################################### # 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 17018 _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 '2D 1H-15N HSQC' . . . 17018 1 2 '3D HNCACB' . . . 17018 1 3 '2D 1H-13C HSQC' . . . 17018 1 4 '3D CBCA(CO)NH' . . . 17018 1 5 '3D HBHA(CO)NH' . . . 17018 1 6 '3D HCCH-TOCSY' . . . 17018 1 7 '3D 1H-15N NOESY' . . . 17018 1 8 '3D 1H-15N TOCSY' . . . 17018 1 9 '3D 1H-13C NOESY' . . . 17018 1 10 '3D H(CC)(CO)NH-TOCSY' . . . 17018 1 11 '2D (HB)CB(CGCD)HD' . . . 17018 1 12 '2D (HB)CBCGCDCE)HE' . . . 17018 1 15 'CT methyl-methyl-HSQC' . . . 17018 1 16 'CT amide-methyl-HSQC' . . . 17018 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 3 3 HIS HA H 1 4.672 0.002 . 1 . . . . 53 H HA . 17018 1 2 . 1 1 3 3 HIS HB2 H 1 3.169 0.002 . 2 . . . . 53 H HB2 . 17018 1 3 . 1 1 3 3 HIS HB3 H 1 3.117 0.020 . 2 . . . . 53 H HB3 . 17018 1 4 . 1 1 3 3 HIS HD2 H 1 7.072 0.002 . 1 . . . . 53 H HD2 . 17018 1 5 . 1 1 3 3 HIS HE1 H 1 7.975 0.001 . 1 . . . . 53 H HE1 . 17018 1 6 . 1 1 3 3 HIS C C 13 175.343 0.200 . 1 . . . . 53 H C . 17018 1 7 . 1 1 3 3 HIS CA C 13 56.389 0.009 . 1 . . . . 53 H CA . 17018 1 8 . 1 1 3 3 HIS CB C 13 30.539 0.028 . 1 . . . . 53 H CB . 17018 1 9 . 1 1 3 3 HIS CD2 C 13 119.934 0.004 . 1 . . . . 53 H CD2 . 17018 1 10 . 1 1 3 3 HIS CE1 C 13 138.159 0.031 . 1 . . . . 53 H CE1 . 17018 1 11 . 1 1 4 4 MET H H 1 8.425 0.004 . 1 . . . . 54 M HN . 17018 1 12 . 1 1 4 4 MET HA H 1 4.468 0.002 . 1 . . . . 54 M HA . 17018 1 13 . 1 1 4 4 MET HB2 H 1 2.105 0.007 . 2 . . . . 54 M HB2 . 17018 1 14 . 1 1 4 4 MET HB3 H 1 1.980 0.003 . 2 . . . . 54 M HB3 . 17018 1 15 . 1 1 4 4 MET HE1 H 1 2.080 0.016 . 1 . . . . 54 M QE . 17018 1 16 . 1 1 4 4 MET HE2 H 1 2.080 0.016 . 1 . . . . 54 M QE . 17018 1 17 . 1 1 4 4 MET HE3 H 1 2.080 0.016 . 1 . . . . 54 M QE . 17018 1 18 . 1 1 4 4 MET HG2 H 1 2.542 0.012 . 2 . . . . 54 M HG2 . 17018 1 19 . 1 1 4 4 MET HG3 H 1 2.466 0.016 . 2 . . . . 54 M HG3 . 17018 1 20 . 1 1 4 4 MET C C 13 176.559 0.200 . 1 . . . . 54 M C . 17018 1 21 . 1 1 4 4 MET CA C 13 55.589 0.041 . 1 . . . . 54 M CA . 17018 1 22 . 1 1 4 4 MET CB C 13 32.681 0.049 . 1 . . . . 54 M CB . 17018 1 23 . 1 1 4 4 MET CE C 13 16.921 0.044 . 1 . . . . 54 M CE . 17018 1 24 . 1 1 4 4 MET CG C 13 31.956 0.032 . 1 . . . . 54 M CG . 17018 1 25 . 1 1 4 4 MET N N 15 122.110 0.044 . 1 . . . . 54 M N . 17018 1 26 . 1 1 5 5 GLY H H 1 8.437 0.004 . 1 . . . . 55 G HN . 17018 1 27 . 1 1 5 5 GLY HA2 H 1 3.972 0.002 . 2 . . . . 55 G QA . 17018 1 28 . 1 1 5 5 GLY HA3 H 1 3.972 0.002 . 2 . . . . 55 G QA . 17018 1 29 . 1 1 5 5 GLY C C 13 173.855 0.200 . 1 . . . . 55 G C . 17018 1 30 . 1 1 5 5 GLY CA C 13 45.293 0.018 . 1 . . . . 55 G CA . 17018 1 31 . 1 1 5 5 GLY N N 15 110.147 0.007 . 1 . . . . 55 G N . 17018 1 32 . 1 1 6 6 LYS H H 1 8.146 0.003 . 1 . . . . 56 K HN . 17018 1 33 . 1 1 6 6 LYS HA H 1 4.359 0.004 . 1 . . . . 56 K HA . 17018 1 34 . 1 1 6 6 LYS HB2 H 1 1.822 0.008 . 2 . . . . 56 K HB2 . 17018 1 35 . 1 1 6 6 LYS HB3 H 1 1.687 0.002 . 2 . . . . 56 K HB3 . 17018 1 36 . 1 1 6 6 LYS HE2 H 1 2.913 0.020 . 2 . . . . 56 K QE . 17018 1 37 . 1 1 6 6 LYS HE3 H 1 2.913 0.020 . 2 . . . . 56 K QE . 17018 1 38 . 1 1 6 6 LYS HG2 H 1 1.350 0.016 . 2 . . . . 56 K QG . 17018 1 39 . 1 1 6 6 LYS HG3 H 1 1.350 0.016 . 2 . . . . 56 K QG . 17018 1 40 . 1 1 6 6 LYS CA C 13 56.205 0.006 . 1 . . . . 56 K CA . 17018 1 41 . 1 1 6 6 LYS CB C 13 33.310 0.054 . 1 . . . . 56 K CB . 17018 1 42 . 1 1 6 6 LYS CD C 13 29.298 0.200 . 1 . . . . 56 K CD . 17018 1 43 . 1 1 6 6 LYS CE C 13 42.198 0.200 . 1 . . . . 56 K CE . 17018 1 44 . 1 1 6 6 LYS CG C 13 24.810 0.044 . 1 . . . . 56 K CG . 17018 1 45 . 1 1 6 6 LYS N N 15 121.097 0.034 . 1 . . . . 56 K N . 17018 1 46 . 1 1 7 7 LYS H H 1 8.337 0.003 . 1 . . . . 57 K HN . 17018 1 47 . 1 1 7 7 LYS HA H 1 4.250 0.005 . 1 . . . . 57 K HA . 17018 1 48 . 1 1 7 7 LYS HB2 H 1 1.656 0.007 . 2 . . . . 57 K QB . 17018 1 49 . 1 1 7 7 LYS HB3 H 1 1.656 0.007 . 2 . . . . 57 K QB . 17018 1 50 . 1 1 7 7 LYS HD2 H 1 1.534 0.014 . 2 . . . . 57 K QD . 17018 1 51 . 1 1 7 7 LYS HD3 H 1 1.534 0.014 . 2 . . . . 57 K QD . 17018 1 52 . 1 1 7 7 LYS HE2 H 1 2.751 0.001 . 2 . . . . 57 K HE2 . 17018 1 53 . 1 1 7 7 LYS HE3 H 1 2.714 0.009 . 2 . . . . 57 K HE3 . 17018 1 54 . 1 1 7 7 LYS HG2 H 1 1.206 0.009 . 2 . . . . 57 K HG2 . 17018 1 55 . 1 1 7 7 LYS HG3 H 1 1.048 0.009 . 2 . . . . 57 K HG3 . 17018 1 56 . 1 1 7 7 LYS C C 13 175.074 0.200 . 1 . . . . 57 K C . 17018 1 57 . 1 1 7 7 LYS CA C 13 56.432 0.033 . 1 . . . . 57 K CA . 17018 1 58 . 1 1 7 7 LYS CB C 13 33.485 0.049 . 1 . . . . 57 K CB . 17018 1 59 . 1 1 7 7 LYS CD C 13 29.019 0.068 . 1 . . . . 57 K CD . 17018 1 60 . 1 1 7 7 LYS CE C 13 42.163 0.015 . 1 . . . . 57 K CE . 17018 1 61 . 1 1 7 7 LYS CG C 13 24.864 0.035 . 1 . . . . 57 K CG . 17018 1 62 . 1 1 7 7 LYS N N 15 123.076 0.133 . 1 . . . . 57 K N . 17018 1 63 . 1 1 8 8 CYS H H 1 8.231 0.004 . 1 . . . . 58 C HN . 17018 1 64 . 1 1 8 8 CYS HA H 1 4.563 0.004 . 1 . . . . 58 C HA . 17018 1 65 . 1 1 8 8 CYS HB2 H 1 2.880 0.004 . 2 . . . . 58 C QB . 17018 1 66 . 1 1 8 8 CYS HB3 H 1 2.880 0.004 . 2 . . . . 58 C QB . 17018 1 67 . 1 1 8 8 CYS C C 13 175.565 0.200 . 1 . . . . 58 C C . 17018 1 68 . 1 1 8 8 CYS CA C 13 59.554 0.012 . 1 . . . . 58 C CA . 17018 1 69 . 1 1 8 8 CYS CB C 13 29.301 0.029 . 1 . . . . 58 C CB . 17018 1 70 . 1 1 8 8 CYS N N 15 124.268 0.027 . 1 . . . . 58 C N . 17018 1 71 . 1 1 9 9 TYR H H 1 8.397 0.004 . 1 . . . . 59 Y HN . 17018 1 72 . 1 1 9 9 TYR HA H 1 4.619 0.005 . 1 . . . . 59 Y HA . 17018 1 73 . 1 1 9 9 TYR HB2 H 1 3.172 0.004 . 2 . . . . 59 Y HB2 . 17018 1 74 . 1 1 9 9 TYR HB3 H 1 2.381 0.004 . 2 . . . . 59 Y HB3 . 17018 1 75 . 1 1 9 9 TYR HD1 H 1 7.147 0.003 . 3 . . . . 59 Y QD . 17018 1 76 . 1 1 9 9 TYR HD2 H 1 7.147 0.003 . 3 . . . . 59 Y QD . 17018 1 77 . 1 1 9 9 TYR HE1 H 1 6.838 0.009 . 3 . . . . 59 Y QE . 17018 1 78 . 1 1 9 9 TYR HE2 H 1 6.838 0.009 . 3 . . . . 59 Y QE . 17018 1 79 . 1 1 9 9 TYR C C 13 175.096 0.200 . 1 . . . . 59 Y C . 17018 1 80 . 1 1 9 9 TYR CA C 13 59.276 0.058 . 1 . . . . 59 Y CA . 17018 1 81 . 1 1 9 9 TYR CB C 13 37.718 0.039 . 1 . . . . 59 Y CB . 17018 1 82 . 1 1 9 9 TYR CD1 C 13 133.433 0.045 . 3 . . . . 59 Y CD1 . 17018 1 83 . 1 1 9 9 TYR CE1 C 13 118.182 0.037 . 3 . . . . 59 Y CE1 . 17018 1 84 . 1 1 9 9 TYR N N 15 126.773 0.028 . 1 . . . . 59 Y N . 17018 1 85 . 1 1 10 10 LYS H H 1 9.194 0.004 . 1 . . . . 60 K HN . 17018 1 86 . 1 1 10 10 LYS HA H 1 3.984 0.005 . 1 . . . . 60 K HA . 17018 1 87 . 1 1 10 10 LYS HB2 H 1 1.902 0.014 . 2 . . . . 60 K HB2 . 17018 1 88 . 1 1 10 10 LYS HB3 H 1 1.855 0.012 . 2 . . . . 60 K HB3 . 17018 1 89 . 1 1 10 10 LYS HD2 H 1 1.716 0.004 . 2 . . . . 60 K HD2 . 17018 1 90 . 1 1 10 10 LYS HD3 H 1 1.584 0.010 . 2 . . . . 60 K HD3 . 17018 1 91 . 1 1 10 10 LYS HE2 H 1 2.986 0.005 . 2 . . . . 60 K QE . 17018 1 92 . 1 1 10 10 LYS HE3 H 1 2.986 0.005 . 2 . . . . 60 K QE . 17018 1 93 . 1 1 10 10 LYS HG2 H 1 1.421 0.012 . 2 . . . . 60 K HG2 . 17018 1 94 . 1 1 10 10 LYS HG3 H 1 1.300 0.009 . 2 . . . . 60 K HG3 . 17018 1 95 . 1 1 10 10 LYS C C 13 178.263 0.200 . 1 . . . . 60 K C . 17018 1 96 . 1 1 10 10 LYS CA C 13 61.898 0.041 . 1 . . . . 60 K CA . 17018 1 97 . 1 1 10 10 LYS CB C 13 33.787 0.045 . 1 . . . . 60 K CB . 17018 1 98 . 1 1 10 10 LYS CD C 13 29.708 0.101 . 1 . . . . 60 K CD . 17018 1 99 . 1 1 10 10 LYS CE C 13 42.228 0.009 . 1 . . . . 60 K CE . 17018 1 100 . 1 1 10 10 LYS CG C 13 25.031 0.048 . 1 . . . . 60 K CG . 17018 1 101 . 1 1 10 10 LYS N N 15 123.987 0.036 . 1 . . . . 60 K N . 17018 1 102 . 1 1 11 11 LEU H H 1 8.396 0.004 . 1 . . . . 61 L HN . 17018 1 103 . 1 1 11 11 LEU HA H 1 4.164 0.004 . 1 . . . . 61 L HA . 17018 1 104 . 1 1 11 11 LEU HB2 H 1 1.718 0.005 . 2 . . . . 61 L HB2 . 17018 1 105 . 1 1 11 11 LEU HB3 H 1 1.574 0.003 . 2 . . . . 61 L HB3 . 17018 1 106 . 1 1 11 11 LEU HD11 H 1 0.944 0.013 . . . . . . 61 L QD1 . 17018 1 107 . 1 1 11 11 LEU HD12 H 1 0.944 0.013 . . . . . . 61 L QD1 . 17018 1 108 . 1 1 11 11 LEU HD13 H 1 0.944 0.013 . . . . . . 61 L QD1 . 17018 1 109 . 1 1 11 11 LEU HD21 H 1 0.893 0.009 . . . . . . 61 L QD2 . 17018 1 110 . 1 1 11 11 LEU HD22 H 1 0.893 0.009 . . . . . . 61 L QD2 . 17018 1 111 . 1 1 11 11 LEU HD23 H 1 0.893 0.009 . . . . . . 61 L QD2 . 17018 1 112 . 1 1 11 11 LEU HG H 1 1.687 0.013 . 1 . . . . 61 L HG . 17018 1 113 . 1 1 11 11 LEU C C 13 179.937 0.200 . 1 . . . . 61 L C . 17018 1 114 . 1 1 11 11 LEU CA C 13 58.029 0.038 . 1 . . . . 61 L CA . 17018 1 115 . 1 1 11 11 LEU CB C 13 41.271 0.027 . 1 . . . . 61 L CB . 17018 1 116 . 1 1 11 11 LEU CD1 C 13 24.849 0.043 . 2 . . . . 61 L CD1 . 17018 1 117 . 1 1 11 11 LEU CD2 C 13 23.647 0.046 . 2 . . . . 61 L CD2 . 17018 1 118 . 1 1 11 11 LEU CG C 13 27.406 0.052 . 1 . . . . 61 L CG . 17018 1 119 . 1 1 11 11 LEU N N 15 118.211 0.033 . 1 . . . . 61 L N . 17018 1 120 . 1 1 12 12 GLU H H 1 8.610 0.003 . 1 . . . . 62 E HN . 17018 1 121 . 1 1 12 12 GLU HA H 1 3.976 0.003 . 1 . . . . 62 E HA . 17018 1 122 . 1 1 12 12 GLU HB2 H 1 2.127 0.005 . 2 . . . . 62 E HB2 . 17018 1 123 . 1 1 12 12 GLU HB3 H 1 1.943 0.007 . 2 . . . . 62 E HB3 . 17018 1 124 . 1 1 12 12 GLU HG2 H 1 2.432 0.004 . 2 . . . . 62 E HG2 . 17018 1 125 . 1 1 12 12 GLU HG3 H 1 2.273 0.002 . 2 . . . . 62 E HG3 . 17018 1 126 . 1 1 12 12 GLU C C 13 178.716 0.200 . 1 . . . . 62 E C . 17018 1 127 . 1 1 12 12 GLU CA C 13 60.087 0.015 . 1 . . . . 62 E CA . 17018 1 128 . 1 1 12 12 GLU CB C 13 29.243 0.031 . 1 . . . . 62 E CB . 17018 1 129 . 1 1 12 12 GLU CG C 13 36.294 0.018 . 1 . . . . 62 E CG . 17018 1 130 . 1 1 12 12 GLU N N 15 122.250 0.033 . 1 . . . . 62 E N . 17018 1 131 . 1 1 13 13 ASN H H 1 8.980 0.003 . 1 . . . . 63 N HN . 17018 1 132 . 1 1 13 13 ASN HA H 1 4.400 0.004 . 1 . . . . 63 N HA . 17018 1 133 . 1 1 13 13 ASN HB2 H 1 3.102 0.008 . 2 . . . . 63 N HB2 . 17018 1 134 . 1 1 13 13 ASN HB3 H 1 2.458 0.005 . 2 . . . . 63 N HB3 . 17018 1 135 . 1 1 13 13 ASN HD21 H 1 6.880 0.002 . 2 . . . . 63 N HD21 . 17018 1 136 . 1 1 13 13 ASN HD22 H 1 6.376 0.004 . 2 . . . . 63 N HD22 . 17018 1 137 . 1 1 13 13 ASN C C 13 179.713 0.200 . 1 . . . . 63 N C . 17018 1 138 . 1 1 13 13 ASN CA C 13 55.223 0.058 . 1 . . . . 63 N CA . 17018 1 139 . 1 1 13 13 ASN CB C 13 37.423 0.028 . 1 . . . . 63 N CB . 17018 1 140 . 1 1 13 13 ASN N N 15 118.702 0.023 . 1 . . . . 63 N N . 17018 1 141 . 1 1 13 13 ASN ND2 N 15 103.394 0.040 . 1 . . . . 63 N ND2 . 17018 1 142 . 1 1 14 14 GLU H H 1 8.291 0.004 . 1 . . . . 64 E HN . 17018 1 143 . 1 1 14 14 GLU HA H 1 4.143 0.004 . 1 . . . . 64 E HA . 17018 1 144 . 1 1 14 14 GLU HB2 H 1 2.318 0.004 . 2 . . . . 64 E HB2 . 17018 1 145 . 1 1 14 14 GLU HB3 H 1 2.144 0.008 . 2 . . . . 64 E HB3 . 17018 1 146 . 1 1 14 14 GLU HG2 H 1 2.682 0.008 . 2 . . . . 64 E HG2 . 17018 1 147 . 1 1 14 14 GLU HG3 H 1 2.305 0.016 . 2 . . . . 64 E HG3 . 17018 1 148 . 1 1 14 14 GLU C C 13 179.094 0.200 . 1 . . . . 64 E C . 17018 1 149 . 1 1 14 14 GLU CA C 13 60.237 0.024 . 1 . . . . 64 E CA . 17018 1 150 . 