################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18628 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Set1 _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/HMQC' 1 $13C15N isotropic 18628 1 2 '3D HNCACB' 1 $13C15N isotropic 18628 1 3 '3D CBCA(CO)NH' 1 $13C15N isotropic 18628 1 4 '3D C(CO)NH' 1 $13C15N isotropic 18628 1 5 '3D 1H-15N NOESY' 1 $13C15N isotropic 18628 1 6 '3D 1H-13C NOESY' 1 $13C15N isotropic 18628 1 7 '2D 1H-13C HSQC/HMQC' 1 $13C15N isotropic 18628 1 8 '3D 1H-15N TOCSY' 1 $13C15N isotropic 18628 1 9 '3D HCCH-TOCSY' 1 $13C15N isotropic 18628 1 12 hbCBcgcdceHE 1 $13C15N isotropic 18628 1 13 '3D HNCO' 1 $13C15N isotropic 18628 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.490 0.006 . 1 . . 1171 . . 1 MET HA . 18628 1 2 . 1 1 1 1 MET HB3 H 1 1.994 0.002 . 1 . . 1173 . . 1 MET HB3 . 18628 1 3 . 1 1 1 1 MET HG2 H 1 2.529 0.011 . 2 . . 1174 . . 1 MET HG2 . 18628 1 4 . 1 1 1 1 MET HG3 H 1 2.479 0.009 . 2 . . 1172 . . 1 MET HG3 . 18628 1 5 . 1 1 1 1 MET HE1 H 1 8.381 0.006 . 1 . . 512 . . 1 MET HE1 . 18628 1 6 . 1 1 1 1 MET HE2 H 1 8.381 0.006 . 1 . . 512 . . 1 MET HE2 . 18628 1 7 . 1 1 1 1 MET HE3 H 1 8.381 0.006 . 1 . . 512 . . 1 MET HE3 . 18628 1 8 . 1 1 1 1 MET C C 13 175.360 0.074 . 1 . . 1345 . . 1 MET C . 18628 1 9 . 1 1 1 1 MET CA C 13 55.597 0.064 . 1 . . 608 . . 1 MET CA . 18628 1 10 . 1 1 1 1 MET CB C 13 33.603 0.022 . 1 . . 609 . . 1 MET CB . 18628 1 11 . 1 1 1 1 MET CG C 13 32.169 0.031 . 1 . . 610 . . 1 MET CG . 18628 1 12 . 1 1 1 1 MET N N 15 122.034 0.025 . 1 . . 513 . . 1 MET N . 18628 1 13 . 1 1 2 2 ALA H H 1 8.531 0.007 . 1 . . 604 . . 2 ALA H . 18628 1 14 . 1 1 2 2 ALA HA H 1 4.463 0.003 . 1 . . 616 . . 2 ALA HA . 18628 1 15 . 1 1 2 2 ALA HB1 H 1 1.465 0.017 . 1 . . 615 . . 2 ALA HB1 . 18628 1 16 . 1 1 2 2 ALA HB2 H 1 1.465 0.017 . 1 . . 615 . . 2 ALA HB2 . 18628 1 17 . 1 1 2 2 ALA HB3 H 1 1.465 0.017 . 1 . . 615 . . 2 ALA HB3 . 18628 1 18 . 1 1 2 2 ALA C C 13 175.717 0.074 . 1 . . 1346 . . 2 ALA C . 18628 1 19 . 1 1 2 2 ALA CA C 13 52.175 0.048 . 1 . . 606 . . 2 ALA CA . 18628 1 20 . 1 1 2 2 ALA CB C 13 20.543 0.065 . 1 . . 607 . . 2 ALA CB . 18628 1 21 . 1 1 2 2 ALA N N 15 126.525 0.046 . 1 . . 605 . . 2 ALA N . 18628 1 22 . 1 1 3 3 LYS H H 1 8.701 0.018 . 1 . . 387 . . 3 LYS H . 18628 1 23 . 1 1 3 3 LYS HA H 1 4.918 0.016 . 1 . . 1179 . . 3 LYS HA . 18628 1 24 . 1 1 3 3 LYS HB2 H 1 1.520 0.001 . 2 . . 1176 . . 3 LYS HB2 . 18628 1 25 . 