1 1 14 14 GLU CB C 13 29.355 0.039 . 1 . . . . 64 E CB . 17018 1 151 . 1 1 14 14 GLU CG C 13 37.032 0.045 . 1 . . . . 64 E CG . 17018 1 152 . 1 1 14 14 GLU N N 15 123.781 0.020 . 1 . . . . 64 E N . 17018 1 153 . 1 1 15 15 LYS H H 1 7.852 0.004 . 1 . . . . 65 K HN . 17018 1 154 . 1 1 15 15 LYS HA H 1 4.174 0.002 . 1 . . . . 65 K HA . 17018 1 155 . 1 1 15 15 LYS HB2 H 1 2.020 0.003 . 2 . . . . 65 K QB . 17018 1 156 . 1 1 15 15 LYS HB3 H 1 2.020 0.003 . 2 . . . . 65 K QB . 17018 1 157 . 1 1 15 15 LYS HD2 H 1 1.473 0.004 . 2 . . . . 65 K QD . 17018 1 158 . 1 1 15 15 LYS HD3 H 1 1.473 0.004 . 2 . . . . 65 K QD . 17018 1 159 . 1 1 15 15 LYS HE2 H 1 2.967 0.002 . 2 . . . . 65 K QE . 17018 1 160 . 1 1 15 15 LYS HE3 H 1 2.967 0.002 . 2 . . . . 65 K QE . 17018 1 161 . 1 1 15 15 LYS HG2 H 1 1.623 0.003 . 2 . . . . 65 K HG2 . 17018 1 162 . 1 1 15 15 LYS HG3 H 1 1.481 0.005 . 2 . . . . 65 K HG3 . 17018 1 163 . 1 1 15 15 LYS C C 13 179.908 0.200 . 1 . . . . 65 K C . 17018 1 164 . 1 1 15 15 LYS CA C 13 59.392 0.038 . 1 . . . . 65 K CA . 17018 1 165 . 1 1 15 15 LYS CB C 13 32.104 0.023 . 1 . . . . 65 K CB . 17018 1 166 . 1 1 15 15 LYS CD C 13 29.257 0.017 . 1 . . . . 65 K CD . 17018 1 167 . 1 1 15 15 LYS CE C 13 42.201 0.200 . 1 . . . . 65 K CE . 17018 1 168 . 1 1 15 15 LYS CG C 13 24.803 0.055 . 1 . . . . 65 K CG . 17018 1 169 . 1 1 15 15 LYS N N 15 120.629 0.025 . 1 . . . . 65 K N . 17018 1 170 . 1 1 16 16 LEU H H 1 8.547 0.005 . 1 . . . . 66 L HN . 17018 1 171 . 1 1 16 16 LEU HA H 1 4.115 0.003 . 1 . . . . 66 L HA . 17018 1 172 . 1 1 16 16 LEU HB2 H 1 1.937 0.011 . 2 . . . . 66 L HB2 . 17018 1 173 . 1 1 16 16 LEU HB3 H 1 1.180 0.010 . 2 . . . . 66 L HB3 . 17018 1 174 . 1 1 16 16 LEU HD11 H 1 0.905 0.011 . . . . . . 66 L QD1 . 17018 1 175 . 1 1 16 16 LEU HD12 H 1 0.905 0.011 . . . . . . 66 L QD1 . 17018 1 176 . 1 1 16 16 LEU HD13 H 1 0.905 0.011 . . . . . . 66 L QD1 . 17018 1 177 . 1 1 16 16 LEU HD21 H 1 0.796 0.008 . . . . . . 66 L QD2 . 17018 1 178 . 1 1 16 16 LEU HD22 H 1 0.796 0.008 . . . . . . 66 L QD2 . 17018 1 179 . 1 1 16 16 LEU HD23 H 1 0.796 0.008 . . . . . . 66 L QD2 . 17018 1 180 . 1 1 16 16 LEU HG H 1 1.879 0.008 . 1 . . . . 66 L HG . 17018 1 181 . 1 1 16 16 LEU C C 13 178.780 0.200 . 1 . . . . 66 L C . 17018 1 182 . 1 1 16 16 LEU CA C 13 57.827 0.029 . 1 . . . . 66 L CA . 17018 1 183 . 1 1 16 16 LEU CB C 13 43.735 0.028 . 1 . . . . 66 L CB . 17018 1 184 . 1 1 16 16 LEU CD1 C 13 27.239 0.035 . 2 . . . . 66 L CD1 . 17018 1 185 . 1 1 16 16 LEU CD2 C 13 22.940 0.052 . 2 . . . . 66 L CD2 . 17018 1 186 . 1 1 16 16 LEU CG C 13 27.275 0.035 . 1 . . . . 66 L CG . 17018 1 187 . 1 1 16 16 LEU N N 15 120.133 0.022 . 1 . . . . 66 L N . 17018 1 188 . 1 1 17 17 PHE H H 1 8.573 0.003 . 1 . . . . 67 F HN . 17018 1 189 . 1 1 17 17 PHE HA H 1 4.087 0.005 . 1 . . . . 67 F HA . 17018 1 190 . 1 1 17 17 PHE HB2 H 1 3.243 0.003 . 2 . . . . 67 F QB . 17018 1 191 . 1 1 17 17 PHE HB3 H 1 3.243 0.003 . 2 . . . . 67 F QB . 17018 1 192 . 1 1 17 17 PHE HD1 H 1 7.339 0.005 . 3 . . . . 67 F QD . 17018 1 193 . 1 1 17 17 PHE HD2 H 1 7.339 0.005 . 3 . . . . 67 F QD . 17018 1 194 . 1 1 17 17 PHE HE1 H 1 7.219 0.003 . 3 . . . . 67 F QE . 17018 1 195 . 1 1 17 17 PHE HE2 H 1 7.219 0.003 . 3 . . . . 67 F QE . 17018 1 196 . 1 1 17 17 PHE HZ H 1 7.100 0.009 . 1 . . . . 67 F HZ . 17018 1 197 . 1 1 17 17 PHE C C 13 177.172 0.200 . 1 . . . . 67 F C . 17018 1 198 . 1 1 17 17 PHE CA C 13 62.542 0.026 . 1 . . . . 67 F CA . 17018 1 199 . 1 1 17 17 PHE CB C 13 39.328 0.029 . 1 . . . . 67 F CB . 17018 1 200 . 1 1 17 17 PHE CD1 C 13 131.978 0.088 . 3 . . . . 67 F CD1 . 17018 1 201 . 1 1 17 17 PHE CE1 C 13 130.529 0.122 . 3 . . . . 67 F CE1 . 17018 1 202 . 1 1 17 17 PHE CZ C 13 129.449 0.041 . 1 . . . . 67 F CZ . 17018 1 203 . 1 1 17 17 PHE N N 15 119.568 0.042 . 1 . . . . 67 F N . 17018 1 204 . 1 1 18 18 GLU H H 1 8.308 0.003 . 1 . . . . 68 E HN . 17018 1 205 . 1 1 18 18 GLU HA H 1 4.007 0.002 . 1 . . . . 68 E HA . 17018 1 206 . 1 1 18 18 GLU HB2 H 1 2.277 0.010 . 2 . . . . 68 E QB . 17018 1 207 . 1 1 18 18 GLU HB3 H 1 2.277 0.010 . 2 . . . . 68 E QB . 17018 1 208 . 1 1 18 18 GLU HG2 H 1 2.553 0.010 . 2 . . . . 68 E HG2 . 17018 1 209 . 1 1 18 18 GLU HG3 H 1 2.444 0.014 . 2 . . . . 68 E HG3 . 17018 1 210 . 1 1 18 18 GLU C C 13 179.207 0.200 . 1 . . . . 68 E C . 17018 1 211 . 1 1 18 18 GLU CA C 13 59.825 0.029 . 1 . . . . 68 E CA . 17018 1 212 . 1 1 18 18 GLU CB C 13 29.172 0.043 . 1 . . . . 68 E CB . 17018 1 213 . 1 1 18 18 GLU CG C 13 36.360 0.047 . 1 . . . . 68 E CG . 17018 1 214 . 1 1 18 18 GLU N N 15 118.609 0.026 . 1 . . . . 68 E N . 17018 1 215 . 1 1 19 19 GLU H H 1 8.164 0.003 . 1 . . . . 69 E HN . 17018 1 216 . 1 1 19 19 GLU HA H 1 4.005 0.003 . 1 . . . . 69 E HA . 17018 1 217 . 1 1 19 19 GLU HB2 H 1 2.310 0.012 . 2 . . . . 69 E HB2 . 17018 1 218 . 1 1 19 19 GLU HB3 H 1 2.123 0.017 . 2 . . . . 69 E HB3 . 17018 1 219 . 1 1 19 19 GLU HG2 H 1 2.538 0.006 . 2 . . . . 69 E HG2 . 17018 1 220 . 1 1 19 19 GLU HG3 H 1 2.145 0.003 . 2 . . . . 69 E HG3 . 17018 1 221 . 1 1 19 19 GLU C C 13 179.744 0.200 . 1 . . . . 69 E C . 17018 1 222 . 1 1 19 19 GLU CA C 13 59.999 0.021 . 1 . . . . 69 E CA . 17018 1 223 . 1 1 19 19 GLU CB C 13 29.575 0.051 . 1 . . . . 69 E CB . 17018 1 224 . 1 1 19 19 GLU CG C 13 36.811 0.124 . 1 . . . . 69 E CG . 17018 1 225 . 1 1 19 19 GLU N N 15 120.428 0.050 . 1 . . . . 69 E N . 17018 1 226 . 1 1 20 20 PHE H H 1 8.459 0.003 . 1 . . . . 70 F HN . 17018 1 227 . 1 1 20 20 PHE HA H 1 4.072 0.004 . 1 . . . . 70 F HA . 17018 1 228 . 1 1 20 20 PHE HB2 H 1 2.964 0.010 . 2 . . . . 70 F QB . 17018 1 229 . 1 1 20 20 PHE HB3 H 1 2.964 0.010 . 2 . . . . 70 F QB . 17018 1 230 . 1 1 20 20 PHE HD1 H 1 6.796 0.003 . 3 . . . . 70 F QD . 17018 1 231 . 1 1 20 20 PHE HD2 H 1 6.796 0.003 . 3 . . . . 70 F QD . 17018 1 232 . 1 1 20 20 PHE HE1 H 1 6.934 0.004 . 3 . . . . 70 F QE . 17018 1 233 . 1 1 20 20 PHE HE2 H 1 6.934 0.004 . 3 . . . . 70 F QE . 17018 1 234 . 1 1 20 20 PHE HZ H 1 6.795 0.002 . 1 . . . . 70 F HZ . 17018 1 235 . 1 1 20 20 PHE C C 13 177.375 0.200 . 1 . . . . 70 F C . 17018 1 236 . 1 1 20 20 PHE CA C 13 61.745 0.019 . 1 . . . . 70 F CA . 17018 1 237 . 1 1 20 20 PHE CB C 13 38.608 0.051 . 1 . . . . 70 F CB . 17018 1 238 . 1 1 20 20 PHE CD1 C 13 130.843 0.112 . 3 . . . . 70 F CD1 . 17018 1 239 . 1 1 20 20 PHE CE1 C 13 131.293 0.070 . 3 . . . . 70 F CE1 . 17018 1 240 . 1 1 20 20 PHE CZ C 13 128.751 0.094 . 1 . . . . 70 F CZ . 17018 1 241 . 1 1 20 20 PHE N N 15 121.555 0.028 . 1 . . . . 70 F N . 17018 1 242 . 1 1 21 21 LEU H H 1 8.916 0.002 . 1 . . . . 71 L HN . 17018 1 243 . 1 1 21 21 LEU HA H 1 3.569 0.005 . 1 . . . . 71 L HA . 17018 1 244 . 1 1 21 21 LEU HB2 H 1 1.681 0.010 . 2 . . . . 71 L HB2 . 17018 1 245 . 1 1 21 21 LEU HB3 H 1 1.436 0.009 . 2 . . . . 71 L HB3 . 17018 1 246 . 1 1 21 21 LEU HD11 H 1 0.724 0.008 . . . . . . 71 L QD1 . 17018 1 247 . 1 1 21 21 LEU HD12 H 1 0.724 0.008 . . . . . . 71 L QD1 . 17018 1 248 . 1 1 21 21 LEU HD13 H 1 0.724 0.008 . . . . . . 71 L QD1 . 17018 1 249 . 1 1 21 21 LEU HD21 H 1 0.578 0.008 . . . . . . 71 L QD2 . 17018 1 250 . 1 1 21 21 LEU HD22 H 1 0.578 0.008 . . . . . . 71 L QD2 . 17018 1 251 . 1 1 21 21 LEU HD23 H 1 0.578 0.008 . . . . . . 71 L QD2 . 17018 1 252 . 1 1 21 21 LEU HG H 1 1.333 0.006 . 1 . . . . 71 L HG . 17018 1 253 . 1 1 21 21 LEU C C 13 179.348 0.200 . 1 . . . . 71 L C . 17018 1 254 . 1 1 21 21 LEU CA C 13 57.741 0.022 . 1 . . . . 71 L CA . 17018 1 255 . 1 1 21 21 LEU CB C 13 40.938 0.045 . 1 . . . . 71 L CB . 17018 1 256 . 1 1 21 21 LEU CD1 C 13 25.771 0.028 . 2 . . . . 71 L CD1 . 17018 1 257 . 1 1 21 21 LEU CD2 C 13 23.889 0.073 . 2 . . . . 71 L CD2 . 17018 1 258 . 1 1 21 21 LEU CG C 13 26.878 0.033 . 1 . . . . 71 L CG . 17018 1 259 . 1 1 21 21 LEU N N 15 122.444 0.025 . 1 . . . . 71 L N . 17018 1 260 . 1 1 22 22 GLU H H 1 8.267 0.003 . 1 . . . . 72 E HN . 17018 1 261 . 1 1 22 22 GLU HA H 1 3.870 0.001 . 1 . . . . 72 E HA . 17018 1 262 . 1 1 22 22 GLU HB2 H 1 2.079 0.016 . 2 . . . . 72 E QB . 17018 1 263 . 1 1 22 22 GLU HB3 H 1 2.079 0.016 . 2 . . . . 72 E QB . 17018 1 264 . 1 1 22 22 GLU HG2 H 1 2.341 0.009 . 2 . . . . 72 E QG . 17018 1 265 . 1 1 22 22 GLU HG3 H 1 2.341 0.009 . 2 . . . . 72 E QG . 17018 1 266 . 1 1 22 22 GLU C C 13 179.097 0.200 . 1 . . . . 72 E C . 17018 1 267 . 1 1 22 22 GLU CA C 13 59.641 0.026 . 1 . . . . 72 E CA . 17018 1 268 . 1 1 22 22 GLU CB C 13 29.135 0.046 . 1 . . . . 72 E CB . 17018 1 269 . 1 1 22 22 GLU CG C 13 36.122 0.037 . 1 . . . . 72 E CG . 17018 1 270 . 1 1 22 22 GLU N N 15 119.517 0.035 . 1 . . . . 72 E N . 17018 1 271 . 1 1 23 23 LEU H H 1 7.359 0.003 . 1 . . . . 73 L HN . 17018 1 272 . 1 1 23 23 LEU HA H 1 4.074 0.009 . 1 . . . . 73 L HA . 17018 1 273 . 1 1 23 23 LEU HB2 H 1 1.664 0.011 . 2 . . . . 73 L QB . 17018 1 274 . 1 1 23 23 LEU HB3 H 1 1.664 0.011 . 2 . . . . 73 L QB . 17018 1 275 . 1 1 23 23 LEU HD11 H 1 0.868 0.004 . . . . . . 73 L QD1 . 17018 1 276 . 1 1 23 23 LEU HD12 H 1 0.868 0.004 . . . . . . 73 L QD1 . 17018 1 277 . 1 1 23 23 LEU HD13 H 1 0.868 0.004 . . . . . . 73 L QD1 . 17018 1 278 . 1 1 23 23 LEU HD21 H 1 0.742 0.008 . . . . . . 73 L QD2 . 17018 1 279 . 1 1 23 23 LEU HD22 H 1 0.742 0.008 . . . . . . 73 L QD2 . 17018 1 280 . 1 1 23 23 LEU HD23 H 1 0.742 0.008 . . . . . . 73 L QD2 . 17018 1 281 . 1 1 23 23 LEU HG H 1 1.607 0.003 . 1 . . . . 73 L HG . 17018 1 282 . 1 1 23 23 LEU C C 13 179.698 0.200 . 1 . . . . 73 L C . 17018 1 283 . 1 1 23 23 LEU CA C 13 58.401 0.020 . 1 . . . . 73 L CA . 17018 1 284 . 1 1 23 23 LEU CB C 13 41.427 0.042 . 1 . . . . 73 L CB . 17018 1 285 . 1 1 23 23 LEU CD1 C 13 25.859 0.041 . 2 . . . . 73 L CD1 . 17018 1 286 . 1 1 23 23 LEU CD2 C 13 25.341 0.072 . 2 . . . . 73 L CD2 . 17018 1 287 . 1 1 23 23 LEU CG C 13 27.036 0.055 . 1 . . . . 73 L CG . 17018 1 288 . 1 1 23 23 LEU N N 15 121.022 0.025 . 1 . . . . 73 L N . 17018 1 289 . 1 1 24 24 CYS H H 1 7.937 0.003 . 1 . . . . 74 C HN . 17018 1 290 . 1 1 24 24 CYS HA H 1 3.719 0.003 . 1 . . . . 74 C HA . 17018 1 291 . 1 1 24 24 CYS HB2 H 1 2.973 0.009 . 2 . . . . 74 C HB2 . 17018 1 292 . 1 1 24 24 CYS HB3 H 1 2.060 0.008 . 2 . . . . 74 C HB3 . 17018 1 293 . 1 1 24 24 CYS HG H 1 1.751 0.012 . 1 . . . . 74 C HG . 17018 1 294 . 1 1 24 24 CYS C C 13 178.542 0.200 . 1 . . . . 74 C C . 17018 1 295 . 1 1 24 24 CYS CA C 13 63.907 0.028 . 1 . . . . 74 C CA . 17018 1 296 . 1 1 24 24 CYS CB C 13 26.769 0.046 . 1 . . . . 74 C CB . 17018 1 297 . 1 1 24 24 CYS N N 15 116.405 0.029 . 1 . . . . 74 C N . 17018 1 298 . 1 1 25 25 LYS H H 1 8.796 0.003 . 1 . . . . 75 K HN . 17018 1 299 . 1 1 25 25 LYS HA H 1 3.785 0.004 . 1 . . . . 75 K HA . 17018 1 300 . 1 1 25 25 LYS HB2 H 1 1.889 0.011 . 2 . . . . 75 K QB . 17018 1 301 . 1 1 25 25 LYS HB3 H 1 1.889 0.011 . 2 . . . . 75 K QB . 17018 1 302 . 1 1 25 25 LYS HD2 H 1 1.676 0.004 . 2 . . . . 75 K HD2 . 17018 1 303 . 1 1 25 25 LYS HD3 H 1 1.611 0.005 . 2 . . . . 75 K HD3 . 17018 1 304 . 1 1 25 25 LYS HE2 H 1 2.939 0.010 . 2 . . . . 75 K HE2 . 17018 1 305 . 1 1 25 25 LYS HE3 H 1 2.764 0.005 . 2 . . . . 75 K HE3 . 17018 1 306 . 1 1 25 25 LYS HG2 H 1 1.589 0.012 . 2 . . . . 75 K HG2 . 17018 1 307 . 1 1 25 25 LYS HG3 H 1 1.448 0.011 . 2 . . . . 75 K HG3 . 17018 1 308 . 1 1 25 25 LYS C C 13 178.236 0.200 . 1 . . . . 75 K C . 17018 1 309 . 1 1 25 25 LYS CA C 13 60.136 0.009 . 1 . . . . 75 K CA . 17018 1 310 . 1 1 25 25 LYS CB C 13 32.604 0.033 . 1 . . . . 75 K CB . 17018 1 311 . 1 1 25 25 LYS CD C 13 29.913 0.032 . 1 . . . . 75 K CD . 17018 1 312 . 1 1 25 25 LYS CE C 13 42.171 0.018 . 1 . . . . 75 K CE . 17018 1 313 . 1 1 25 25 LYS CG C 13 26.362 0.057 . 1 . . . . 75 K CG . 17018 1 314 . 1 1 25 25 LYS N N 15 123.191 0.027 . 1 . . . . 75 K N . 17018 1 315 . 1 1 26 26 MET H H 1 7.383 0.003 . 1 . . . . 76 M HN . 17018 1 316 . 1 1 26 26 MET HA H 1 4.392 0.004 . 1 . . . . 76 M HA . 17018 1 317 . 1 1 26 26 MET HB2 H 1 2.265 0.012 . 2 . . . . 76 M HB2 . 17018 1 318 . 1 1 26 26 MET HB3 H 1 2.218 0.013 . 2 . . . . 76 M HB3 . 17018 1 319 . 1 1 26 26 MET HE1 H 1 2.117 0.011 . 1 . . . . 76 M QE . 17018 1 320 . 1 1 26 26 MET HE2 H 1 2.117 0.011 . 1 . . . . 76 M QE . 17018 1 321 . 1 1 26 26 MET HE3 H 1 2.117 0.011 . 1 . . . . 76 M QE . 17018 1 322 . 1 1 26 26 MET HG2 H 1 2.787 0.011 . 2 . . . . 76 M HG2 . 17018 1 323 . 1 1 26 26 MET HG3 H 1 2.657 0.010 . 2 . . . . 76 M HG3 . 17018 1 324 . 1 1 26 26 MET C C 13 178.173 0.200 . 1 . . . . 76 M C . 17018 1 325 . 1 1 26 26 MET CA C 13 57.261 0.020 . 1 . . . . 76 M CA . 17018 1 326 . 1 1 26 26 MET CB C 13 33.273 0.042 . 1 . . . . 76 M CB . 17018 1 327 . 1 1 26 26 MET CE C 13 16.984 0.039 . 1 . . . . 76 M CE . 17018 1 328 . 1 1 26 26 MET CG C 13 32.070 0.040 . 1 . . . . 76 M CG . 17018 1 329 . 1 1 26 26 MET N N 15 114.669 0.032 . 1 . . . . 76 M N . 17018 1 330 . 1 1 27 27 GLN H H 1 7.584 0.004 . 1 . . . . 77 Q HN . 17018 1 331 . 1 1 27 27 GLN HA H 1 4.676 0.006 . 1 . . . . 77 Q HA . 17018 1 332 . 1 1 27 27 GLN HB2 H 1 2.385 0.011 . 2 . . . . 77 Q HB2 . 17018 1 333 . 1 1 27 27 GLN HB3 H 1 1.713 0.011 . 2 . . . . 77 Q HB3 . 17018 1 334 . 1 1 27 27 GLN HE21 H 1 7.352 0.003 . 2 . . . . 77 Q HE21 . 17018 1 335 . 1 1 27 27 GLN HE22 H 1 6.863 0.002 . 2 . . . . 77 Q HE22 . 17018 1 336 . 1 1 27 27 GLN HG2 H 1 2.387 0.009 . 2 . . . . 77 Q QG . 17018 1 337 . 1 1 27 27 GLN HG3 H 1 2.387 0.009 . 2 . . . . 77 Q QG . 17018 1 338 . 1 1 27 27 GLN C C 13 176.643 0.200 . 1 . . . . 77 Q C . 17018 1 339 . 1 1 27 27 GLN CA C 13 56.550 0.024 . 1 . . . . 77 Q CA . 17018 1 340 . 1 1 27 27 GLN CB C 13 31.056 0.026 . 1 . . . . 77 Q CB . 17018 1 341 . 1 1 27 27 GLN CD C 13 179.344 0.004 . 1 . . . . 77 Q CD . 17018 1 342 . 1 1 27 27 GLN CG C 13 34.216 0.032 . 1 . . . . 77 Q CG . 17018 1 343 . 1 1 27 27 GLN N N 15 114.932 0.034 . 1 . . . . 77 Q N . 17018 1 344 . 1 1 27 27 GLN NE2 N 15 110.786 0.047 . 1 . . . . 77 Q NE2 . 17018 1 345 . 1 1 28 28 THR H H 1 7.565 0.003 . 1 . . . . 78 T HN . 17018 1 346 . 1 1 28 28 THR HA H 1 4.898 0.006 . 1 . . . . 78 T HA . 17018 1 347 . 1 1 28 28 THR HB H 1 4.704 0.005 . 1 . . . . 78 T HB . 17018 1 348 . 1 1 28 28 THR HG21 H 1 1.011 0.009 . 1 . . . . 78 T QG2 . 17018 1 349 . 1 1 28 28 THR HG22 H 1 1.011 0.009 . 1 . . . . 78 T QG2 . 17018 1 350 . 1 1 28 28 THR HG23 H 1 1.011 0.009 . 1 . . . . 78 T QG2 . 17018 1 351 . 1 1 28 28 THR C C 13 175.091 0.200 . 1 . . . . 78 T C . 17018 1 352 . 1 1 28 28 THR CA C 13 60.821 0.029 . 1 . . . . 78 T CA . 17018 1 353 . 1 1 28 28 THR CB C 13 69.134 0.027 . 1 . . . . 78 T CB . 17018 1 354 . 1 1 28 28 THR CG2 C 13 21.459 0.041 . 1 . . . . 78 T CG2 . 17018 1 355 . 1 1 28 28 THR N N 15 109.324 0.034 . 1 . . . . 78 T N . 17018 1 356 . 1 1 29 29 ALA H H 1 7.995 0.003 . 1 . . . . 79 A HN . 17018 1 357 . 1 1 29 29 ALA HA H 1 4.087 0.003 . 1 . . . . 79 A HA . 17018 1 358 . 1 1 29 29 ALA HB1 H 1 1.449 0.009 . 1 . . . . 79 A QB . 17018 1 359 . 1 1 29 29 ALA HB2 H 1 1.449 0.009 . 1 . . . . 79 A QB . 17018 1 360 . 1 1 29 29 ALA HB3 H 1 1.449 0.009 . 1 . . . . 79 A QB . 17018 1 361 . 1 1 29 29 ALA C C 13 178.596 0.200 . 1 . . . . 79 A C . 17018 1 362 . 1 1 29 29 ALA CA C 13 55.169 0.063 . 1 . . . . 79 A CA . 17018 1 363 . 1 1 29 29 ALA CB C 13 18.611 0.046 . 1 . . . . 79 A CB . 17018 1 364 . 1 1 29 29 ALA N N 15 124.306 0.021 . 1 . . . . 79 A N . 17018 1 365 . 1 1 30 30 ASP H H 1 8.558 0.003 . 1 . . . . 80 D HN . 17018 1 366 . 1 1 30 30 ASP HA H 1 4.411 0.002 . 1 . . . . 80 D HA . 17018 1 367 . 1 1 30 30 ASP HB2 H 1 2.551 0.010 . 2 . . . . 80 D QB . 17018 1 368 . 1 1 30 30 ASP HB3 H 1 2.551 0.010 . 2 . . . . 80 D QB . 17018 1 369 . 1 1 30 30 ASP C C 13 175.743 0.200 . 1 . . . . 80 D C . 17018 1 370 . 1 1 30 30 ASP CA C 13 54.582 0.098 . 1 . . . . 80 D CA . 17018 1 371 . 1 1 30 30 ASP CB C 13 39.948 0.033 . 1 . . . . 80 D CB . 17018 1 372 . 1 1 30 30 ASP N N 15 112.663 0.016 . 1 . . . . 80 D N . 17018 1 373 . 1 1 31 31 HIS H H 1 8.076 0.004 . 1 . . . . 81 H HN . 17018 1 374 . 1 1 31 31 HIS HA H 1 5.123 0.003 . 1 . . . . 81 H HA . 17018 1 375 . 1 1 31 31 HIS HB2 H 1 3.301 0.010 . 2 . . . . 81 H HB2 . 17018 1 376 . 1 1 31 31 HIS HB3 H 1 3.139 0.009 . 2 . . . . 81 H HB3 . 17018 1 377 . 1 1 31 31 HIS HD2 H 1 7.052 0.005 . 1 . . . . 81 H HD2 . 17018 1 378 . 1 1 31 31 HIS HE1 H 1 8.327 0.002 . 1 . . . . 81 H HE1 . 17018 1 379 . 1 1 31 31 HIS CA C 13 54.133 0.084 . 1 . . . . 81 H CA . 17018 1 380 . 1 1 31 31 HIS CB C 13 29.581 0.054 . 1 . . . . 81 H CB . 17018 1 381 . 1 1 31 31 HIS CD2 C 13 120.180 0.064 . 1 . . . . 81 H CD2 . 17018 1 382 . 1 1 31 31 HIS CE1 C 13 136.413 0.031 . 1 . . . . 81 H CE1 . 17018 1 383 . 1 1 31 31 HIS N N 15 118.200 0.031 . 1 . . . . 81 H N . 17018 1 384 . 1 1 32 32 PRO HA H 1 4.443 0.006 . 1 . . . . 82 P HA . 17018 1 385 . 1 1 32 32 PRO HB2 H 1 2.410 0.008 . 2 . . . . 82 P HB2 . 17018 1 386 . 1 1 32 32 PRO HB3 H 1 2.041 0.014 . 2 . . . . 82 P HB3 . 17018 1 387 . 1 1 32 32 PRO HD2 H 1 3.700 0.009 . 2 . . . . 82 P HD2 . 17018 1 388 . 1 1 32 32 PRO HD3 H 1 3.477 0.009 . 2 . . . . 82 P HD3 . 17018 1 389 . 1 1 32 32 PRO HG2 H 1 2.049 0.011 . 2 . . . . 82 P QG . 17018 1 390 . 1 1 32 32 PRO HG3 H 1 2.049 0.011 . 2 . . . . 82 P QG . 17018 1 391 . 1 1 32 32 PRO C C 13 177.151 0.200 . 1 . . . . 82 P C . 17018 1 392 . 1 1 32 32 PRO CA C 13 64.816 0.046 . 1 . . . . 82 P CA . 17018 1 393 . 1 1 32 32 PRO CB C 13 32.054 0.039 . 1 . . . . 82 P CB . 17018 1 394 . 1 1 32 32 PRO CD C 13 50.591 0.038 . 1 . . . . 82 P CD . 17018 1 395 . 1 1 32 32 PRO CG C 13 27.206 0.056 . 1 . . . . 82 P CG . 17018 1 396 . 1 1 33 33 GLU H H 1 9.955 0.006 . 1 . . . . 83 E HN . 17018 1 397 . 1 1 33 33 GLU HA H 1 4.349 0.004 . 1 . . . . 83 E HA . 17018 1 398 . 1 1 33 33 GLU HB2 H 1 2.164 0.013 . 2 . . . . 83 E HB2 . 17018 1 399 . 1 1 33 33 GLU HB3 H 1 2.060 0.014 . 2 . . . . 83 E HB3 . 17018 1 400 . 1 1 33 33 GLU HG2 H 1 2.475 0.009 . 2 . . . . 83 E HG2 . 17018 1 401 . 1 1 33 33 GLU HG3 H 1 2.168 0.005 . 2 . . . . 83 E HG3 . 17018 1 402 . 1 1 33 33 GLU C C 13 178.128 0.200 . 1 . . . . 83 E C . 17018 1 403 . 1 1 33 33 GLU CA C 13 57.819 0.044 . 1 . . . . 83 E CA . 17018 1 404 . 1 1 33 33 GLU CB C 13 28.266 0.046 . 1 . . . . 83 E CB . 17018 1 405 . 1 1 33 33 GLU CG C 13 35.563 0.025 . 1 . . . . 83 E CG . 17018 1 406 . 1 1 33 33 GLU N N 15 119.166 0.033 . 1 . . . . 83 E N . 17018 1 407 . 1 1 34 34 VAL H H 1 7.834 0.005 . 1 . . . . 84 V HN . 17018 1 408 . 1 1 34 34 VAL HA H 1 3.964 0.003 . 1 . . . . 84 V HA . 17018 1 409 . 1 1 34 34 VAL HB H 1 2.407 0.002 . 1 . . . . 84 V HB . 17018 1 410 . 1 1 34 34 VAL HG11 H 1 1.127 0.007 . . . . . . 84 V QG1 . 17018 1 411 . 1 1 34 34 VAL HG12 H 1 1.127 0.007 . . . . . . 84 V QG1 . 17018 1 412 . 1 1 34 34 VAL HG13 H 1 1.127 0.007 . . . . . . 84 V QG1 . 17018 1 413 . 1 1 34 34 VAL HG21 H 1 1.269 0.010 . . . . . . 84 V QG2 . 17018 1 414 . 1 1 34 34 VAL HG22 H 1 1.269 0.010 . . . . . . 84 V QG2 . 17018 1 415 . 1 1 34 34 VAL HG23 H 1 1.269 0.010 . . . . . . 84 V QG2 . 17018 1 416 . 1 1 34 34 VAL C C 13 176.808 0.200 . 1 . . . . 84 V C . 17018 1 417 . 1 1 34 34 VAL CA C 13 66.437 0.036 . 1 . . . . 84 V CA . 17018 1 418 . 1 1 34 34 VAL CB C 13 31.879 0.051 . 1 . . . . 84 V CB . 17018 1 419 . 1 1 34 34 VAL CG1 C 13 21.752 0.044 . 2 . . . . 84 V CG1 . 17018 1 420 . 1 1 34 34 VAL CG2 C 13 23.093 0.087 . 2 . . . . 84 V CG2 . 17018 1 421 . 1 1 34 34 VAL N N 15 121.083 0.033 . 1 . . . . 84 V N . 17018 1 422 . 1 1 35 35 VAL H H 1 8.180 0.003 . 1 . . . . 85 V HN . 17018 1 423 . 1 1 35 35 VAL HA H 1 3.817 0.003 . 1 . . . . 85 V HA . 17018 1 424 . 1 1 35 35 VAL HB H 1 2.330 0.006 . 1 . . . . 85 V HB . 17018 1 425 . 1 1 35 35 VAL HG11 H 1 0.984 0.007 . . . . . . 85 V QG1 . 17018 1 426 . 1 1 35 35 VAL HG12 H 1 0.984 0.007 . . . . . . 85 V QG1 . 17018 1 427 . 1 1 35 35 VAL HG13 H 1 0.984 0.007 . . . . . . 85 V QG1 . 17018 1 428 . 1 1 35 35 VAL HG21 H 1 0.854 0.007 . . . . . . 85 V QG2 . 17018 1 429 . 1 1 35 35 VAL HG22 H 1 0.854 0.007 . . . . . . 85 V QG2 . 17018 1 430 . 1 1 35 35 VAL HG23 H 1 0.854 0.007 . . . . . . 85 V QG2 . 17018 1 431 . 1 1 35 35 VAL CA C 13 69.330 0.031 . 1 . . . . 85 V CA . 17018 1 432 . 1 1 35 35 VAL CB C 13 29.642 0.067 . 1 . . . . 85 V CB . 17018 1 433 . 1 1 35 35 VAL CG1 C 13 21.316 0.036 . 2 . . . . 85 V CG1 . 17018 1 434 . 1 1 35 35 VAL CG2 C 13 24.581 0.038 . 2 . . . . 85 V CG2 . 17018 1 435 . 1 1 35 35 VAL N N 15 119.913 0.040 . 1 . . . . 85 V N . 17018 1 436 . 1 1 36 36 PRO HA H 1 4.524 0.004 . 1 . . . . 86 P HA . 17018 1 437 . 1 1 36 36 PRO HB2 H 1 2.410 0.007 . 2 . . . . 86 P HB2 . 17018 1 438 . 1 1 36 36 PRO HB3 H 1 1.990 0.004 . 2 . . . . 86 P HB3 . 17018 1 439 . 1 1 36 36 PRO HD2 H 1 3.981 0.010 . 2 . . . . 86 P HD2 . 17018 1 440 . 1 1 36 36 PRO HD3 H 1 3.587 0.008 . 2 . . . . 86 P HD3 . 17018 1 441 . 1 1 36 36 PRO HG2 H 1 2.256 0.009 . 2 . . . . 86 P HG2 . 17018 1 442 . 1 1 36 36 PRO HG3 H 1 2.063 0.011 . 2 . . . . 86 P HG3 . 17018 1 443 . 1 1 36 36 PRO C C 13 178.955 0.200 . 1 . . . . 86 P C . 17018 1 444 . 1 1 36 36 PRO CA C 13 65.855 0.026 . 1 . . . . 86 P CA . 17018 1 445 . 1 1 36 36 PRO CB C 13 30.667 0.032 . 1 . . . . 86 P CB . 17018 1 446 . 1 1 36 36 PRO CD C 13 49.473 0.024 . 1 . . . . 86 P CD . 17018 1 447 . 1 1 36 36 PRO CG C 13 28.150 0.044 . 1 . . . . 86 P CG . 17018 1 448 . 1 1 37 37 PHE H H 1 7.505 0.003 . 1 . . . . 87 F HN . 17018 1 449 . 1 1 37 37 PHE HA H 1 4.441 0.004 . 1 . . . . 87 F HA . 17018 1 450 . 1 1 37 37 PHE HB2 H 1 3.451 0.013 . 2 . . . . 87 F HB2 . 17018 1 451 . 1 1 37 37 PHE HB3 H 1 3.375 0.009 . 2 . . . . 87 F HB3 . 17018 1 452 . 1 1 37 37 PHE HD1 H 1 7.363 0.010 . 3 . . . . 87 F QD . 17018 1 453 . 1 1 37 37 PHE HD2 H 1 7.363 0.010 . 3 . . . . 87 F QD . 17018 1 454 . 1 1 37 37 PHE HE1 H 1 7.380 0.004 . 3 . . . . 87 F QE . 17018 1 455 . 1 1 37 37 PHE HE2 H 1 7.380 0.004 . 3 . . . . 87 F QE . 17018 1 456 . 1 1 37 37 PHE HZ H 1 7.357 0.003 . 1 . . . . 87 F HZ . 17018 1 457 . 1 1 37 37 PHE C C 13 178.009 0.200 . 1 . . . . 87 F C . 17018 1 458 . 1 1 37 37 PHE CA C 13 61.405 0.021 . 1 . . . . 87 F CA . 17018 1 459 . 1 1 37 37 PHE CB C 13 39.500 0.042 . 1 . . . . 87 F CB . 