1 1 3 3 LYS HB3 H 1 1.591 0.0 . 2 . . 1175 . . 3 LYS HB3 . 18628 1 26 . 1 1 3 3 LYS HG2 H 1 1.286 0.01 . 1 . . 1178 . . 3 LYS HG2 . 18628 1 27 . 1 1 3 3 LYS HG3 H 1 1.286 0.01 . 1 . . 1177 . . 3 LYS HG3 . 18628 1 28 . 1 1 3 3 LYS C C 13 174.428 0.074 . 1 . . 1347 . . 3 LYS C . 18628 1 29 . 1 1 3 3 LYS CA C 13 54.970 0.029 . 1 . . 390 . . 3 LYS CA . 18628 1 30 . 1 1 3 3 LYS CB C 13 34.139 0.101 . 1 . . 389 . . 3 LYS CB . 18628 1 31 . 1 1 3 3 LYS CG C 13 24.441 0.009 . 1 . . 614 . . 3 LYS CG . 18628 1 32 . 1 1 3 3 LYS CD C 13 28.118 0.074 . 1 . . 1180 . . 3 LYS CD . 18628 1 33 . 1 1 3 3 LYS N N 15 122.503 0.031 . 1 . . 388 . . 3 LYS N . 18628 1 34 . 1 1 4 4 LYS H H 1 8.731 0.015 . 1 . . 612 . . 4 LYS H . 18628 1 35 . 1 1 4 4 LYS HA H 1 4.900 0.018 . 1 . . 1049 . . 4 LYS HA . 18628 1 36 . 1 1 4 4 LYS HB2 H 1 1.195 0.009 . 2 . . 1051 . . 4 LYS HB2 . 18628 1 37 . 1 1 4 4 LYS HB3 H 1 1.831 0.01 . 2 . . 1050 . . 4 LYS HB3 . 18628 1 38 . 1 1 4 4 LYS HG2 H 1 1.280 0.010 . 2 . . 1271 . . 4 LYS HG2 . 18628 1 39 . 1 1 4 4 LYS HG3 H 1 1.193 0.010 . 2 . . 1270 . . 4 LYS HG3 . 18628 1 40 . 1 1 4 4 LYS HD2 H 1 1.626 0.011 . 1 . . 1055 . . 4 LYS HD2 . 18628 1 41 . 1 1 4 4 LYS HD3 H 1 1.626 0.011 . 1 . . 1054 . . 4 LYS HD3 . 18628 1 42 . 1 1 4 4 LYS HE2 H 1 2.936 0.010 . 2 . . 1053 . . 4 LYS HE2 . 18628 1 43 . 1 1 4 4 LYS HE3 H 1 2.817 0.0 . 2 . . 1052 . . 4 LYS HE3 . 18628 1 44 . 1 1 4 4 LYS C C 13 173.129 0.074 . 1 . . 1348 . . 4 LYS C . 18628 1 45 . 1 1 4 4 LYS CA C 13 54.247 0.05 . 1 . . 229 . . 4 LYS CA . 18628 1 46 . 1 1 4 4 LYS CB C 13 37.738 0.061 . 1 . . 230 . . 4 LYS CB . 18628 1 47 . 1 1 4 4 LYS CG C 13 25.296 0.16 . 1 . . 233 . . 4 LYS CG . 18628 1 48 . 1 1 4 4 LYS CD C 13 29.361 0.085 . 1 . . 232 . . 4 LYS CD . 18628 1 49 . 1 1 4 4 LYS CE C 13 42.433 0.074 . 1 . . 231 . . 4 LYS CE . 18628 1 50 . 1 1 4 4 LYS N N 15 125.102 0.078 . 1 . . 613 . . 4 LYS N . 18628 1 51 . 1 1 5 5 GLY H H 1 7.470 0.011 . 1 . . 226 . . 5 GLY H . 18628 1 52 . 1 1 5 5 GLY HA2 H 1 3.613 0.006 . 2 . . 1131 . . 5 GLY HA2 . 18628 1 53 . 1 1 5 5 GLY HA3 H 1 3.781 0.013 . 2 . . 1130 . . 5 GLY HA3 . 18628 1 54 . 1 1 5 5 GLY C C 13 171.880 0.074 . 1 . . 1349 . . 5 GLY C . 18628 1 55 . 1 1 5 5 GLY CA C 13 46.787 0.058 . 1 . . 228 . . 5 GLY CA . 18628 1 56 . 1 1 5 5 GLY N N 15 103.789 0.033 . 1 . . 227 . . 5 GLY N . 18628 1 57 . 1 1 6 6 TYR H H 1 8.218 0.013 . 1 . . 239 . . 6 TYR H . 18628 1 58 . 1 1 6 6 TYR HA H 1 5.433 0.018 . 1 . . 617 . . 6 TYR HA . 