17018 1 460 . 1 1 37 37 PHE CD1 C 13 132.133 0.106 . 3 . . . . 87 F CD1 . 17018 1 461 . 1 1 37 37 PHE CE1 C 13 131.466 0.200 . 3 . . . . 87 F CE1 . 17018 1 462 . 1 1 37 37 PHE CZ C 13 129.781 0.053 . 1 . . . . 87 F CZ . 17018 1 463 . 1 1 37 37 PHE N N 15 119.107 0.030 . 1 . . . . 87 F N . 17018 1 464 . 1 1 38 38 LEU H H 1 8.439 0.004 . 1 . . . . 88 L HN . 17018 1 465 . 1 1 38 38 LEU HA H 1 4.164 0.004 . 1 . . . . 88 L HA . 17018 1 466 . 1 1 38 38 LEU HB2 H 1 2.004 0.010 . 2 . . . . 88 L HB2 . 17018 1 467 . 1 1 38 38 LEU HB3 H 1 1.872 0.010 . 2 . . . . 88 L HB3 . 17018 1 468 . 1 1 38 38 LEU HD11 H 1 1.154 0.006 . . . . . . 88 L QD1 . 17018 1 469 . 1 1 38 38 LEU HD12 H 1 1.154 0.006 . . . . . . 88 L QD1 . 17018 1 470 . 1 1 38 38 LEU HD13 H 1 1.154 0.006 . . . . . . 88 L QD1 . 17018 1 471 . 1 1 38 38 LEU HD21 H 1 1.134 0.007 . . . . . . 88 L QD2 . 17018 1 472 . 1 1 38 38 LEU HD22 H 1 1.134 0.007 . . . . . . 88 L QD2 . 17018 1 473 . 1 1 38 38 LEU HD23 H 1 1.134 0.007 . . . . . . 88 L QD2 . 17018 1 474 . 1 1 38 38 LEU HG H 1 1.871 0.009 . 1 . . . . 88 L HG . 17018 1 475 . 1 1 38 38 LEU C C 13 178.903 0.200 . 1 . . . . 88 L C . 17018 1 476 . 1 1 38 38 LEU CA C 13 58.549 0.069 . 1 . . . . 88 L CA . 17018 1 477 . 1 1 38 38 LEU CB C 13 42.538 0.097 . 1 . . . . 88 L CB . 17018 1 478 . 1 1 38 38 LEU CD1 C 13 26.051 0.064 . 2 . . . . 88 L CD1 . 17018 1 479 . 1 1 38 38 LEU CD2 C 13 26.592 0.038 . 2 . . . . 88 L CD2 . 17018 1 480 . 1 1 38 38 LEU CG C 13 28.218 0.037 . 1 . . . . 88 L CG . 17018 1 481 . 1 1 38 38 LEU N N 15 121.863 0.056 . 1 . . . . 88 L N . 17018 1 482 . 1 1 39 39 TYR H H 1 8.807 0.003 . 1 . . . . 89 Y HN . 17018 1 483 . 1 1 39 39 TYR HA H 1 4.453 0.012 . 1 . . . . 89 Y HA . 17018 1 484 . 1 1 39 39 TYR HB2 H 1 3.199 0.015 . 2 . . . . 89 Y HB2 . 17018 1 485 . 1 1 39 39 TYR HB3 H 1 3.120 0.012 . 2 . . . . 89 Y HB3 . 17018 1 486 . 1 1 39 39 TYR HD1 H 1 7.248 0.003 . 3 . . . . 89 Y QD . 17018 1 487 . 1 1 39 39 TYR HD2 H 1 7.248 0.003 . 3 . . . . 89 Y QD . 17018 1 488 . 1 1 39 39 TYR HE1 H 1 6.880 0.002 . 3 . . . . 89 Y QE . 17018 1 489 . 1 1 39 39 TYR HE2 H 1 6.880 0.002 . 3 . . . . 89 Y QE . 17018 1 490 . 1 1 39 39 TYR C C 13 177.987 0.200 . 1 . . . . 89 Y C . 17018 1 491 . 1 1 39 39 TYR CA C 13 62.566 0.033 . 1 . . . . 89 Y CA . 17018 1 492 . 1 1 39 39 TYR CB C 13 38.610 0.040 . 1 . . . . 89 Y CB . 17018 1 493 . 1 1 39 39 TYR CD1 C 13 133.044 0.066 . 3 . . . . 89 Y CD1 . 17018 1 494 . 1 1 39 39 TYR CE1 C 13 118.500 0.044 . 3 . . . . 89 Y CE1 . 17018 1 495 . 1 1 39 39 TYR N N 15 118.639 0.028 . 1 . . . . 89 Y N . 17018 1 496 . 1 1 40 40 ASN H H 1 8.524 0.005 . 1 . . . . 90 N HN . 17018 1 497 . 1 1 40 40 ASN HA H 1 4.348 0.005 . 1 . . . . 90 N HA . 17018 1 498 . 1 1 40 40 ASN HB2 H 1 2.968 0.010 . 2 . . . . 90 N HB2 . 17018 1 499 . 1 1 40 40 ASN HB3 H 1 2.768 0.009 . 2 . . . . 90 N HB3 . 17018 1 500 . 1 1 40 40 ASN HD21 H 1 7.662 0.004 . 2 . . . . 90 N HD21 . 17018 1 501 . 1 1 40 40 ASN HD22 H 1 6.996 0.002 . 2 . . . . 90 N HD22 . 17018 1 502 . 1 1 40 40 ASN C C 13 177.568 0.200 . 1 . . . . 90 N C . 17018 1 503 . 1 1 40 40 ASN CA C 13 56.839 0.033 . 1 . . . . 90 N CA . 17018 1 504 . 1 1 40 40 ASN CB C 13 38.826 0.053 . 1 . . . . 90 N CB . 17018 1 505 . 1 1 40 40 ASN CG C 13 176.316 0.011 . 1 . . . . 90 N CG . 17018 1 506 . 1 1 40 40 ASN N N 15 117.484 0.021 . 1 . . . . 90 N N . 17018 1 507 . 1 1 40 40 ASN ND2 N 15 113.013 0.016 . 1 . . . . 90 N ND2 . 17018 1 508 . 1 1 41 41 ARG H H 1 7.980 0.004 . 1 . . . . 91 R HN . 17018 1 509 . 1 1 41 41 ARG HA H 1 3.866 0.004 . 1 . . . . 91 R HA . 17018 1 510 . 1 1 41 41 ARG HB2 H 1 2.253 0.007 . 2 . . . . 91 R HB2 . 17018 1 511 . 1 1 41 41 ARG HB3 H 1 1.562 0.014 . 2 . . . . 91 R HB3 . 17018 1 512 . 1 1 41 41 ARG HD2 H 1 3.134 0.011 . 2 . . . . 91 R HD2 . 17018 1 513 . 1 1 41 41 ARG HD3 H 1 3.018 0.010 . 2 . . . . 91 R HD3 . 17018 1 514 . 1 1 41 41 ARG HG2 H 1 1.491 0.008 . 2 . . . . 91 R HG2 . 17018 1 515 . 1 1 41 41 ARG HG3 H 1 1.407 0.007 . 2 . . . . 91 R HG3 . 17018 1 516 . 1 1 41 41 ARG C C 13 178.865 0.200 . 1 . . . . 91 R C . 17018 1 517 . 1 1 41 41 ARG CA C 13 58.337 0.047 . 1 . . . . 91 R CA . 17018 1 518 . 1 1 41 41 ARG CB C 13 30.198 0.047 . 1 . . . . 91 R CB . 17018 1 519 . 1 1 41 41 ARG CD C 13 43.401 0.057 . 1 . . . . 91 R CD . 17018 1 520 . 1 1 41 41 ARG CG C 13 27.496 0.054 . 1 . . . . 91 R CG . 17018 1 521 . 1 1 41 41 ARG N N 15 117.305 0.038 . 1 . . . . 91 R N . 17018 1 522 . 1 1 42 42 GLN H H 1 8.182 0.004 . 1 . . . . 92 Q HN . 17018 1 523 . 1 1 42 42 GLN HA H 1 3.667 0.003 . 1 . . . . 92 Q HA . 17018 1 524 . 1 1 42 42 GLN HB2 H 1 2.430 0.005 . 2 . . . . 92 Q HB2 . 17018 1 525 . 1 1 42 42 GLN HB3 H 1 1.426 0.007 . 2 . . . . 92 Q HB3 . 17018 1 526 . 1 1 42 42 GLN HE21 H 1 6.690 0.006 . 1 . . . . 92 Q QE2 . 17018 1 527 . 1 1 42 42 GLN HE22 H 1 6.690 0.006 . 1 . . . . 92 Q QE2 . 17018 1 528 . 1 1 42 42 GLN HG2 H 1 1.798 0.010 . 2 . . . . 92 Q HG2 . 17018 1 529 . 1 1 42 42 GLN HG3 H 1 1.102 0.011 . 2 . . . . 92 Q HG3 . 17018 1 530 . 1 1 42 42 GLN C C 13 177.465 0.200 . 1 . . . . 92 Q C . 17018 1 531 . 1 1 42 42 GLN CA C 13 60.498 0.045 . 1 . . . . 92 Q CA . 17018 1 532 . 1 1 42 42 GLN CB C 13 27.447 0.033 . 1 . . . . 92 Q CB . 17018 1 533 . 1 1 42 42 GLN CD C 13 177.560 0.200 . 1 . . . . 92 Q CD . 17018 1 534 . 1 1 42 42 GLN CG C 13 31.613 0.042 . 1 . . . . 92 Q CG . 17018 1 535 . 1 1 42 42 GLN N N 15 121.567 0.037 . 1 . . . . 92 Q N . 17018 1 536 . 1 1 42 42 GLN NE2 N 15 108.602 0.040 . 1 . . . . 92 Q NE2 . 17018 1 537 . 1 1 43 43 GLN H H 1 8.084 0.003 . 1 . . . . 93 Q HN . 17018 1 538 . 1 1 43 43 GLN HA H 1 3.830 0.005 . 1 . . . . 93 Q HA . 17018 1 539 . 1 1 43 43 GLN HB2 H 1 2.064 0.002 . 2 . . . . 93 Q QB . 17018 1 540 . 1 1 43 43 GLN HB3 H 1 2.064 0.002 . 2 . . . . 93 Q QB . 17018 1 541 . 1 1 43 43 GLN HE21 H 1 7.415 0.004 . 2 . . . . 93 Q HE21 . 17018 1 542 . 1 1 43 43 GLN HE22 H 1 6.781 0.003 . 2 . . . . 93 Q HE22 . 17018 1 543 . 1 1 43 43 GLN HG2 H 1 2.220 0.003 . 2 . . . . 93 Q QG . 17018 1 544 . 1 1 43 43 GLN HG3 H 1 2.220 0.003 . 2 . . . . 93 Q QG . 17018 1 545 . 1 1 43 43 GLN C C 13 178.068 0.200 . 1 . . . . 93 Q C . 17018 1 546 . 1 1 43 43 GLN CA C 13 57.704 0.034 . 1 . . . . 93 Q CA . 17018 1 547 . 1 1 43 43 GLN CB C 13 29.069 0.036 . 1 . . . . 93 Q CB . 17018 1 548 . 1 1 43 43 GLN CD C 13 180.569 0.005 . 1 . . . . 93 Q CD . 17018 1 549 . 1 1 43 43 GLN CG C 13 34.395 0.026 . 1 . . . . 93 Q CG . 17018 1 550 . 1 1 43 43 GLN N N 15 115.460 0.035 . 1 . . . . 93 Q N . 17018 1 551 . 1 1 43 43 GLN NE2 N 15 114.033 0.030 . 1 . . . . 93 Q NE2 . 17018 1 552 . 1 1 44 44 ARG H H 1 7.258 0.004 . 1 . . . . 94 R HN . 17018 1 553 . 1 1 44 44 ARG HA H 1 4.310 0.002 . 1 . . . . 94 R HA . 17018 1 554 . 1 1 44 44 ARG HB2 H 1 2.111 0.011 . 2 . . . . 94 R HB2 . 17018 1 555 . 1 1 44 44 ARG HB3 H 1 1.625 0.015 . 2 . . . . 94 R HB3 . 17018 1 556 . 1 1 44 44 ARG HD2 H 1 3.119 0.010 . 2 . . . . 94 R QD . 17018 1 557 . 1 1 44 44 ARG HD3 H 1 3.119 0.010 . 2 . . . . 94 R QD . 17018 1 558 . 1 1 44 44 ARG HG2 H 1 1.762 0.012 . 2 . . . . 94 R QG . 17018 1 559 . 1 1 44 44 ARG HG3 H 1 1.762 0.012 . 2 . . . . 94 R QG . 17018 1 560 . 1 1 44 44 ARG C C 13 175.406 0.200 . 1 . . . . 94 R C . 17018 1 561 . 1 1 44 44 ARG CA C 13 55.483 0.035 . 1 . . . . 94 R CA . 17018 1 562 . 1 1 44 44 ARG CB C 13 31.261 0.043 . 1 . . . . 94 R CB . 17018 1 563 . 1 1 44 44 ARG CD C 13 43.474 0.026 . 1 . . . . 94 R CD . 17018 1 564 . 1 1 44 44 ARG CG C 13 27.703 0.031 . 1 . . . . 94 R CG . 17018 1 565 . 1 1 44 44 ARG N N 15 115.561 0.044 . 1 . . . . 94 R N . 17018 1 566 . 1 1 45 45 ALA H H 1 7.171 0.003 . 1 . . . . 95 A HN . 17018 1 567 . 1 1 45 45 ALA HA H 1 4.500 0.005 . 1 . . . . 95 A HA . 17018 1 568 . 1 1 45 45 ALA HB1 H 1 1.388 0.007 . 1 . . . . 95 A QB . 17018 1 569 . 1 1 45 45 ALA HB2 H 1 1.388 0.007 . 1 . . . . 95 A QB . 17018 1 570 . 1 1 45 45 ALA HB3 H 1 1.388 0.007 . 1 . . . . 95 A QB . 17018 1 571 . 1 1 45 45 ALA C C 13 176.101 0.200 . 1 . . . . 95 A C . 17018 1 572 . 1 1 45 45 ALA CA C 13 51.848 0.055 . 1 . . . . 95 A CA . 17018 1 573 . 1 1 45 45 ALA CB C 13 19.929 0.035 . 1 . . . . 95 A CB . 17018 1 574 . 1 1 45 45 ALA N N 15 123.087 0.038 . 1 . . . . 95 A N . 17018 1 575 . 1 1 46 46 HIS H H 1 8.679 0.003 . 1 . . . . 96 H HN . 17018 1 576 . 1 1 46 46 HIS HA H 1 4.340 0.005 . 1 . . . . 96 H HA . 17018 1 577 . 1 1 46 46 HIS HB2 H 1 3.153 0.014 . 2 . . . . 96 H HB2 . 17018 1 578 . 1 1 46 46 HIS HB3 H 1 3.068 0.015 . 2 . . . . 96 H HB3 . 17018 1 579 . 1 1 46 46 HIS HD2 H 1 7.206 0.003 . 1 . . . . 96 H HD2 . 17018 1 580 . 1 1 46 46 HIS HE1 H 1 7.840 0.005 . 1 . . . . 96 H HE1 . 17018 1 581 . 1 1 46 46 HIS C C 13 177.656 0.200 . 1 . . . . 96 H C . 17018 1 582 . 1 1 46 46 HIS CA C 13 57.798 0.028 . 1 . . . . 96 H CA . 17018 1 583 . 1 1 46 46 HIS CB C 13 32.288 0.060 . 1 . . . . 96 H CB . 17018 1 584 . 1 1 46 46 HIS CD2 C 13 118.456 0.047 . 1 . . . . 96 H CD2 . 17018 1 585 . 1 1 46 46 HIS CE1 C 13 139.172 0.024 . 1 . . . . 96 H CE1 . 17018 1 586 . 1 1 46 46 HIS N N 15 119.260 0.031 . 1 . . . . 96 H N . 17018 1 587 . 1 1 47 47 SER H H 1 8.898 0.012 . 1 . . . . 97 S HN . 17018 1 588 . 1 1 47 47 SER HA H 1 3.947 0.008 . 1 . . . . 97 S HA . 17018 1 589 . 1 1 47 47 SER HB2 H 1 3.943 0.005 . 2 . . . . 97 S QB . 17018 1 590 . 1 1 47 47 SER HB3 H 1 3.943 0.005 . 2 . . . . 97 S QB . 17018 1 591 . 1 1 47 47 SER C C 13 177.235 0.200 . 1 . . . . 97 S C . 17018 1 592 . 1 1 47 47 SER CA C 13 62.467 0.066 . 1 . . . . 97 S CA . 17018 1 593 . 1 1 47 47 SER CB C 13 62.467 0.066 . 1 . . . . 97 S CB . 17018 1 594 . 1 1 47 47 SER N N 15 124.001 0.015 . 1 . . . . 97 S N . 17018 1 595 . 1 1 48 48 LEU H H 1 9.397 0.003 . 1 . . . . 98 L HN . 17018 1 596 . 1 1 48 48 LEU HA H 1 4.214 0.004 . 1 . . . . 98 L HA . 17018 1 597 . 1 1 48 48 LEU HB2 H 1 1.786 0.011 . 2 . . . . 98 L HB2 . 17018 1 598 . 1 1 48 48 LEU HB3 H 1 1.616 0.009 . 2 . . . . 98 L HB3 . 17018 1 599 . 1 1 48 48 LEU HD11 H 1 0.980 0.004 . . . . . . 98 L QD1 . 17018 1 600 . 1 1 48 48 LEU HD12 H 1 0.980 0.004 . . . . . . 98 L QD1 . 17018 1 601 . 1 1 48 48 LEU HD13 H 1 0.980 0.004 . . . . . . 98 L QD1 . 17018 1 602 . 1 1 48 48 LEU HD21 H 1 0.936 0.009 . . . . . . 98 L QD2 . 17018 1 603 . 1 1 48 48 LEU HD22 H 1 0.936 0.009 . . . . . . 98 L QD2 . 17018 1 604 . 1 1 48 48 LEU HD23 H 1 0.936 0.009 . . . . . . 98 L QD2 . 17018 1 605 . 1 1 48 48 LEU HG H 1 1.763 0.011 . 1 . . . . 98 L HG . 17018 1 606 . 1 1 48 48 LEU C C 13 180.403 0.200 . 1 . . . . 98 L C . 17018 1 607 . 1 1 48 48 LEU CA C 13 58.124 0.039 . 1 . . . . 98 L CA . 17018 1 608 . 1 1 48 48 LEU CB C 13 41.401 0.032 . 1 . . . . 98 L CB . 17018 1 609 . 1 1 48 48 LEU CD1 C 13 24.830 0.064 . 2 . . . . 98 L CD1 . 17018 1 610 . 1 1 48 48 LEU CD2 C 13 23.779 0.036 . 2 . . . . 98 L CD2 . 17018 1 611 . 1 1 48 48 LEU CG C 13 27.182 0.042 . 1 . . . . 98 L CG . 17018 1 612 . 1 1 48 48 LEU N N 15 123.666 0.026 . 1 . . . . 98 L N . 17018 1 613 . 1 1 49 49 PHE H H 1 7.358 0.004 . 1 . . . . 99 F HN . 17018 1 614 . 1 1 49 49 PHE HA H 1 4.287 0.005 . 1 . . . . 99 F HA . 17018 1 615 . 1 1 49 49 PHE HB2 H 1 3.311 0.005 . 2 . . . . 99 F HB2 . 17018 1 616 . 1 1 49 49 PHE HB3 H 1 2.901 0.005 . 2 . . . . 99 F HB3 . 17018 1 617 . 1 1 49 49 PHE HD1 H 1 6.545 0.002 . 3 . . . . 99 F QD . 17018 1 618 . 1 1 49 49 PHE HD2 H 1 6.545 0.002 . 3 . . . . 99 F QD . 17018 1 619 . 1 1 49 49 PHE HE1 H 1 6.385 0.004 . 3 . . . . 99 F QE . 17018 1 620 . 1 1 49 49 PHE HE2 H 1 6.385 0.004 . 3 . . . . 99 F QE . 17018 1 621 . 1 1 49 49 PHE HZ H 1 6.626 0.010 . 1 . . . . 99 F HZ . 17018 1 622 . 1 1 49 49 PHE C C 13 179.677 0.200 . 1 . . . . 99 F C . 17018 1 623 . 1 1 49 49 PHE CA C 13 61.403 0.023 . 1 . . . . 99 F CA . 17018 1 624 . 1 1 49 49 PHE CB C 13 39.074 0.043 . 1 . . . . 99 F CB . 17018 1 625 . 1 1 49 49 PHE CD1 C 13 130.748 0.078 . 3 . . . . 99 F CD1 . 17018 1 626 . 1 1 49 49 PHE CE1 C 13 130.356 0.109 . 3 . . . . 99 F CE1 . 17018 1 627 . 1 1 49 49 PHE CZ C 13 128.572 0.062 . 1 . . . . 99 F CZ . 17018 1 628 . 1 1 49 49 PHE N N 15 119.570 0.036 . 1 . . . . 99 F N . 17018 1 629 . 1 1 50 50 LEU H H 1 8.026 0.003 . 1 . . . . 100 L HN . 17018 1 630 . 1 1 50 50 LEU HA H 1 3.813 0.008 . 1 . . . . 100 L HA . 17018 1 631 . 1 1 50 50 LEU HB2 H 1 1.868 0.008 . 2 . . . . 100 L HB2 . 17018 1 632 . 1 1 50 50 LEU HB3 H 1 1.507 0.004 . 2 . . . . 100 L HB3 . 17018 1 633 . 1 1 50 50 LEU HD11 H 1 0.833 0.008 . . . . . . 100 L QD1 . 17018 1 634 . 1 1 50 50 LEU HD12 H 1 0.833 0.008 . . . . . . 100 L QD1 . 17018 1 635 . 1 1 50 50 LEU HD13 H 1 0.833 0.008 . . . . . . 100 L QD1 . 17018 1 636 . 1 1 50 50 LEU HD21 H 1 0.543 0.006 . . . . . . 100 L QD2 . 17018 1 637 . 1 1 50 50 LEU HD22 H 1 0.543 0.006 . . . . . . 100 L QD2 . 17018 1 638 . 1 1 50 50 LEU HD23 H 1 0.543 0.006 . . . . . . 100 L QD2 . 17018 1 639 . 1 1 50 50 LEU HG H 1 1.582 0.011 . 1 . . . . 100 L HG . 17018 1 640 . 1 1 50 50 LEU C C 13 177.902 0.200 . 1 . . . . 100 L C . 17018 1 641 . 1 1 50 50 LEU CA C 13 56.985 0.053 . 1 . . . . 100 L CA . 17018 1 642 . 1 1 50 50 LEU CB C 13 41.417 0.043 . 1 . . . . 100 L CB . 17018 1 643 . 1 1 50 50 LEU CD1 C 13 25.718 0.047 . 2 . . . . 100 L CD1 . 17018 1 644 . 1 1 50 50 LEU CD2 C 13 22.737 0.035 . 2 . . . . 100 L CD2 . 17018 1 645 . 1 1 50 50 LEU CG C 13 26.415 0.049 . 1 . . . . 100 L CG . 17018 1 646 . 1 1 50 50 LEU N N 15 118.542 0.023 . 1 . . . . 100 L N . 17018 1 647 . 1 1 51 51 ALA H H 1 7.281 0.004 . 1 . . . . 101 A HN . 17018 1 648 . 1 1 51 51 ALA HA H 1 4.364 0.003 . 1 . . . . 101 A HA . 17018 1 649 . 1 1 51 51 ALA HB1 H 1 1.684 0.007 . 1 . . . . 101 A QB . 17018 1 650 . 1 1 51 51 ALA HB2 H 1 1.684 0.007 . 1 . . . . 101 A QB . 17018 1 651 . 1 1 51 51 ALA HB3 H 1 1.684 0.007 . 1 . . . . 101 A QB . 17018 1 652 . 1 1 51 51 ALA C C 13 176.472 0.200 . 1 . . . . 101 A C . 17018 1 653 . 1 1 51 51 ALA CA C 13 51.334 0.042 . 1 . . . . 101 A CA . 17018 1 654 . 1 1 51 51 ALA CB C 13 20.204 0.047 . 1 . . . . 101 A CB . 17018 1 655 . 1 1 51 51 ALA N N 15 121.385 0.035 . 1 . . . . 101 A N . 17018 1 656 . 1 1 52 52 SER H H 1 7.496 0.004 . 1 . . . . 102 S HN . 17018 1 657 . 1 1 52 52 SER HA H 1 4.607 0.004 . 1 . . . . 102 S HA . 17018 1 658 . 1 1 52 52 SER HB2 H 1 4.382 0.004 . 2 . . . . 102 S QB . 17018 1 659 . 1 1 52 52 SER HB3 H 1 4.382 0.004 . 2 . . . . 102 S QB . 17018 1 660 . 1 1 52 52 SER C C 13 175.570 0.200 . 1 . . . . 102 S C . 17018 1 661 . 1 1 52 52 SER CA C 13 59.454 0.029 . 1 . . . . 102 S CA . 17018 1 662 . 1 1 52 52 SER CB C 13 66.929 0.017 . 1 . . . . 102 S CB . 17018 1 663 . 1 1 52 52 SER N N 15 115.845 0.030 . 1 . . . . 102 S N . 17018 1 664 . 1 1 53 53 ALA H H 1 8.921 0.003 . 1 . . . . 103 A HN . 17018 1 665 . 1 1 53 53 ALA HA H 1 2.823 0.004 . 1 . . . . 103 A HA . 17018 1 666 . 1 1 53 53 ALA HB1 H 1 1.142 0.008 . 1 . . . . 103 A QB . 17018 1 667 . 1 1 53 53 ALA HB2 H 1 1.142 0.008 . 1 . . . . 103 A QB . 17018 1 668 . 1 1 53 53 ALA HB3 H 1 1.142 0.008 . 1 . . . . 103 A QB . 17018 1 669 . 1 1 53 53 ALA C C 13 179.735 0.200 . 1 . . . . 103 A C . 17018 1 670 . 1 1 53 53 ALA CA C 13 54.039 0.022 . 1 . . . . 103 A CA . 17018 1 671 . 1 1 53 53 ALA CB C 13 18.155 0.041 . 1 . . . . 103 A CB . 17018 1 672 . 1 1 53 53 ALA N N 15 126.173 0.035 . 1 . . . . 103 A N . 17018 1 673 . 1 1 54 54 GLU H H 1 8.411 0.003 . 1 . . . . 104 E HN . 17018 1 674 . 1 1 54 54 GLU HA H 1 3.945 0.004 . 1 . . . . 104 E HA . 17018 1 675 . 1 1 54 54 GLU HB2 H 1 2.149 0.017 . 2 . . . . 104 E HB2 . 17018 1 676 . 1 1 54 54 GLU HB3 H 1 1.923 0.008 . 2 . . . . 104 E HB3 . 17018 1 677 . 1 1 54 54 GLU HG2 H 1 2.358 0.003 . 2 . . . . 104 E QG . 17018 1 678 . 1 1 54 54 GLU HG3 H 1 2.358 0.003 . 2 . . . . 104 E QG . 17018 1 679 . 1 1 54 54 GLU C C 13 179.065 0.200 . 1 . . . . 104 E C . 17018 1 680 . 1 1 54 54 GLU CA C 13 59.860 0.022 . 1 . . . . 104 E CA . 17018 1 681 . 1 1 54 54 GLU CB C 13 29.197 0.058 . 1 . . . . 104 E CB . 17018 1 682 . 1 1 54 54 GLU CG C 13 36.372 0.027 . 1 . . . . 104 E CG . 17018 1 683 . 1 1 54 54 GLU N N 15 118.246 0.013 . 1 . . . . 104 E N . 17018 1 684 . 1 1 55 55 PHE H H 1 7.908 0.004 . 1 . . . . 105 F HN . 17018 1 685 . 1 1 55 55 PHE HA H 1 4.305 0.005 . 1 . . . . 105 F HA . 17018 1 686 . 1 1 55 55 PHE HB2 H 1 2.495 0.006 . 2 . . . . 105 F HB2 . 17018 1 687 . 1 1 55 55 PHE HB3 H 1 1.419 0.002 . 2 . . . . 105 F HB3 . 17018 1 688 . 1 1 55 55 PHE HD1 H 1 7.065 0.003 . 3 . . . . 105 F QD . 17018 1 689 . 1 1 55 55 PHE HD2 H 1 7.065 0.003 . 3 . . . . 105 F QD . 17018 1 690 . 1 1 55 55 PHE HE1 H 1 7.226 0.009 . 3 . . . . 105 F QE . 17018 1 691 . 1 1 55 55 PHE HE2 H 1 7.226 0.009 . 3 . . . . 105 F QE . 17018 1 692 . 1 1 55 55 PHE HZ H 1 6.890 0.007 . 1 . . . . 105 F HZ . 17018 1 693 . 1 1 55 55 PHE C C 13 175.652 0.200 . 1 . . . . 105 F C . 17018 1 694 . 1 1 55 55 PHE CA C 13 57.537 0.039 . 1 . . . . 105 F CA . 17018 1 695 . 1 1 55 55 PHE CB C 13 37.314 0.039 . 1 . . . . 105 F CB . 17018 1 696 . 1 1 55 55 PHE CD1 C 13 131.568 0.054 . 3 . . . . 105 F CD1 . 17018 1 697 . 1 1 55 55 PHE CE1 C 13 130.792 0.053 . 3 . . . . 105 F CE1 . 17018 1 698 . 1 1 55 55 PHE CZ C 13 128.227 0.075 . 1 . . . . 105 F CZ . 17018 1 699 . 1 1 55 55 PHE N N 15 119.321 0.019 . 1 . . . . 105 F N . 17018 1 700 . 1 1 56 56 CYS H H 1 7.206 0.003 . 1 . . . . 106 C HN . 17018 1 701 . 1 1 56 56 CYS HA H 1 3.727 0.004 . 1 . . . . 106 C HA . 17018 1 702 . 1 1 56 56 CYS HB2 H 1 3.346 0.009 . 2 . . . . 106 C HB2 . 17018 1 703 . 1 1 56 56 CYS HB3 H 1 2.560 0.008 . 2 . . . . 106 C HB3 . 17018 1 704 . 1 1 56 56 CYS C C 13 177.983 0.200 . 1 . . . . 106 C C . 17018 1 705 . 1 1 56 56 CYS CA C 13 63.462 0.044 . 1 . . . . 106 C CA . 17018 1 706 . 1 1 56 56 CYS CB C 13 27.755 0.039 . 1 . . . . 106 C CB . 17018 1 707 . 1 1 56 56 CYS N N 15 120.965 0.019 . 1 . . . . 106 C N . 17018 1 708 . 1 1 57 57 ASN H H 1 8.098 0.003 . 1 . . . . 107 N HN . 17018 1 709 . 1 1 57 57 ASN HA H 1 4.327 0.004 . 1 . . . . 107 N HA . 17018 1 710 . 1 1 57 57 ASN HB2 H 1 2.868 0.016 . 2 . . . . 107 N HB2 . 17018 1 711 . 1 1 57 57 ASN HB3 H 1 2.801 0.003 . 2 . . . . 107 N HB3 . 17018 1 712 . 1 1 57 57 ASN HD21 H 1 7.548 0.003 . 2 . . . . 107 N HD21 . 17018 1 713 . 1 1 57 57 ASN HD22 H 1 6.890 0.003 . 2 . . . . 107 N HD22 . 17018 1 714 . 1 1 57 57 ASN C C 13 177.955 0.200 . 1 . . . . 107 N C . 17018 1 715 . 1 1 57 57 ASN CA C 13 56.472 0.035 . 1 . . . . 107 N CA . 17018 1 716 . 1 1 57 57 ASN CB C 13 38.332 0.033 . 1 . . . . 107 N CB . 17018 1 717 . 1 1 57 57 ASN CG C 13 175.844 0.013 . 1 . . . . 107 N CG . 17018 1 718 . 1 1 57 57 ASN N N 15 118.460 0.022 . 1 . . . . 107 N N . 17018 1 719 . 1 1 57 57 ASN ND2 N 15 112.620 0.041 . 1 . . . . 107 N ND2 . 17018 1 720 . 1 1 58 58 ILE H H 1 7.938 0.003 . 1 . . . . 108 I HN . 17018 1 721 . 1 1 58 58 ILE HA H 1 3.720 0.003 . 1 . . . . 108 I HA . 17018 1 722 . 1 1 58 58 ILE HB H 1 1.969 0.014 . 1 . . . . 108 I HB . 17018 1 723 . 1 1 58 58 ILE HD11 H 1 1.119 0.008 . 1 . . . . 108 I QD1 . 17018 1 724 . 1 1 58 58 ILE HD12 H 1 1.119 0.008 . 1 . . . . 108 I QD1 . 17018 1 725 . 1 1 58 58 ILE HD13 H 1 1.119 0.008 . 1 . . . . 108 I QD1 . 17018 1 726 . 1 1 58 58 ILE HG12 H 1 1.227 0.011 . 1 . . . . 108 I QG1 . 17018 1 727 . 1 1 58 58 ILE HG13 H 1 1.227 0.011 . 1 . . . . 108 I QG1 . 17018 1 728 . 1 1 58 58 ILE HG21 H 1 0.992 0.008 . 1 . . . . 108 I QG2 . 17018 1 729 . 1 1 58 58 ILE HG22 H 1 0.992 0.008 . 1 . . . . 108 I QG2 . 17018 1 730 . 1 1 58 58 ILE HG23 H 1 0.992 0.008 . 1 . . . . 108 I QG2 . 17018 1 731 . 1 1 58 58 ILE C C 13 177.795 0.200 . 1 . . . . 108 I C . 17018 1 732 . 1 1 58 58 ILE CA C 13 65.194 0.029 . 1 . . . . 108 I CA . 17018 1 733 . 1 1 58 58 ILE CB C 13 38.913 0.047 . 1 . . . . 108 I CB . 17018 1 734 . 1 1 58 58 ILE CD1 C 13 14.942 0.058 . 1 . . . . 108 I CD1 . 17018 1 735 . 1 1 58 58 ILE CG1 C 13 29.416 0.059 . 1 . . . . 108 I CG1 . 17018 1 736 . 1 1 58 58 ILE CG2 C 13 16.904 0.045 . 1 . . . . 108 I CG2 . 17018 1 737 . 1 1 58 58 ILE N N 15 121.322 0.022 . 1 . . . . 108 I N . 17018 1 738 . 1 1 59 59 LEU H H 1 8.569 0.007 . 1 . . . . 109 L HN . 17018 1 739 . 1 1 59 59 LEU HA H 1 3.616 0.003 . 1 . . . . 109 L HA . 17018 1 740 . 1 1 59 59 LEU HB2 H 1 1.535 0.014 . 2 . . . . 109 L HB2 . 17018 1 741 . 1 1 59 59 LEU HB3 H 1 0.972 0.010 . 2 . . . . 109 L HB3 . 17018 1 742 . 1 1 59 59 LEU HD11 H 1 0.240 0.006 . . . . . . 109 L QD1 . 17018 1 743 . 1 1 59 59 LEU HD12 H 1 0.240 0.006 . . . . . . 109 L QD1 . 17018 1 744 . 1 1 59 59 LEU HD13 H 1 0.240 0.006 . . . . . . 109 L QD1 . 17018 1 745 . 1 1 59 59 LEU HD21 H 1 0.568 0.010 . . . . . . 109 L QD2 . 17018 1 746 . 1 1 59 59 LEU HD22 H 1 0.568 0.010 . . . . . . 109 L QD2 . 17018 1 747 . 1 1 59 59 LEU HD23 H 1 0.568 0.010 . . . . . . 109 L QD2 . 17018 1 748 . 1 1 59 59 LEU HG H 1 0.771 0.014 . 1 . . . . 109 L HG . 17018 1 749 . 1 1 59 59 LEU C C 13 178.349 0.200 . 1 . . . . 109 L C . 17018 1 750 . 1 1 59 59 LEU CA C 13 57.549 0.020 . 1 . . . . 109 L CA . 17018 1 751 . 1 1 59 59 LEU CB C 13 42.865 0.040 . 1 . . . . 109 L CB . 17018 1 752 . 1 1 59 59 LEU CD1 C 13 25.915 0.030 . 2 . . . . 109 L CD1 . 17018 1 753 . 1 1 59 59 LEU CD2 C 13 24.065 0.053 . 2 . . . . 109 L CD2 . 17018 1 754 . 1 1 59 59 LEU CG C 13 27.089 0.060 . 1 . . . . 109 L CG . 17018 1 755 . 1 1 59 59 LEU N N 15 120.590 0.069 . 1 . . . . 109 L N . 17018 1 756 . 1 1 60 60 SER H H 1 8.460 0.003 . 1 . . . . 110 S HN . 17018 1 757 . 1 1 60 60 SER HA H 1 4.017 0.010 . 1 . . . . 110 S HA . 17018 1 758 . 1 1 60 60 SER HB2 H 1 3.862 0.009 . 2 . . . . 110 S QB . 17018 1 759 . 1 1 60 60 SER HB3 H 1 3.862 0.009 . 2 . . . . 110 S QB . 17018 1 760 . 1 1 60 60 SER C C 13 176.938 0.200 . 1 . . . . 110 S C . 17018 1 761 . 1 1 60 60 SER CA C 13 62.612 0.076 . 1 . . . . 110 S CA . 17018 1 762 . 1 1 60 60 SER CB C 13 62.660 0.097 . 1 . . . . 110 S CB . 17018 1 763 . 1 1 60 60 SER N N 15 113.187 0.022 . 1 . . . . 110 S N . 17018 1 764 . 1 1 61 61 ARG H H 1 7.693 0.009 . 1 . . . . 111 R HN . 17018 1 765 . 1 1 61 61 ARG HA H 1 4.104 0.004 . 1 . . . . 111 R HA . 17018 1 766 . 1 1 61 61 ARG HB2 H 1 1.895 0.007 . 2 . . . . 111 R QB . 17018 1 767 . 