18628 1 59 . 1 1 6 6 TYR HB2 H 1 2.817 0.015 . 2 . . 1044 . . 6 TYR HB2 . 18628 1 60 . 1 1 6 6 TYR HB3 H 1 2.933 0.005 . 2 . . 1043 . . 6 TYR HB3 . 18628 1 61 . 1 1 6 6 TYR HD1 H 1 6.872 0.009 . 3 . . 1045 . . 6 TYR HD1 . 18628 1 62 . 1 1 6 6 TYR HD2 H 1 6.872 0.009 . 3 . . 1045 . . 6 TYR HD2 . 18628 1 63 . 1 1 6 6 TYR HE1 H 1 6.704 0.002 . 3 . . 1048 . . 6 TYR HE1 . 18628 1 64 . 1 1 6 6 TYR HE2 H 1 6.704 0.002 . 3 . . 1048 . . 6 TYR HE2 . 18628 1 65 . 1 1 6 6 TYR C C 13 173.446 0.074 . 1 . . 1350 . . 6 TYR C . 18628 1 66 . 1 1 6 6 TYR CA C 13 56.266 0.05 . 1 . . 202 . . 6 TYR CA . 18628 1 67 . 1 1 6 6 TYR CB C 13 41.170 0.099 . 1 . . 203 . . 6 TYR CB . 18628 1 68 . 1 1 6 6 TYR CD1 C 13 131.705 0.036 . 3 . . 1046 . . 6 TYR CD1 . 18628 1 69 . 1 1 6 6 TYR CD2 C 13 131.705 0.036 . 3 . . 1046 . . 6 TYR CD2 . 18628 1 70 . 1 1 6 6 TYR CE1 C 13 115.303 0.074 . 3 . . 1047 . . 6 TYR CE1 . 18628 1 71 . 1 1 6 6 TYR CE2 C 13 115.303 0.074 . 3 . . 1047 . . 6 TYR CE2 . 18628 1 72 . 1 1 6 6 TYR N N 15 114.401 0.037 . 1 . . 240 . . 6 TYR N . 18628 1 73 . 1 1 7 7 ILE H H 1 9.502 0.015 . 1 . . 201 . . 7 ILE H . 18628 1 74 . 1 1 7 7 ILE HA H 1 4.881 0.015 . 1 . . 619 . . 7 ILE HA . 18628 1 75 . 1 1 7 7 ILE HB H 1 1.982 0.011 . 1 . . 1039 . . 7 ILE HB . 18628 1 76 . 1 1 7 7 ILE HG12 H 1 2.015 0.001 . 2 . . 1042 . . 7 ILE HG12 . 18628 1 77 . 1 1 7 7 ILE HG13 H 1 1.439 0.013 . 2 . . 1040 . . 7 ILE HG13 . 18628 1 78 . 1 1 7 7 ILE HG21 H 1 1.025 0.027 . 1 . . 1249 . . 7 ILE HG21 . 18628 1 79 . 1 1 7 7 ILE HG22 H 1 1.025 0.027 . 1 . . 1249 . . 7 ILE HG22 . 18628 1 80 . 1 1 7 7 ILE HG23 H 1 1.025 0.027 . 1 . . 1249 . . 7 ILE HG23 . 18628 1 81 . 1 1 7 7 ILE HD11 H 1 1.038 0.012 . 1 . . 1041 . . 7 ILE HD11 . 18628 1 82 . 1 1 7 7 ILE HD12 H 1 1.038 0.012 . 1 . . 1041 . . 7 ILE HD12 . 18628 1 83 . 1 1 7 7 ILE HD13 H 1 1.038 0.012 . 1 . . 1041 . . 7 ILE HD13 . 18628 1 84 . 1 1 7 7 ILE C C 13 174.659 0.074 . 1 . . 1351 . . 7 ILE C . 18628 1 85 . 1 1 7 7 ILE CA C 13 61.065 0.041 . 1 . . 199 . . 7 ILE CA . 18628 1 86 . 1 1 7 7 ILE CB C 13 42.718 0.145 . 1 . . 198 . . 7 ILE CB . 18628 1 87 . 1 1 7 7 ILE CG1 C 13 28.476 0.11 . 1 . . 243 . . 7 ILE CG1 . 18628 1 88 . 1 1 7 7 ILE CG2 C 13 18.779 0.157 . 1 . . 242 . . 7 ILE CG2 . 18628 1 89 . 1 1 7 7 ILE CD1 C 13 14.204 0.092 . 1 . . 241 . . 7 ILE CD1 . 18628 1 90 . 1 1 7 7 ILE N N 15 118.452 0.05 . 1 . . 200 . . 7 ILE N . 18628 1 91 . 1 1 8 8 LEU H H 1 9.732 0.013 . 1 . . 196 . . 8 LEU H . 