1 1 61 61 ARG HB3 H 1 1.895 0.007 . 2 . . . . 111 R QB . 17018 1 768 . 1 1 61 61 ARG HD2 H 1 3.187 0.014 . 2 . . . . 111 R QD . 17018 1 769 . 1 1 61 61 ARG HD3 H 1 3.187 0.014 . 2 . . . . 111 R QD . 17018 1 770 . 1 1 61 61 ARG HG2 H 1 1.653 0.004 . 2 . . . . 111 R HG2 . 17018 1 771 . 1 1 61 61 ARG HG3 H 1 1.426 0.011 . 2 . . . . 111 R HG3 . 17018 1 772 . 1 1 61 61 ARG C C 13 178.449 0.200 . 1 . . . . 111 R C . 17018 1 773 . 1 1 61 61 ARG CA C 13 59.343 0.024 . 1 . . . . 111 R CA . 17018 1 774 . 1 1 61 61 ARG CB C 13 30.062 0.056 . 1 . . . . 111 R CB . 17018 1 775 . 1 1 61 61 ARG CD C 13 43.355 0.028 . 1 . . . . 111 R CD . 17018 1 776 . 1 1 61 61 ARG CG C 13 27.562 0.042 . 1 . . . . 111 R CG . 17018 1 777 . 1 1 61 61 ARG N N 15 122.396 0.023 . 1 . . . . 111 R N . 17018 1 778 . 1 1 62 62 VAL H H 1 8.507 0.005 . 1 . . . . 112 V HN . 17018 1 779 . 1 1 62 62 VAL HA H 1 3.402 0.004 . 1 . . . . 112 V HA . 17018 1 780 . 1 1 62 62 VAL HB H 1 1.893 0.010 . 1 . . . . 112 V HB . 17018 1 781 . 1 1 62 62 VAL HG11 H 1 0.577 0.006 . . . . . . 112 V QG1 . 17018 1 782 . 1 1 62 62 VAL HG12 H 1 0.577 0.006 . . . . . . 112 V QG1 . 17018 1 783 . 1 1 62 62 VAL HG13 H 1 0.577 0.006 . . . . . . 112 V QG1 . 17018 1 784 . 1 1 62 62 VAL HG21 H 1 0.777 0.008 . . . . . . 112 V QG2 . 17018 1 785 . 1 1 62 62 VAL HG22 H 1 0.777 0.008 . . . . . . 112 V QG2 . 17018 1 786 . 1 1 62 62 VAL HG23 H 1 0.777 0.008 . . . . . . 112 V QG2 . 17018 1 787 . 1 1 62 62 VAL C C 13 177.176 0.200 . 1 . . . . 112 V C . 17018 1 788 . 1 1 62 62 VAL CA C 13 66.641 0.043 . 1 . . . . 112 V CA . 17018 1 789 . 1 1 62 62 VAL CB C 13 31.197 0.042 . 1 . . . . 112 V CB . 17018 1 790 . 1 1 62 62 VAL CG1 C 13 21.749 0.047 . 2 . . . . 112 V CG1 . 17018 1 791 . 1 1 62 62 VAL CG2 C 13 22.191 0.037 . 2 . . . . 112 V CG2 . 17018 1 792 . 1 1 62 62 VAL N N 15 118.547 0.034 . 1 . . . . 112 V N . 17018 1 793 . 1 1 63 63 LEU H H 1 8.293 0.003 . 1 . . . . 113 L HN . 17018 1 794 . 1 1 63 63 LEU HA H 1 4.008 0.004 . 1 . . . . 113 L HA . 17018 1 795 . 1 1 63 63 LEU HB2 H 1 1.670 0.010 . 2 . . . . 113 L QB . 17018 1 796 . 1 1 63 63 LEU HB3 H 1 1.670 0.010 . 2 . . . . 113 L QB . 17018 1 797 . 1 1 63 63 LEU HD11 H 1 0.965 0.020 . 1 . . . . 113 L QD1 . 17018 1 798 . 1 1 63 63 LEU HD12 H 1 0.965 0.020 . 1 . . . . 113 L QD1 . 17018 1 799 . 1 1 63 63 LEU HD13 H 1 0.965 0.020 . 1 . . . . 113 L QD1 . 17018 1 800 . 1 1 63 63 LEU HD21 H 1 0.956 0.012 . 1 . . . . 113 L QD2 . 17018 1 801 . 1 1 63 63 LEU HD22 H 1 0.956 0.012 . 1 . . . . 113 L QD2 . 17018 1 802 . 1 1 63 63 LEU HD23 H 1 0.956 0.012 . 1 . . . . 113 L QD2 . 17018 1 803 . 1 1 63 63 LEU HG H 1 1.531 0.011 . 1 . . . . 113 L HG . 17018 1 804 . 1 1 63 63 LEU C C 13 178.022 0.200 . 1 . . . . 113 L C . 17018 1 805 . 1 1 63 63 LEU CA C 13 58.631 0.021 . 1 . . . . 113 L CA . 17018 1 806 . 1 1 63 63 LEU CB C 13 42.489 0.039 . 1 . . . . 113 L CB . 17018 1 807 . 1 1 63 63 LEU CD1 C 13 24.902 0.086 . 2 . . . . 113 L CD1 . 17018 1 808 . 1 1 63 63 LEU CD2 C 13 25.429 0.027 . 2 . . . . 113 L CD2 . 17018 1 809 . 1 1 63 63 LEU CG C 13 28.075 0.073 . 1 . . . . 113 L CG . 17018 1 810 . 1 1 63 63 LEU N N 15 120.647 0.052 . 1 . . . . 113 L N . 17018 1 811 . 1 1 64 64 SER H H 1 7.526 0.004 . 1 . . . . 114 S HN . 17018 1 812 . 1 1 64 64 SER HA H 1 4.113 0.004 . 1 . . . . 114 S HA . 17018 1 813 . 1 1 64 64 SER HB2 H 1 3.972 0.005 . 2 . . . . 114 S QB . 17018 1 814 . 1 1 64 64 SER HB3 H 1 3.972 0.005 . 2 . . . . 114 S QB . 17018 1 815 . 1 1 64 64 SER C C 13 178.489 0.200 . 1 . . . . 114 S C . 17018 1 816 . 1 1 64 64 SER CA C 13 61.428 0.047 . 1 . . . . 114 S CA . 17018 1 817 . 1 1 64 64 SER CB C 13 62.802 0.056 . 1 . . . . 114 S CB . 17018 1 818 . 1 1 64 64 SER N N 15 111.670 0.019 . 1 . . . . 114 S N . 17018 1 819 . 1 1 65 65 ARG H H 1 8.086 0.003 . 1 . . . . 115 R HN . 17018 1 820 . 1 1 65 65 ARG HA H 1 3.901 0.005 . 1 . . . . 115 R HA . 17018 1 821 . 1 1 65 65 ARG HB2 H 1 1.327 0.009 . 2 . . . . 115 R HB2 . 17018 1 822 . 1 1 65 65 ARG HB3 H 1 1.031 0.007 . 2 . . . . 115 R HB3 . 17018 1 823 . 1 1 65 65 ARG HD2 H 1 3.010 0.011 . 2 . . . . 115 R HD2 . 17018 1 824 . 1 1 65 65 ARG HD3 H 1 2.945 0.011 . 2 . . . . 115 R HD3 . 17018 1 825 . 1 1 65 65 ARG HG2 H 1 1.639 0.013 . 2 . . . . 115 R QG . 17018 1 826 . 1 1 65 65 ARG HG3 H 1 1.639 0.013 . 2 . . . . 115 R QG . 17018 1 827 . 1 1 65 65 ARG C C 13 177.853 0.200 . 1 . . . . 115 R C . 17018 1 828 . 1 1 65 65 ARG CA C 13 59.033 0.042 . 1 . . . . 115 R CA . 17018 1 829 . 1 1 65 65 ARG CB C 13 28.837 0.042 . 1 . . . . 115 R CB . 17018 1 830 . 1 1 65 65 ARG CD C 13 43.706 0.029 . 1 . . . . 115 R CD . 17018 1 831 . 1 1 65 65 ARG CG C 13 27.686 0.037 . 1 . . . . 115 R CG . 17018 1 832 . 1 1 65 65 ARG N N 15 121.526 0.037 . 1 . . . . 115 R N . 17018 1 833 . 1 1 66 66 ALA H H 1 8.428 0.003 . 1 . . . . 116 A HN . 17018 1 834 . 1 1 66 66 ALA HA H 1 3.988 0.005 . 1 . . . . 116 A HA . 17018 1 835 . 1 1 66 66 ALA HB1 H 1 1.538 0.007 . 1 . . . . 116 A QB . 17018 1 836 . 1 1 66 66 ALA HB2 H 1 1.538 0.007 . 1 . . . . 116 A QB . 17018 1 837 . 1 1 66 66 ALA HB3 H 1 1.538 0.007 . 1 . . . . 116 A QB . 17018 1 838 . 1 1 66 66 ALA C C 13 179.100 0.200 . 1 . . . . 116 A C . 17018 1 839 . 1 1 66 66 ALA CA C 13 55.022 0.010 . 1 . . . . 116 A CA . 17018 1 840 . 1 1 66 66 ALA CB C 13 19.364 0.049 . 1 . . . . 116 A CB . 17018 1 841 . 1 1 66 66 ALA N N 15 121.506 0.047 . 1 . . . . 116 A N . 17018 1 842 . 1 1 67 67 ARG H H 1 7.797 0.003 . 1 . . . . 117 R HN . 17018 1 843 . 1 1 67 67 ARG HA H 1 4.038 0.005 . 1 . . . . 117 R HA . 17018 1 844 . 1 1 67 67 ARG HB2 H 1 1.841 0.014 . 2 . . . . 117 R QB . 17018 1 845 . 1 1 67 67 ARG HB3 H 1 1.841 0.014 . 2 . . . . 117 R QB . 17018 1 846 . 1 1 67 67 ARG HD2 H 1 3.110 0.004 . 2 . . . . 117 R QD . 17018 1 847 . 1 1 67 67 ARG HD3 H 1 3.110 0.004 . 2 . . . . 117 R QD . 17018 1 848 . 1 1 67 67 ARG HG2 H 1 1.914 0.013 . 2 . . . . 117 R HG2 . 17018 1 849 . 1 1 67 67 ARG HG3 H 1 1.626 0.007 . 2 . . . . 117 R HG3 . 17018 1 850 . 1 1 67 67 ARG C C 13 178.425 0.200 . 1 . . . . 117 R C . 17018 1 851 . 1 1 67 67 ARG CA C 13 58.991 0.057 . 1 . . . . 117 R CA . 17018 1 852 . 1 1 67 67 ARG CB C 13 30.622 0.036 . 1 . . . . 117 R CB . 17018 1 853 . 1 1 67 67 ARG CD C 13 43.633 0.023 . 1 . . . . 117 R CD . 17018 1 854 . 1 1 67 67 ARG CG C 13 29.379 0.084 . 1 . . . . 117 R CG . 17018 1 855 . 1 1 67 67 ARG N N 15 113.435 0.026 . 1 . . . . 117 R N . 17018 1 856 . 1 1 68 68 SER H H 1 7.598 0.003 . 1 . . . . 118 S HN . 17018 1 857 . 1 1 68 68 SER HA H 1 4.435 0.006 . 1 . . . . 118 S HA . 17018 1 858 . 1 1 68 68 SER HB2 H 1 4.001 0.006 . 2 . . . . 118 S HB2 . 17018 1 859 . 1 1 68 68 SER HB3 H 1 3.954 0.004 . 2 . . . . 118 S HB3 . 17018 1 860 . 1 1 68 68 SER C C 13 175.137 0.200 . 1 . . . . 118 S C . 17018 1 861 . 1 1 68 68 SER CA C 13 60.299 0.030 . 1 . . . . 118 S CA . 17018 1 862 . 1 1 68 68 SER CB C 13 64.138 0.053 . 1 . . . . 118 S CB . 17018 1 863 . 1 1 68 68 SER N N 15 112.653 0.030 . 1 . . . . 118 S N . 17018 1 864 . 1 1 69 69 ARG H H 1 8.221 0.004 . 1 . . . . 119 R HN . 17018 1 865 . 1 1 69 69 ARG HA H 1 4.945 0.003 . 1 . . . . 119 R HA . 17018 1 866 . 1 1 69 69 ARG HB2 H 1 2.010 0.009 . 2 . . . . 119 R QB . 17018 1 867 . 1 1 69 69 ARG HB3 H 1 2.010 0.009 . 2 . . . . 119 R QB . 17018 1 868 . 1 1 69 69 ARG HD2 H 1 3.315 0.009 . 2 . . . . 119 R HD2 . 17018 1 869 . 1 1 69 69 ARG HD3 H 1 3.263 0.009 . 2 . . . . 119 R HD3 . 17018 1 870 . 1 1 69 69 ARG HG2 H 1 1.708 0.005 . 2 . . . . 119 R HG2 . 17018 1 871 . 1 1 69 69 ARG HG3 H 1 1.649 0.002 . 2 . . . . 119 R HG3 . 17018 1 872 . 1 1 69 69 ARG CA C 13 53.782 0.034 . 1 . . . . 119 R CA . 17018 1 873 . 1 1 69 69 ARG CB C 13 30.681 0.041 . 1 . . . . 119 R CB . 17018 1 874 . 1 1 69 69 ARG CD C 13 43.931 0.026 . 1 . . . . 119 R CD . 17018 1 875 . 1 1 69 69 ARG CG C 13 27.316 0.056 . 1 . . . . 119 R CG . 17018 1 876 . 1 1 69 69 ARG N N 15 121.291 0.021 . 1 . . . . 119 R N . 17018 1 877 . 1 1 70 70 PRO HA H 1 4.537 0.003 . 1 . . . . 120 P HA . 17018 1 878 . 1 1 70 70 PRO HB2 H 1 2.511 0.008 . 2 . . . . 120 P HB2 . 17018 1 879 . 1 1 70 70 PRO HB3 H 1 2.049 0.015 . 2 . . . . 120 P HB3 . 17018 1 880 . 1 1 70 70 PRO HD2 H 1 3.725 0.011 . 2 . . . . 120 P HD2 . 17018 1 881 . 1 1 70 70 PRO HD3 H 1 3.413 0.009 . 2 . . . . 120 P HD3 . 17018 1 882 . 1 1 70 70 PRO HG2 H 1 2.110 0.011 . 2 . . . . 120 P HG2 . 17018 1 883 . 1 1 70 70 PRO HG3 H 1 2.056 0.005 . 2 . . . . 120 P HG3 . 17018 1 884 . 1 1 70 70 PRO C C 13 179.168 0.200 . 1 . . . . 120 P C . 17018 1 885 . 1 1 70 70 PRO CA C 13 65.299 0.063 . 1 . . . . 120 P CA . 17018 1 886 . 1 1 70 70 PRO CB C 13 31.665 0.051 . 1 . . . . 120 P CB . 17018 1 887 . 1 1 70 70 PRO CD C 13 50.308 0.042 . 1 . . . . 120 P CD . 17018 1 888 . 1 1 70 70 PRO CG C 13 27.364 0.063 . 1 . . . . 120 P CG . 17018 1 889 . 1 1 71 71 ALA H H 1 8.578 0.004 . 1 . . . . 121 A HN . 17018 1 890 . 1 1 71 71 ALA HA H 1 4.364 0.001 . 1 . . . . 121 A HA . 17018 1 891 . 1 1 71 71 ALA HB1 H 1 1.510 0.009 . 1 . . . . 121 A QB . 17018 1 892 . 1 1 71 71 ALA HB2 H 1 1.510 0.009 . 1 . . . . 121 A QB . 17018 1 893 . 1 1 71 71 ALA HB3 H 1 1.510 0.009 . 1 . . . . 121 A QB . 17018 1 894 . 1 1 71 71 ALA C C 13 179.764 0.200 . 1 . . . . 121 A C . 17018 1 895 . 1 1 71 71 ALA CA C 13 54.397 0.025 . 1 . . . . 121 A CA . 17018 1 896 . 1 1 71 71 ALA CB C 13 18.763 0.050 . 1 . . . . 121 A CB . 17018 1 897 . 1 1 71 71 ALA N N 15 119.987 0.068 . 1 . . . . 121 A N . 17018 1 898 . 1 1 72 72 LYS H H 1 7.976 0.004 . 1 . . . . 122 K HN . 17018 1 899 . 1 1 72 72 LYS HA H 1 4.527 0.003 . 1 . . . . 122 K HA . 17018 1 900 . 1 1 72 72 LYS HB2 H 1 1.813 0.013 . 2 . . . . 122 K HB2 . 17018 1 901 . 1 1 72 72 LYS HB3 H 1 1.766 0.015 . 2 . . . . 122 K HB3 . 17018 1 902 . 1 1 72 72 LYS HD2 H 1 1.660 0.010 . 2 . . . . 122 K QD . 17018 1 903 . 1 1 72 72 LYS HD3 H 1 1.660 0.010 . 2 . . . . 122 K QD . 17018 1 904 . 1 1 72 72 LYS HE2 H 1 2.945 0.004 . 2 . . . . 122 K QE . 17018 1 905 . 1 1 72 72 LYS HE3 H 1 2.945 0.004 . 2 . . . . 122 K QE . 17018 1 906 . 1 1 72 72 LYS HG2 H 1 1.512 0.010 . 2 . . . . 122 K HG2 . 17018 1 907 . 1 1 72 72 LYS HG3 H 1 1.260 0.010 . 2 . . . . 122 K HG3 . 17018 1 908 . 1 1 72 72 LYS C C 13 175.777 0.200 . 1 . . . . 122 K C . 17018 1 909 . 1 1 72 72 LYS CA C 13 54.932 0.032 . 1 . . . . 122 K CA . 17018 1 910 . 1 1 72 72 LYS CB C 13 32.210 0.050 . 1 . . . . 122 K CB . 17018 1 911 . 1 1 72 72 LYS CD C 13 29.063 0.047 . 1 . . . . 122 K CD . 17018 1 912 . 1 1 72 72 LYS CE C 13 42.282 0.200 . 1 . . . . 122 K CE . 17018 1 913 . 1 1 72 72 LYS CG C 13 25.658 0.042 . 1 . . . . 122 K CG . 17018 1 914 . 1 1 72 72 LYS N N 15 116.669 0.030 . 1 . . . . 122 K N . 17018 1 915 . 1 1 73 73 LEU H H 1 7.521 0.004 . 1 . . . . 123 L HN . 17018 1 916 . 1 1 73 73 LEU HA H 1 4.049 0.004 . 1 . . . . 123 L HA . 17018 1 917 . 1 1 73 73 LEU HB2 H 1 1.882 0.009 . 2 . . . . 123 L HB2 . 17018 1 918 . 1 1 73 73 LEU HB3 H 1 1.570 0.012 . 2 . . . . 123 L HB3 . 17018 1 919 . 1 1 73 73 LEU HD11 H 1 0.898 0.009 . . . . . . 123 L QD1 . 17018 1 920 . 