18628 1 92 . 1 1 8 8 LEU HA H 1 5.219 0.008 . 1 . . 620 . . 8 LEU HA . 18628 1 93 . 1 1 8 8 LEU HB2 H 1 1.475 0.011 . 2 . . 641 . . 8 LEU HB2 . 18628 1 94 . 1 1 8 8 LEU HB3 H 1 2.078 0.008 . 2 . . 640 . . 8 LEU HB3 . 18628 1 95 . 1 1 8 8 LEU HG H 1 1.587 0.006 . 1 . . 642 . . 8 LEU HG . 18628 1 96 . 1 1 8 8 LEU HD11 H 1 0.854 0.013 . 2 . . 646 . . 8 LEU HD11 . 18628 1 97 . 1 1 8 8 LEU HD12 H 1 0.854 0.013 . 2 . . 646 . . 8 LEU HD12 . 18628 1 98 . 1 1 8 8 LEU HD13 H 1 0.854 0.013 . 2 . . 646 . . 8 LEU HD13 . 18628 1 99 . 1 1 8 8 LEU HD21 H 1 0.845 0.01 . 2 . . 645 . . 8 LEU HD21 . 18628 1 100 . 1 1 8 8 LEU HD22 H 1 0.845 0.01 . 2 . . 645 . . 8 LEU HD22 . 18628 1 101 . 1 1 8 8 LEU HD23 H 1 0.845 0.01 . 2 . . 645 . . 8 LEU HD23 . 18628 1 102 . 1 1 8 8 LEU C C 13 176.534 0.074 . 1 . . 1352 . . 8 LEU C . 18628 1 103 . 1 1 8 8 LEU CA C 13 53.062 0.076 . 1 . . 162 . . 8 LEU CA . 18628 1 104 . 1 1 8 8 LEU CB C 13 44.643 0.043 . 1 . . 161 . . 8 LEU CB . 18628 1 105 . 1 1 8 8 LEU CG C 13 27.191 0.064 . 1 . . 647 . . 8 LEU CG . 18628 1 106 . 1 1 8 8 LEU CD1 C 13 25.250 0.012 . 2 . . 644 . . 8 LEU CD1 . 18628 1 107 . 1 1 8 8 LEU CD2 C 13 23.816 0.109 . 2 . . 643 . . 8 LEU CD2 . 18628 1 108 . 1 1 8 8 LEU N N 15 129.221 0.016 . 1 . . 197 . . 8 LEU N . 18628 1 109 . 1 1 9 9 MET H H 1 9.272 0.014 . 1 . . 159 . . 9 MET H . 18628 1 110 . 1 1 9 9 MET HA H 1 5.365 0.016 . 1 . . 621 . . 9 MET HA . 18628 1 111 . 1 1 9 9 MET HB2 H 1 2.159 0.01 . 2 . . 1037 . . 9 MET HB2 . 18628 1 112 . 1 1 9 9 MET HB3 H 1 2.527 0.012 . 2 . . 1036 . . 9 MET HB3 . 18628 1 113 . 1 1 9 9 MET HG2 H 1 2.337 0.009 . 2 . . 1038 . . 9 MET HG2 . 18628 1 114 . 1 1 9 9 MET HG3 H 1 2.583 0.016 . 2 . . 1035 . . 9 MET HG3 . 18628 1 115 . 1 1 9 9 MET C C 13 179.325 0.074 . 1 . . 1353 . . 9 MET C . 18628 1 116 . 1 1 9 9 MET CA C 13 53.032 0.071 . 1 . . 158 . . 9 MET CA . 18628 1 117 . 1 1 9 9 MET CB C 13 29.852 0.102 . 1 . . 157 . . 9 MET CB . 18628 1 118 . 1 1 9 9 MET CG C 13 31.738 0.141 . 1 . . 1034 . . 9 MET CG . 18628 1 119 . 1 1 9 9 MET N N 15 124.474 0.058 . 1 . . 160 . . 9 MET N . 18628 1 120 . 1 1 10 10 GLU H H 1 9.051 0.013 . 1 . . 155 . . 10 GLU H . 18628 1 121 . 1 1 10 10 GLU HA H 1 3.974 0.008 . 1 . . 1031 . . 10 GLU HA . 18628 1 122 . 1 1 10 10 GLU HB2 H 1 2.067 0.001 . 2 . . 1277 . . 10 GLU HB2 . 18628 1 123 . 1 1 10 10 GLU HB3 H 1 2.108 0.001 . 2 . . 1276 . . 10 GLU HB3 . 18628 1 124 . 1 1 10 10 GLU HG2 H 1 2.249 0.005 . 2 . . 1033 . . 10 GLU HG2 . 18628 1 125 . 1 1 10 10 GLU HG3 H 1 2.319 0.006 . 2 . . 1032 . . 10 GLU HG3 . 18628 1 126 . 1 1 10 10 GLU C C 13 177.138 0.074 . 1 . . 1354 . . 10 GLU C . 18628 1 127 . 1 1 10 10 GLU CA C 13 59.823 0.06 . 1 . . 153 . . 10 GLU CA . 18628 1 128 . 1 1 10 10 GLU CB C 13 29.387 0.118 . 1 . . 154 . . 10 GLU CB . 18628 1 129 . 1 1 10 10 GLU CG C 13 36.307 0.056 . 1 . . 1030 . . 10 GLU CG . 18628 1 130 . 1 1 10 10 GLU N N 15 123.986 0.03 . 1 . . 156 . . 10 GLU N . 18628 1 131 . 1 1 11 11 ASN H H 1 8.501 0.009 . 1 . . 151 . . 11 ASN H . 18628 1 132 . 1 1 11 11 ASN HA H 1 4.544 0.011 . 1 . . 622 . . 11 ASN HA . 18628 1 133 . 1 1 11 11 ASN HB2 H 1 3.207 0.006 . 2 . . 1029 . . 11 ASN HB2 . 18628 1 134 . 1 1 11 11 ASN HB3 H 1 2.894 0.007 . 2 . . 1028 . . 11 ASN HB3 . 18628 1 135 . 1 1 11 11 ASN HD21 H 1 7.485 0.01 . 1 . . 1134 . . 11 ASN HD21 . 18628 1 136 . 1 1 11 11 ASN HD22 H 1 6.731 0.011 . 1 . . 1133 . . 11 ASN HD22 . 18628 1 137 . 1 1 11 11 ASN C C 13 176.199 0.074 . 1 . . 1355 . . 11 ASN C . 18628 1 138 . 1 1 11 11 ASN CA C 13 53.235 0.109 . 1 . . 150 . . 11 ASN CA . 18628 1 139 . 1 1 11 11 ASN CB C 13 37.227 0.069 . 1 . . 149 . . 11 ASN CB . 18628 1 140 . 1 1 11 11 ASN N N 15 114.392 0.027 . 1 . . 152 . . 11 ASN N . 18628 1 141 . 1 1 11 11 ASN ND2 N 15 111.128 0.041 . 1 . . 1132 . . 11 ASN ND2 . 18628 1 142 . 1 1 12 12 GLY H H 1 8.021 0.011 . 1 . . 146 . . 12 GLY H . 18628 1 143 . 1 1 12 12 GLY HA2 H 1 3.600 0.012 . 2 . . 1127 . . 12 GLY HA2 . 18628 1 144 . 1 1 12 12 GLY HA3 H 1 4.417 0.009 . 2 . . 1126 . . 12 GLY HA3 . 18628 1 145 . 1 1 12 12 GLY C C 13 174.753 0.074 . 1 . . 1356 . . 12 GLY C . 18628 1 146 . 1 1 12 12 GLY CA C 13 44.784 0.044 . 1 . . 148 . . 12 GLY CA . 18628 1 147 . 1 1 12 12 GLY N N 15 108.737 0.041 . 1 . . 147 . . 12 GLY N . 18628 1 148 . 1 1 13 13 GLY H H 1 8.471 0.01 . 1 . . 334 . . 13 GLY H . 18628 1 149 . 1 1 13 13 GLY HA2 H 1 3.946 0.007 . 2 . . 1129 . . 13 GLY HA2 . 18628 1 150 . 1 1 13 13 GLY HA3 H 1 3.534 0.017 . 2 . . 1128 . . 13 GLY HA3 . 18628 1 151 . 1 1 13 13 GLY C C 13 171.020 0.074 . 1 . . 1357 . . 13 GLY C . 18628 1 152 . 1 1 13 13 GLY CA C 13 46.237 0.074 . 1 . . 335 . . 13 GLY CA . 18628 1 153 . 1 1 13 13 GLY N N 15 109.622 0.016 . 1 . . 333 . . 13 GLY N . 18628 1 154 . 1 1 14 14 LYS H H 1 8.543 0.011 . 1 . . 506 . . 14 LYS H . 18628 1 155 . 1 1 14 14 LYS HA H 1 5.297 0.009 . 1 . . 623 . . 14 LYS HA . 18628 1 156 . 1 1 14 14 LYS HB2 H 1 1.526 0.014 . 2 . . 706 . . 