1 1 73 73 LEU HD12 H 1 0.898 0.009 . . . . . . 123 L QD1 . 17018 1 921 . 1 1 73 73 LEU HD13 H 1 0.898 0.009 . . . . . . 123 L QD1 . 17018 1 922 . 1 1 73 73 LEU HD21 H 1 0.673 0.007 . . . . . . 123 L QD2 . 17018 1 923 . 1 1 73 73 LEU HD22 H 1 0.673 0.007 . . . . . . 123 L QD2 . 17018 1 924 . 1 1 73 73 LEU HD23 H 1 0.673 0.007 . . . . . . 123 L QD2 . 17018 1 925 . 1 1 73 73 LEU HG H 1 1.312 0.006 . 1 . . . . 123 L HG . 17018 1 926 . 1 1 73 73 LEU C C 13 177.832 0.200 . 1 . . . . 123 L C . 17018 1 927 . 1 1 73 73 LEU CA C 13 59.452 0.063 . 1 . . . . 123 L CA . 17018 1 928 . 1 1 73 73 LEU CB C 13 42.253 0.063 . 1 . . . . 123 L CB . 17018 1 929 . 1 1 73 73 LEU CD1 C 13 23.829 0.035 . 2 . . . . 123 L CD1 . 17018 1 930 . 1 1 73 73 LEU CD2 C 13 26.783 0.038 . 2 . . . . 123 L CD2 . 17018 1 931 . 1 1 73 73 LEU CG C 13 26.854 0.041 . 1 . . . . 123 L CG . 17018 1 932 . 1 1 73 73 LEU N N 15 120.159 0.034 . 1 . . . . 123 L N . 17018 1 933 . 1 1 74 74 TYR H H 1 8.500 0.003 . 1 . . . . 124 Y HN . 17018 1 934 . 1 1 74 74 TYR HA H 1 4.078 0.004 . 1 . . . . 124 Y HA . 17018 1 935 . 1 1 74 74 TYR HB2 H 1 3.005 0.005 . 2 . . . . 124 Y HB2 . 17018 1 936 . 1 1 74 74 TYR HB3 H 1 2.925 0.007 . 2 . . . . 124 Y HB3 . 17018 1 937 . 1 1 74 74 TYR HD1 H 1 7.228 0.004 . 3 . . . . 124 Y QD . 17018 1 938 . 1 1 74 74 TYR HD2 H 1 7.228 0.004 . 3 . . . . 124 Y QD . 17018 1 939 . 1 1 74 74 TYR HE1 H 1 6.803 0.002 . 3 . . . . 124 Y QE . 17018 1 940 . 1 1 74 74 TYR HE2 H 1 6.803 0.002 . 3 . . . . 124 Y QE . 17018 1 941 . 1 1 74 74 TYR C C 13 178.739 0.200 . 1 . . . . 124 Y C . 17018 1 942 . 1 1 74 74 TYR CA C 13 62.767 0.042 . 1 . . . . 124 Y CA . 17018 1 943 . 1 1 74 74 TYR CB C 13 36.792 0.040 . 1 . . . . 124 Y CB . 17018 1 944 . 1 1 74 74 TYR CD1 C 13 132.930 0.048 . 3 . . . . 124 Y CD1 . 17018 1 945 . 1 1 74 74 TYR CE1 C 13 118.110 0.068 . 3 . . . . 124 Y CE1 . 17018 1 946 . 1 1 74 74 TYR N N 15 113.351 0.045 . 1 . . . . 124 Y N . 17018 1 947 . 1 1 75 75 VAL H H 1 7.465 0.003 . 1 . . . . 125 V HN . 17018 1 948 . 1 1 75 75 VAL HA H 1 3.676 0.006 . 1 . . . . 125 V HA . 17018 1 949 . 1 1 75 75 VAL HB H 1 1.896 0.004 . 1 . . . . 125 V HB . 17018 1 950 . 1 1 75 75 VAL HG11 H 1 0.819 0.007 . . . . . . 125 V QG1 . 17018 1 951 . 1 1 75 75 VAL HG12 H 1 0.819 0.007 . . . . . . 125 V QG1 . 17018 1 952 . 1 1 75 75 VAL HG13 H 1 0.819 0.007 . . . . . . 125 V QG1 . 17018 1 953 . 1 1 75 75 VAL HG21 H 1 0.871 0.007 . . . . . . 125 V QG2 . 17018 1 954 . 1 1 75 75 VAL HG22 H 1 0.871 0.007 . . . . . . 125 V QG2 . 17018 1 955 . 1 1 75 75 VAL HG23 H 1 0.871 0.007 . . . . . . 125 V QG2 . 17018 1 956 . 1 1 75 75 VAL C C 13 179.103 0.200 . 1 . . . . 125 V C . 17018 1 957 . 1 1 75 75 VAL CA C 13 66.048 0.044 . 1 . . . . 125 V CA . 17018 1 958 . 1 1 75 75 VAL CB C 13 31.236 0.028 . 1 . . . . 125 V CB . 17018 1 959 . 1 1 75 75 VAL CG1 C 13 20.952 0.049 . 2 . . . . 125 V CG1 . 17018 1 960 . 1 1 75 75 VAL CG2 C 13 22.084 0.034 . 2 . . . . 125 V CG2 . 17018 1 961 . 1 1 75 75 VAL N N 15 121.939 0.028 . 1 . . . . 125 V N . 17018 1 962 . 1 1 76 76 TYR H H 1 7.112 0.003 . 1 . . . . 126 Y HN . 17018 1 963 . 1 1 76 76 TYR HA H 1 4.659 0.004 . 1 . . . . 126 Y HA . 17018 1 964 . 1 1 76 76 TYR HB2 H 1 3.377 0.004 . 2 . . . . 126 Y HB2 . 17018 1 965 . 1 1 76 76 TYR HB3 H 1 3.071 0.007 . 2 . . . . 126 Y HB3 . 17018 1 966 . 1 1 76 76 TYR HD1 H 1 6.960 0.004 . 3 . . . . 126 Y QD . 17018 1 967 . 1 1 76 76 TYR HD2 H 1 6.960 0.004 . 3 . . . . 126 Y QD . 17018 1 968 . 1 1 76 76 TYR HE1 H 1 6.808 0.006 . 3 . . . . 126 Y QE . 17018 1 969 . 1 1 76 76 TYR HE2 H 1 6.808 0.006 . 3 . . . . 126 Y QE . 17018 1 970 . 1 1 76 76 TYR C C 13 178.617 0.200 . 1 . . . . 126 Y C . 17018 1 971 . 1 1 76 76 TYR CA C 13 59.246 0.034 . 1 . . . . 126 Y CA . 17018 1 972 . 1 1 76 76 TYR CB C 13 37.165 0.047 . 1 . . . . 126 Y CB . 17018 1 973 . 1 1 76 76 TYR CD1 C 13 132.024 0.045 . 3 . . . . 126 Y CD1 . 17018 1 974 . 1 1 76 76 TYR CE1 C 13 118.810 0.082 . 3 . . . . 126 Y CE1 . 17018 1 975 . 1 1 76 76 TYR N N 15 121.958 0.029 . 1 . . . . 126 Y N . 17018 1 976 . 1 1 77 77 ILE H H 1 8.955 0.003 . 1 . . . . 127 I HN . 17018 1 977 . 1 1 77 77 ILE HA H 1 3.762 0.008 . 1 . . . . 127 I HA . 17018 1 978 . 1 1 77 77 ILE HB H 1 2.002 0.018 . 1 . . . . 127 I HB . 17018 1 979 . 1 1 77 77 ILE HD11 H 1 0.635 0.007 . 1 . . . . 127 I QD1 . 17018 1 980 . 1 1 77 77 ILE HD12 H 1 0.635 0.007 . 1 . . . . 127 I QD1 . 17018 1 981 . 1 1 77 77 ILE HD13 H 1 0.635 0.007 . 1 . . . . 127 I QD1 . 17018 1 982 . 1 1 77 77 ILE HG12 H 1 2.023 0.010 . 2 . . . . 127 I HG12 . 17018 1 983 . 1 1 77 77 ILE HG13 H 1 1.114 0.011 . 2 . . . . 127 I HG13 . 17018 1 984 . 1 1 77 77 ILE HG21 H 1 1.083 0.007 . 1 . . . . 127 I QG2 . 17018 1 985 . 1 1 77 77 ILE HG22 H 1 1.083 0.007 . 1 . . . . 127 I QG2 . 17018 1 986 . 1 1 77 77 ILE HG23 H 1 1.083 0.007 . 1 . . . . 127 I QG2 . 17018 1 987 . 1 1 77 77 ILE C C 13 178.407 0.200 . 1 . . . . 127 I C . 17018 1 988 . 1 1 77 77 ILE CA C 13 67.033 0.033 . 1 . . . . 127 I CA . 17018 1 989 . 1 1 77 77 ILE CB C 13 38.930 0.038 . 1 . . . . 127 I CB . 17018 1 990 . 1 1 77 77 ILE CD1 C 13 14.701 0.034 . 1 . . . . 127 I CD1 . 17018 1 991 . 1 1 77 77 ILE CG1 C 13 29.903 0.041 . 1 . . . . 127 I CG1 . 17018 1 992 . 1 1 77 77 ILE CG2 C 13 17.674 0.040 . 1 . . . . 127 I CG2 . 17018 1 993 . 1 1 77 77 ILE N N 15 119.819 0.029 . 1 . . . . 127 I N . 17018 1 994 . 1 1 78 78 ASN H H 1 8.132 0.003 . 1 . . . . 128 N HN . 17018 1 995 . 1 1 78 78 ASN HA H 1 4.549 0.003 . 1 . . . . 128 N HA . 17018 1 996 . 1 1 78 78 ASN HB2 H 1 2.974 0.007 . 2 . . . . 128 N QB . 17018 1 997 . 1 1 78 78 ASN HB3 H 1 2.974 0.007 . 2 . . . . 128 N QB . 17018 1 998 . 1 1 78 78 ASN HD21 H 1 7.730 0.005 . 2 . . . . 128 N HD21 . 17018 1 999 . 1 1 78 78 ASN HD22 H 1 6.944 0.003 . 2 . . . . 128 N HD22 . 17018 1 1000 . 1 1 78 78 ASN C C 13 178.374 0.200 . 1 . . . . 128 N C . 17018 1 1001 . 1 1 78 78 ASN CA C 13 57.285 0.034 . 1 . . . . 128 N CA . 17018 1 1002 . 1 1 78 78 ASN CB C 13 38.366 0.045 . 1 . . . . 128 N CB . 17018 1 1003 . 1 1 78 78 ASN CG C 13 176.007 0.013 . 1 . . . . 128 N CG . 17018 1 1004 . 1 1 78 78 ASN N N 15 118.876 0.020 . 1 . . . . 128 N N . 17018 1 1005 . 1 1 78 78 ASN ND2 N 15 113.191 0.019 . 1 . . . . 128 N ND2 . 17018 1 1006 . 1 1 79 79 GLU H H 1 8.499 0.004 . 1 . . . . 129 E HN . 17018 1 1007 . 1 1 79 79 GLU HA H 1 4.103 0.005 . 1 . . . . 129 E HA . 17018 1 1008 . 1 1 79 79 GLU HB2 H 1 2.371 0.008 . 2 . . . . 129 E HB2 . 17018 1 1009 . 1 1 79 79 GLU HB3 H 1 2.243 0.005 . 2 . . . . 129 E HB3 . 17018 1 1010 . 1 1 79 79 GLU HG2 H 1 2.544 0.004 . 2 . . . . 129 E HG2 . 17018 1 1011 . 1 1 79 79 GLU HG3 H 1 2.157 0.002 . 2 . . . . 129 E HG3 . 17018 1 1012 . 1 1 79 79 GLU C C 13 179.230 0.200 . 1 . . . . 129 E C . 17018 1 1013 . 1 1 79 79 GLU CA C 13 60.216 0.047 . 1 . . . . 129 E CA . 17018 1 1014 . 1 1 79 79 GLU CB C 13 29.802 0.043 . 1 . . . . 129 E CB . 17018 1 1015 . 1 1 79 79 GLU CG C 13 36.152 0.063 . 1 . . . . 129 E CG . 17018 1 1016 . 1 1 79 79 GLU N N 15 123.078 0.020 . 1 . . . . 129 E N . 17018 1 1017 . 1 1 80 80 LEU H H 1 8.292 0.003 . 1 . . . . 130 L HN . 17018 1 1018 . 1 1 80 80 LEU HA H 1 4.181 0.006 . 1 . . . . 130 L HA . 17018 1 1019 . 1 1 80 80 LEU HB2 H 1 1.984 0.011 . 2 . . . . 130 L HB2 . 17018 1 1020 . 1 1 80 80 LEU HB3 H 1 1.629 0.013 . 2 . . . . 130 L HB3 . 17018 1 1021 . 1 1 80 80 LEU HD11 H 1 0.868 0.007 . . . . . . 130 L QD1 . 17018 1 1022 . 1 1 80 80 LEU HD12 H 1 0.868 0.007 . . . . . . 130 L QD1 . 17018 1 1023 . 1 1 80 80 LEU HD13 H 1 0.868 0.007 . . . . . . 130 L QD1 . 17018 1 1024 . 1 1 80 80 LEU HD21 H 1 0.820 0.009 . . . . . . 130 L QD2 . 17018 1 1025 . 1 1 80 80 LEU HD22 H 1 0.820 0.009 . . . . . . 130 L QD2 . 17018 1 1026 . 1 1 80 80 LEU HD23 H 1 0.820 0.009 . . . . . . 130 L QD2 . 17018 1 1027 . 1 1 80 80 LEU HG H 1 1.764 0.015 . 1 . . . . 130 L HG . 17018 1 1028 . 1 1 80 80 LEU C C 13 179.045 0.200 . 1 . . . . 130 L C . 17018 1 1029 . 1 1 80 80 LEU CA C 13 57.789 0.041 . 1 . . . . 130 L CA . 17018 1 1030 . 1 1 80 80 LEU CB C 13 42.205 0.033 . 1 . . . . 130 L CB . 17018 1 1031 . 1 1 80 80 LEU CD1 C 13 24.465 0.042 . 2 . . . . 130 L CD1 . 17018 1 1032 . 1 1 80 80 LEU CD2 C 13 26.343 0.039 . 2 . . . . 130 L CD2 . 17018 1 1033 . 1 1 80 80 LEU CG C 13 27.140 0.060 . 1 . . . . 130 L CG . 17018 1 1034 . 1 1 80 80 LEU N N 15 119.815 0.043 . 1 . . . . 130 L N . 17018 1 1035 . 1 1 81 81 CYS H H 1 8.967 0.003 . 1 . . . . 131 C HN . 17018 1 1036 . 1 1 81 81 CYS HA H 1 4.028 0.004 . 1 . . . . 131 C HA . 17018 1 1037 . 1 1 81 81 CYS HB2 H 1 3.457 0.008 . 2 . . . . 131 C HB2 . 17018 1 1038 . 1 1 81 81 CYS HB3 H 1 2.965 0.009 . 2 . . . . 131 C HB3 . 17018 1 1039 . 1 1 81 81 CYS C C 13 177.154 0.200 . 1 . . . . 131 C C . 17018 1 1040 . 1 1 81 81 CYS CA C 13 65.701 0.098 . 1 . . . . 131 C CA . 17018 1 1041 . 1 1 81 81 CYS CB C 13 27.374 0.047 . 1 . . . . 131 C CB . 17018 1 1042 . 1 1 81 81 CYS N N 15 116.706 0.016 . 1 . . . . 131 C N . 17018 1 1043 . 1 1 82 82 THR H H 1 8.523 0.004 . 1 . . . . 132 T HN . 17018 1 1044 . 1 1 82 82 THR HA H 1 3.947 0.002 . 1 . . . . 132 T HA . 17018 1 1045 . 1 1 82 82 THR HB H 1 4.463 0.004 . 1 . . . . 132 T HB . 17018 1 1046 . 1 1 82 82 THR HG21 H 1 1.279 0.009 . 1 . . . . 132 T QG2 . 17018 1 1047 . 1 1 82 82 THR HG22 H 1 1.279 0.009 . 1 . . . . 132 T QG2 . 17018 1 1048 . 1 1 82 82 THR HG23 H 1 1.279 0.009 . 1 . . . . 132 T QG2 . 17018 1 1049 . 1 1 82 82 THR C C 13 176.700 0.200 . 1 . . . . 132 T C . 17018 1 1050 . 1 1 82 82 THR CA C 13 67.312 0.027 . 1 . . . . 132 T CA . 17018 1 1051 . 1 1 82 82 THR CB C 13 68.757 0.063 . 1 . . . . 132 T CB . 17018 1 1052 . 1 1 82 82 THR CG2 C 13 21.405 0.036 . 1 . . . . 132 T CG2 . 17018 1 1053 . 1 1 82 82 THR N N 15 118.620 0.024 . 1 . . . . 132 T N . 17018 1 1054 . 1 1 83 83 VAL H H 1 8.031 0.003 . 1 . . . . 133 V HN . 17018 1 1055 . 1 1 83 83 VAL HA H 1 4.031 0.001 . 1 . . . . 133 V HA . 17018 1 1056 . 1 1 83 83 VAL HB H 1 2.398 0.003 . 1 . . . . 133 V HB . 17018 1 1057 . 1 1 83 83 VAL HG11 H 1 1.245 0.007 . . . . . . 133 V QG1 . 17018 1 1058 . 1 1 83 83 VAL HG12 H 1 1.245 0.007 . . . . . . 133 V QG1 . 17018 1 1059 . 1 1 83 83 VAL HG13 H 1 1.245 0.007 . . . . . . 133 V QG1 . 17018 1 1060 . 1 1 83 83 VAL HG21 H 1 1.268 0.009 . . . . . . 133 V QG2 . 17018 1 1061 . 1 1 83 83 VAL HG22 H 1 1.268 0.009 . . . . . . 133 V QG2 . 17018 1 1062 . 1 1 83 83 VAL HG23 H 1 1.268 0.009 . . . . . . 133 V QG2 . 17018 1 1063 . 1 1 83 83 VAL C C 13 178.525 0.200 . 1 . . . . 133 V C . 17018 1 1064 . 1 1 83 83 VAL CA C 13 65.837 0.038 . 1 . . . . 133 V CA . 17018 1 1065 . 1 1 83 83 VAL CB C 13 31.984 0.064 . 1 . . . . 133 V CB . 17018 1 1066 . 1 1 83 83 VAL CG1 C 13 21.702 0.033 . 2 . . . . 133 V CG1 . 17018 1 1067 . 1 1 83 83 VAL CG2 C 13 22.868 0.058 . 2 . . . . 133 V CG2 . 17018 1 1068 . 1 1 83 83 VAL N N 15 122.966 0.021 . 1 . . . . 133 V N . 17018 1 1069 . 1 1 84 84 LEU H H 1 8.324 0.005 . 1 . . . . 134 L HN . 17018 1 1070 . 1 1 84 84 LEU HA H 1 3.807 0.006 . 1 . . . . 134 L HA . 17018 1 1071 . 1 1 84 84 LEU HB2 H 1 1.880 0.009 . 