14 LYS HB2 . 18628 1 157 . 1 1 14 14 LYS HB3 H 1 1.762 0.007 . 2 . . 705 . . 14 LYS HB3 . 18628 1 158 . 1 1 14 14 LYS HG2 H 1 1.092 0.007 . 2 . . 708 . . 14 LYS HG2 . 18628 1 159 . 1 1 14 14 LYS HG3 H 1 1.092 0.007 . 2 . . 707 . . 14 LYS HG3 . 18628 1 160 . 1 1 14 14 LYS HD2 H 1 1.417 0.005 . 2 . . 1279 . . 14 LYS HD2 . 18628 1 161 . 1 1 14 14 LYS HD3 H 1 1.349 0.007 . 2 . . 1278 . . 14 LYS HD3 . 18628 1 162 . 1 1 14 14 LYS HE2 H 1 2.335 0.004 . 2 . . 710 . . 14 LYS HE2 . 18628 1 163 . 1 1 14 14 LYS HE3 H 1 2.219 0.003 . 2 . . 709 . . 14 LYS HE3 . 18628 1 164 . 1 1 14 14 LYS C C 13 174.520 0.074 . 1 . . 1358 . . 14 LYS C . 18628 1 165 . 1 1 14 14 LYS CA C 13 55.237 0.097 . 1 . . 504 . . 14 LYS CA . 18628 1 166 . 1 1 14 14 LYS CB C 13 35.589 0.133 . 1 . . 505 . . 14 LYS CB . 18628 1 167 . 1 1 14 14 LYS CG C 13 25.990 0.072 . 1 . . 511 . . 14 LYS CG . 18628 1 168 . 1 1 14 14 LYS CD C 13 29.381 0.058 . 1 . . 510 . . 14 LYS CD . 18628 1 169 . 1 1 14 14 LYS CE C 13 41.521 0.056 . 1 . . 711 . . 14 LYS CE . 18628 1 170 . 1 1 14 14 LYS N N 15 126.003 0.015 . 1 . . 507 . . 14 LYS N . 18628 1 171 . 1 1 15 15 ILE H H 1 9.414 0.012 . 1 . . 502 . . 15 ILE H . 18628 1 172 . 1 1 15 15 ILE HA H 1 4.643 0.01 . 1 . . 712 . . 15 ILE HA . 18628 1 173 . 1 1 15 15 ILE HB H 1 1.991 0.013 . 1 . . 713 . . 15 ILE HB . 18628 1 174 . 1 1 15 15 ILE HG12 H 1 1.557 0.013 . 2 . . 716 . . 15 ILE HG12 . 18628 1 175 . 1 1 15 15 ILE HG13 H 1 1.554 0.013 . 2 . . 715 . . 15 ILE HG13 . 18628 1 176 . 1 1 15 15 ILE HG21 H 1 0.977 0.018 . 1 . . 714 . . 15 ILE HG21 . 18628 1 177 . 1 1 15 15 ILE HG22 H 1 0.977 0.018 . 1 . . 714 . . 15 ILE HG22 . 18628 1 178 . 1 1 15 15 ILE HG23 H 1 0.977 0.018 . 1 . . 714 . . 15 ILE HG23 . 18628 1 179 . 1 1 15 15 ILE HD11 H 1 0.658 0.013 . 1 . . 717 . . 15 ILE HD11 . 18628 1 180 . 1 1 15 15 ILE HD12 H 1 0.658 0.013 . 1 . . 717 . . 15 ILE HD12 . 18628 1 181 . 1 1 15 15 ILE HD13 H 1 0.658 0.013 . 1 . . 717 . . 15 ILE HD13 . 18628 1 182 . 1 1 15 15 ILE C C 13 176.061 0.074 . 1 . . 1359 . . 15 ILE C . 18628 1 183 . 1 1 15 15 ILE CA C 13 60.104 0.018 . 1 . . 501 . . 15 ILE CA . 18628 1 184 . 1 1 15 15 ILE CB C 13 41.093 0.104 . 1 . . 499 . . 15 ILE CB . 18628 1 185 . 1 1 15 15 ILE CG1 C 13 26.964 0.175 . 1 . . 509 . . 15 ILE CG1 . 18628 1 186 . 1 1 15 15 ILE CG2 C 13 19.072 0.106 . 1 . . 508 . . 15 ILE CG2 . 18628 1 187 . 1 1 15 15 ILE CD1 C 13 15.404 0.04 . 1 . . 718 . . 15 ILE CD1 . 18628 1 188 . 1 1 15 15 ILE N N 15 129.169 0.045 . 1 . . 503 . . 15 ILE N . 18628 1 189 . 1 1 16 16 GLU H H 1 8.615 0.013 . 1 . . 496 . . 16 GLU H . 18628 1 190 . 1 1 16 16 GLU HA H 1 4.973 0.006 . 1 . . 719 . . 16 GLU HA . 18628 1 191 . 1 1 16 16 GLU HB2 H 1 2.074 0.025 . 1 . . 721 . . 16 GLU HB2 . 18628 1 192 . 1 1 16 16 GLU HB3 H 1 2.074 0.025 . 1 . . 720 . . 16 GLU HB3 . 18628 1 193 . 1 1 16 16 GLU HG2 H 1 2.108 0.004 . 2 . . 1275 . . 16 GLU HG2 . 18628 1 194 . 1 1 16 16 GLU HG3 H 1 2.175 0.001 . 2 . . 1274 . . 16 GLU HG3 . 18628 1 195 . 1 1 16 16 GLU C C 13 176.070 0.074 . 1 . . 1360 . . 16 GLU C . 18628 1 196 . 1 1 16 16 GLU CA C 13 55.434 0.073 . 1 . . 500 . . 16 GLU CA . 18628 1 197 . 1 1 16 16 GLU CB C 13 32.266 0.071 . 1 . . 498 . . 16 GLU CB . 18628 1 198 . 1 1 16 16 GLU CG C 13 37.621 0.046 . 1 . . 603 . . 16 GLU CG . 18628 1 199 . 1 1 16 16 GLU N N 15 125.454 0.032 . 1 . . 497 . . 16 GLU N . 18628 1 200 . 1 1 17 17 PHE H H 1 7.935 0.017 . 1 . . 518 . . 17 PHE H . 18628 1 201 . 1 1 17 17 PHE HA H 1 5.541 0.019 . 1 . . 722 . . 17 PHE HA . 18628 1 202 . 1 1 17 17 PHE HB2 H 1 2.816 0.001 . 2 . . 723 . . 17 PHE HB2 . 18628 1 203 . 1 1 17 17 PHE HB3 H 1 2.633 0.006 . 2 . . 724 . . 17 PHE HB3 . 18628 1 204 . 1 1 17 17 PHE HD1 H 1 6.504 0.013 . 3 . . 1100 . . 17 PHE HD1 . 18628 1 205 . 1 1 17 17 PHE HD2 H 1 6.504 0.013 . 3 . . 1100 . . 17 PHE HD2 . 18628 1 206 . 1 1 17 17 PHE HE1 H 1 6.905 0.013 . 3 . . 1182 . . 17 PHE HE1 . 18628 1 207 . 1 1 17 17 PHE HE2 H 1 6.905 0.013 . 3 . . 1182 . . 17 PHE HE2 . 18628 1 208 . 1 1 17 17 PHE HZ H 1 6.819 0.027 . 1 . . 1184 . . 17 PHE HZ . 18628 1 209 . 1 1 17 17 PHE C C 13 173.387 0.074 . 1 . . 1361 . . 17 PHE C . 18628 1 210 . 1 1 17 17 PHE CA C 13 55.878 0.102 . 1 . . 517 . . 17 PHE CA . 18628 1 211 . 1 1 17 17 PHE CB C 13 43.980 0.091 . 1 . . 516 . . 17 PHE CB . 18628 1 212 . 1 1 17 17 PHE CD1 C 13 130.488 0.014 . 3 . . 1099 . . 17 PHE CD1 . 18628 1 213 . 1 1 17 17 PHE CD2 C 13 130.488 0.014 . 3 . . 1099 . . 17 PHE CD2 . 18628 1 214 . 1 1 17 17 PHE CE1 C 13 127.435 0.014 . 3 . . 1181 . . 17 PHE CE1 . 18628 1 215 . 1 1 17 17 PHE CE2 C 13 127.435 0.014 . 3 . . 1181 . . 17 PHE CE2 . 18628 1 216 . 1 1 17 17 PHE CZ C 13 129.492 0.074 . 1 . . 1183 . . 17 PHE CZ . 18628 1 217 . 1 1 17 17 PHE N N 15 116.476 0.014 . 1 . . 519 . . 17 PHE N . 18628 1 218 . 1 1 18 18 GLU H H 1 8.830 0.018 . 1 . . 514 . . 18 GLU H . 18628 1 219 . 1 1 18 18 GLU HA H 1 4.946 0.014 . 1 . . 725 . . 18 GLU HA . 18628 1 220 . 