2 . . . . 134 L HB2 . 17018 1 1072 . 1 1 84 84 LEU HB3 H 1 1.163 0.011 . 2 . . . . 134 L HB3 . 17018 1 1073 . 1 1 84 84 LEU HD11 H 1 0.845 0.004 . . . . . . 134 L QD1 . 17018 1 1074 . 1 1 84 84 LEU HD12 H 1 0.845 0.004 . . . . . . 134 L QD1 . 17018 1 1075 . 1 1 84 84 LEU HD13 H 1 0.845 0.004 . . . . . . 134 L QD1 . 17018 1 1076 . 1 1 84 84 LEU HD21 H 1 0.651 0.007 . . . . . . 134 L QD2 . 17018 1 1077 . 1 1 84 84 LEU HD22 H 1 0.651 0.007 . . . . . . 134 L QD2 . 17018 1 1078 . 1 1 84 84 LEU HD23 H 1 0.651 0.007 . . . . . . 134 L QD2 . 17018 1 1079 . 1 1 84 84 LEU HG H 1 1.850 0.013 . 1 . . . . 134 L HG . 17018 1 1080 . 1 1 84 84 LEU C C 13 180.446 0.200 . 1 . . . . 134 L C . 17018 1 1081 . 1 1 84 84 LEU CA C 13 58.452 0.036 . 1 . . . . 134 L CA . 17018 1 1082 . 1 1 84 84 LEU CB C 13 41.861 0.056 . 1 . . . . 134 L CB . 17018 1 1083 . 1 1 84 84 LEU CD1 C 13 25.763 0.058 . 2 . . . . 134 L CD1 . 17018 1 1084 . 1 1 84 84 LEU CD2 C 13 23.441 0.035 . 2 . . . . 134 L CD2 . 17018 1 1085 . 1 1 84 84 LEU CG C 13 27.455 0.064 . 1 . . . . 134 L CG . 17018 1 1086 . 1 1 84 84 LEU N N 15 120.541 0.024 . 1 . . . . 134 L N . 17018 1 1087 . 1 1 85 85 LYS H H 1 8.282 0.003 . 1 . . . . 135 K HN . 17018 1 1088 . 1 1 85 85 LYS HA H 1 3.883 0.005 . 1 . . . . 135 K HA . 17018 1 1089 . 1 1 85 85 LYS HB2 H 1 2.020 0.003 . 2 . . . . 135 K HB2 . 17018 1 1090 . 1 1 85 85 LYS HB3 H 1 1.796 0.011 . 2 . . . . 135 K HB3 . 17018 1 1091 . 1 1 85 85 LYS HD2 H 1 1.645 0.005 . 2 . . . . 135 K QD . 17018 1 1092 . 1 1 85 85 LYS HD3 H 1 1.645 0.005 . 2 . . . . 135 K QD . 17018 1 1093 . 1 1 85 85 LYS HE2 H 1 2.977 0.009 . 2 . . . . 135 K QE . 17018 1 1094 . 1 1 85 85 LYS HE3 H 1 2.977 0.009 . 2 . . . . 135 K QE . 17018 1 1095 . 1 1 85 85 LYS HG2 H 1 1.431 0.011 . 2 . . . . 135 K QG . 17018 1 1096 . 1 1 85 85 LYS HG3 H 1 1.431 0.011 . 2 . . . . 135 K QG . 17018 1 1097 . 1 1 85 85 LYS C C 13 178.558 0.200 . 1 . . . . 135 K C . 17018 1 1098 . 1 1 85 85 LYS CA C 13 59.404 0.036 . 1 . . . . 135 K CA . 17018 1 1099 . 1 1 85 85 LYS CB C 13 32.530 0.051 . 1 . . . . 135 K CB . 17018 1 1100 . 1 1 85 85 LYS CD C 13 29.647 0.079 . 1 . . . . 135 K CD . 17018 1 1101 . 1 1 85 85 LYS CE C 13 42.278 0.022 . 1 . . . . 135 K CE . 17018 1 1102 . 1 1 85 85 LYS CG C 13 25.189 0.029 . 1 . . . . 135 K CG . 17018 1 1103 . 1 1 85 85 LYS N N 15 122.164 0.032 . 1 . . . . 135 K N . 17018 1 1104 . 1 1 86 86 ALA H H 1 7.641 0.004 . 1 . . . . 136 A HN . 17018 1 1105 . 1 1 86 86 ALA HA H 1 4.073 0.005 . 1 . . . . 136 A HA . 17018 1 1106 . 1 1 86 86 ALA HB1 H 1 1.295 0.008 . 1 . . . . 136 A QB . 17018 1 1107 . 1 1 86 86 ALA HB2 H 1 1.295 0.008 . 1 . . . . 136 A QB . 17018 1 1108 . 1 1 86 86 ALA HB3 H 1 1.295 0.008 . 1 . . . . 136 A QB . 17018 1 1109 . 1 1 86 86 ALA C C 13 177.688 0.200 . 1 . . . . 136 A C . 17018 1 1110 . 1 1 86 86 ALA CA C 13 53.795 0.022 . 1 . . . . 136 A CA . 17018 1 1111 . 1 1 86 86 ALA CB C 13 17.821 0.041 . 1 . . . . 136 A CB . 17018 1 1112 . 1 1 86 86 ALA N N 15 120.638 0.025 . 1 . . . . 136 A N . 17018 1 1113 . 1 1 87 87 HIS H H 1 7.075 0.003 . 1 . . . . 137 H HN . 17018 1 1114 . 1 1 87 87 HIS HA H 1 4.536 0.004 . 1 . . . . 137 H HA . 17018 1 1115 . 1 1 87 87 HIS HB2 H 1 3.005 0.005 . 2 . . . . 137 H HB2 . 17018 1 1116 . 1 1 87 87 HIS HB3 H 1 1.902 0.006 . 2 . . . . 137 H HB3 . 17018 1 1117 . 1 1 87 87 HIS HD2 H 1 6.800 0.002 . 1 . . . . 137 H HD2 . 17018 1 1118 . 1 1 87 87 HIS HE1 H 1 8.197 0.001 . 1 . . . . 137 H HE1 . 17018 1 1119 . 1 1 87 87 HIS C C 13 172.915 0.200 . 1 . . . . 137 H C . 17018 1 1120 . 1 1 87 87 HIS CA C 13 54.610 0.099 . 1 . . . . 137 H CA . 17018 1 1121 . 1 1 87 87 HIS CB C 13 28.214 0.057 . 1 . . . . 137 H CB . 17018 1 1122 . 1 1 87 87 HIS CD2 C 13 120.932 0.086 . 1 . . . . 137 H CD2 . 17018 1 1123 . 1 1 87 87 HIS CE1 C 13 136.139 0.033 . 1 . . . . 137 H CE1 . 17018 1 1124 . 1 1 87 87 HIS N N 15 115.139 0.026 . 1 . . . . 137 H N . 17018 1 1125 . 1 1 88 88 SER H H 1 7.178 0.005 . 1 . . . . 138 S HN . 17018 1 1126 . 1 1 88 88 SER HA H 1 4.451 0.004 . 1 . . . . 138 S HA . 17018 1 1127 . 1 1 88 88 SER HB2 H 1 3.945 0.017 . 2 . . . . 138 S HB2 . 17018 1 1128 . 1 1 88 88 SER HB3 H 1 3.817 0.011 . 2 . . . . 138 S HB3 . 17018 1 1129 . 1 1 88 88 SER C C 13 174.586 0.200 . 1 . . . . 138 S C . 17018 1 1130 . 1 1 88 88 SER CA C 13 58.869 0.015 . 1 . . . . 138 S CA . 17018 1 1131 . 1 1 88 88 SER CB C 13 64.483 0.064 . 1 . . . . 138 S CB . 17018 1 1132 . 1 1 88 88 SER N N 15 114.067 0.030 . 1 . . . . 138 S N . 17018 1 1133 . 1 1 89 89 ALA H H 1 8.859 0.003 . 1 . . . . 139 A HN . 17018 1 1134 . 1 1 89 89 ALA HA H 1 4.267 0.004 . 1 . . . . 139 A HA . 17018 1 1135 . 1 1 89 89 ALA HB1 H 1 1.350 0.009 . 1 . . . . 139 A QB . 17018 1 1136 . 1 1 89 89 ALA HB2 H 1 1.350 0.009 . 1 . . . . 139 A QB . 17018 1 1137 . 1 1 89 89 ALA HB3 H 1 1.350 0.009 . 1 . . . . 139 A QB . 17018 1 1138 . 1 1 89 89 ALA C C 13 177.652 0.200 . 1 . . . . 139 A C . 17018 1 1139 . 1 1 89 89 ALA CA C 13 53.078 0.020 . 1 . . . . 139 A CA . 17018 1 1140 . 1 1 89 89 ALA CB C 13 19.252 0.046 . 1 . . . . 139 A CB . 17018 1 1141 . 1 1 89 89 ALA N N 15 127.014 0.020 . 1 . . . . 139 A N . 17018 1 1142 . 1 1 90 90 LYS H H 1 8.360 0.008 . 1 . . . . 140 K HN . 17018 1 1143 . 1 1 90 90 LYS HA H 1 4.308 0.020 . 1 . . . . 140 K HA . 17018 1 1144 . 1 1 90 90 LYS HB2 H 1 1.836 0.009 . 2 . . . . 140 K HB2 . 17018 1 1145 . 1 1 90 90 LYS HB3 H 1 1.739 0.009 . 2 . . . . 140 K HB3 . 17018 1 1146 . 1 1 90 90 LYS HD2 H 1 1.704 0.004 . 2 . . . . 140 K QD . 17018 1 1147 . 1 1 90 90 LYS HD3 H 1 1.704 0.004 . 2 . . . . 140 K QD . 17018 1 1148 . 1 1 90 90 LYS HE2 H 1 2.997 0.020 . 2 . . . . 140 K QE . 17018 1 1149 . 1 1 90 90 LYS HE3 H 1 2.997 0.020 . 2 . . . . 140 K QE . 17018 1 1150 . 1 1 90 90 LYS HG2 H 1 1.436 0.020 . 2 . . . . 140 K QG . 17018 1 1151 . 1 1 90 90 LYS HG3 H 1 1.436 0.020 . 2 . . . . 140 K QG . 17018 1 1152 . 1 1 90 90 LYS C C 13 176.417 0.200 . 1 . . . . 140 K C . 17018 1 1153 . 1 1 90 90 LYS CA C 13 56.189 0.023 . 1 . . . . 140 K CA . 17018 1 1154 . 1 1 90 90 LYS CB C 13 33.078 0.018 . 1 . . . . 140 K CB . 17018 1 1155 . 1 1 90 90 LYS CD C 13 29.208 0.042 . 1 . . . . 140 K CD . 17018 1 1156 . 1 1 90 90 LYS CE C 13 42.236 0.200 . 1 . . . . 140 K CE . 17018 1 1157 . 1 1 90 90 LYS CG C 13 24.867 0.200 . 1 . . . . 140 K CG . 17018 1 1158 . 1 1 90 90 LYS N N 15 120.186 0.041 . 1 . . . . 140 K N . 17018 1 1159 . 1 1 91 91 LYS H H 1 8.220 0.003 . 1 . . . . 141 K HN . 17018 1 1160 . 1 1 91 91 LYS HA H 1 4.277 0.001 . 1 . . . . 141 K HA . 17018 1 1161 . 1 1 91 91 LYS HB2 H 1 1.776 0.003 . 2 . . . . 141 K QB . 17018 1 1162 . 1 1 91 91 LYS HB3 H 1 1.776 0.003 . 2 . . . . 141 K QB . 17018 1 1163 . 1 1 91 91 LYS HD2 H 1 1.692 0.020 . 2 . . . . 141 K QD . 17018 1 1164 . 1 1 91 91 LYS HD3 H 1 1.692 0.020 . 2 . . . . 141 K QD . 17018 1 1165 . 1 1 91 91 LYS HE2 H 1 2.981 0.020 . 2 . . . . 141 K QE . 17018 1 1166 . 1 1 91 91 LYS HE3 H 1 2.981 0.020 . 2 . . . . 141 K QE . 17018 1 1167 . 1 1 91 91 LYS HG2 H 1 1.401 0.013 . 2 . . . . 141 K QG . 17018 1 1168 . 1 1 91 91 LYS HG3 H 1 1.401 0.013 . 2 . . . . 141 K QG . 17018 1 1169 . 1 1 91 91 LYS C C 13 176.173 0.200 . 1 . . . . 141 K C . 17018 1 1170 . 1 1 91 91 LYS CA C 13 56.308 0.016 . 1 . . . . 141 K CA . 17018 1 1171 . 1 1 91 91 LYS CB C 13 33.316 0.087 . 1 . . . . 141 K CB . 17018 1 1172 . 1 1 91 91 LYS CD C 13 29.288 0.200 . 1 . . . . 141 K CD . 17018 1 1173 . 1 1 91 91 LYS CE C 13 42.212 0.200 . 1 . . . . 141 K CE . 17018 1 1174 . 1 1 91 91 LYS CG C 13 24.787 0.033 . 1 . . . . 141 K CG . 17018 1 1175 . 1 1 91 91 LYS N N 15 122.944 0.020 . 1 . . . . 141 K N . 17018 1 1176 . 1 1 92 92 LYS H H 1 8.348 0.003 . 1 . . . . 142 K HN . 17018 1 1177 . 1 1 92 92 LYS HA H 1 4.316 0.001 . 1 . . . . 142 K HA . 17018 1 1178 . 1 1 92 92 LYS HB2 H 1 1.828 0.011 . 2 . . . . 142 K HB2 . 17018 1 1179 . 1 1 92 92 LYS HB3 H 1 1.755 0.005 . 2 . . . . 142 K HB3 . 17018 1 1180 . 1 1 92 92 LYS HD2 H 1 1.703 0.020 . 2 . . . . 142 K QD . 17018 1 1181 . 1 1 92 92 LYS HD3 H 1 1.703 0.020 . 2 . . . . 142 K QD . 17018 1 1182 . 1 1 92 92 LYS HE2 H 1 3.005 0.020 . 2 . . . . 142 K QE . 17018 1 1183 . 1 1 92 92 LYS HE3 H 1 3.005 0.020 . 2 . . . . 142 K QE . 17018 1 1184 . 1 1 92 92 LYS HG2 H 1 1.426 0.005 . 2 . . . . 142 K QG . 17018 1 1185 . 1 1 92 92 LYS HG3 H 1 1.426 0.005 . 2 . . . . 142 K QG . 17018 1 1186 . 1 1 92 92 LYS C C 13 176.194 0.200 . 1 . . . . 142 K C . 17018 1 1187 . 1 1 92 92 LYS CA C 13 56.305 0.054 . 1 . . . . 142 K CA . 17018 1 1188 . 1 1 92 92 LYS CB C 13 33.222 0.045 . 1 . . . . 142 K CB . 17018 1 1189 . 1 1 92 92 LYS CD C 13 29.285 0.200 . 1 . . . . 142 K CD . 17018 1 1190 . 1 1 92 92 LYS CE C 13 42.213 0.200 . 1 . . . . 142 K CE . 17018 1 1191 . 1 1 92 92 LYS CG C 13 24.807 0.018 . 1 . . . . 142 K CG . 17018 1 1192 . 1 1 92 92 LYS N N 15 123.485 0.032 . 1 . . . . 142 K N . 17018 1 1193 . 1 1 93 93 LEU H H 1 8.390 0.006 . 1 . . . . 143 L HN . 17018 1 1194 . 1 1 93 93 LEU HA H 1 4.355 0.007 . 1 . . . . 143 L HA . 17018 1 1195 . 1 1 93 93 LEU HB2 H 1 1.609 0.016 . 2 . . . . 143 L QB . 17018 1 1196 . 1 1 93 93 LEU HB3 H 1 1.609 0.016 . 2 . . . . 143 L QB . 17018 1 1197 . 1 1 93 93 LEU HD11 H 1 0.904 0.013 . . . . . . 143 L QD1 . 17018 1 1198 . 1 1 93 93 LEU HD12 H 1 0.904 0.013 . . . . . . 143 L QD1 . 17018 1 1199 . 1 1 93 93 LEU HD13 H 1 0.904 0.013 . . . . . . 143 L QD1 . 17018 1 1200 . 1 1 93 93 LEU HD21 H 1 0.841 0.014 . . . . . . 143 L QD2 . 17018 1 1201 . 1 1 93 93 LEU HD22 H 1 0.841 0.014 . . . . . . 143 L QD2 . 17018 1 1202 . 1 1 93 93 LEU HD23 H 1 0.841 0.014 . . . . . . 143 L QD2 . 17018 1 1203 . 1 1 93 93 LEU HG H 1 1.626 0.003 . 1 . . . . 143 L HG . 17018 1 1204 . 1 1 93 93 LEU C C 13 176.148 0.200 . 1 . . . . 143 L C . 17018 1 1205 . 1 1 93 93 LEU CA C 13 55.250 0.007 . 1 . . . . 143 L CA . 17018 1 1206 . 1 1 93 93 LEU CB C 13 42.560 0.031 . 1 . . . . 143 L CB . 17018 1 1207 . 1 1 93 93 LEU CD1 C 13 25.058 0.030 . 2 . . . . 143 L CD1 . 17018 1 1208 . 1 1 93 93 LEU CD2 C 13 23.441 0.032 . 2 . . . . 143 L CD2 . 17018 1 1209 . 1 1 93 93 LEU CG C 13 27.028 0.049 . 1 . . . . 143 L CG . 17018 1 1210 . 1 1 93 93 LEU N N 15 124.776 0.026 . 1 . . . . 143 L N . 17018 1 1211 . 1 1 94 94 ASN H H 1 7.931 0.003 . 1 . . . . 144 N HN . 17018 1 1212 . 1 1 94 94 ASN HA H 1 4.411 0.009 . 1 . . . . 144 N HA . 17018 1 1213 . 1 1 94 94 ASN HB2 H 1 2.749 0.011 . 2 . . . . 144 N HB2 . 17018 1 1214 . 1 1 94 94 ASN HB3 H 1 2.697 0.004 . 2 . . . . 144 N HB3 . 17018 1 1215 . 1 1 94 94 ASN HD21 H 1 7.516 0.002 . 2 . . . . 144 N HD21 . 17018 1 1216 . 1 1 94 94 ASN HD22 H 1 6.799 0.003 . 2 . . . . 144 N HD22 . 17018 1 1217 . 1 1 94 94 ASN CA C 13 54.718 0.063 . 1 . . . . 144 N CA . 17018 1 1218 . 1 1 94 94 ASN CB C 13 40.374 0.030 . 1 . . . . 144 N CB . 17018 1 1219 . 1 1 94 94 ASN CG C 13 178.329 0.013 . 1 . . . . 144 N CG . 17018 1 1220 . 1 1 94 94 ASN N N 15 124.004 0.018 . 1 . . . . 144 N N . 17018 1 1221 . 1 1 94 94 ASN ND2 N 15 112.786 0.011 . 1 . . . . 144 N ND2 . 17018 1 stop_ save_