1 1 18 18 GLU HB2 H 1 1.852 0.017 . 2 . . 727 . . 18 GLU HB2 . 18628 1 221 . 1 1 18 18 GLU HB3 H 1 1.914 0.003 . 2 . . 726 . . 18 GLU HB3 . 18628 1 222 . 1 1 18 18 GLU HG2 H 1 2.151 0.009 . 2 . . 729 . . 18 GLU HG2 . 18628 1 223 . 1 1 18 18 GLU HG3 H 1 2.293 0.01 . 2 . . 728 . . 18 GLU HG3 . 18628 1 224 . 1 1 18 18 GLU C C 13 174.032 0.074 . 1 . . 1362 . . 18 GLU C . 18628 1 225 . 1 1 18 18 GLU CA C 13 54.081 0.07 . 1 . . 478 . . 18 GLU CA . 18628 1 226 . 1 1 18 18 GLU CB C 13 32.901 0.106 . 1 . . 477 . . 18 GLU CB . 18628 1 227 . 1 1 18 18 GLU CG C 13 35.687 0.057 . 1 . . 602 . . 18 GLU CG . 18628 1 228 . 1 1 18 18 GLU N N 15 119.341 0.057 . 1 . . 515 . . 18 GLU N . 18628 1 229 . 1 1 19 19 LEU H H 1 8.378 0.008 . 1 . . 475 . . 19 LEU H . 18628 1 230 . 1 1 19 19 LEU HA H 1 4.735 0.024 . 1 . . 730 . . 19 LEU HA . 18628 1 231 . 1 1 19 19 LEU HB2 H 1 1.551 0.016 . 2 . . 735 . . 19 LEU HB2 . 18628 1 232 . 1 1 19 19 LEU HB3 H 1 1.460 0.012 . 2 . . 734 . . 19 LEU HB3 . 18628 1 233 . 1 1 19 19 LEU HG H 1 0.970 0.007 . 1 . . 733 . . 19 LEU HG . 18628 1 234 . 1 1 19 19 LEU HD11 H 1 0.509 0.011 . 2 . . 731 . . 19 LEU HD11 . 18628 1 235 . 1 1 19 19 LEU HD12 H 1 0.509 0.011 . 2 . . 731 . . 19 LEU HD12 . 18628 1 236 . 1 1 19 19 LEU HD13 H 1 0.509 0.011 . 2 . . 731 . . 19 LEU HD13 . 18628 1 237 . 1 1 19 19 LEU HD21 H 1 0.509 0.011 . 2 . . 732 . . 19 LEU HD21 . 18628 1 238 . 1 1 19 19 LEU HD22 H 1 0.509 0.011 . 2 . . 732 . . 19 LEU HD22 . 18628 1 239 . 1 1 19 19 LEU HD23 H 1 0.509 0.011 . 2 . . 732 . . 19 LEU HD23 . 18628 1 240 . 1 1 19 19 LEU C C 13 176.025 0.074 . 1 . . 1363 . . 19 LEU C . 18628 1 241 . 1 1 19 19 LEU CA C 13 52.841 0.081 . 1 . . 474 . . 19 LEU CA . 18628 1 242 . 1 1 19 19 LEU CB C 13 44.601 0.06 . 1 . . 472 . . 19 LEU CB . 18628 1 243 . 1 1 19 19 LEU CG C 13 28.000 0.051 . 1 . . 600 . . 19 LEU CG . 18628 1 244 . 1 1 19 19 LEU CD1 C 13 24.068 0.102 . 2 . . 601 . . 19 LEU CD1 . 18628 1 245 . 1 1 19 19 LEU CD2 C 13 23.979 0.087 . 2 . . 599 . . 19 LEU CD2 . 18628 1 246 . 1 1 19 19 LEU N N 15 120.511 0.048 . 1 . . 476 . . 19 LEU N . 18628 1 247 . 1 1 20 20 PHE H H 1 7.527 0.014 . 1 . . 469 . . 20 PHE H . 18628 1 248 . 1 1 20 20 PHE HA H 1 5.861 0.007 . 1 . . 736 . . 20 PHE HA . 18628 1 249 . 1 1 20 20 PHE HB2 H 1 2.489 0.01 . 2 . . 738 . . 20 PHE HB2 . 18628 1 250 . 1 1 20 20 PHE HB3 H 1 3.497 0.012 . 2 . . 737 . . 20 PHE HB3 . 18628 1 251 . 1 1 20 20 PHE HD1 H 1 6.555 0.029 . 3 . . 1104 . . 20 PHE HD1 . 18628 1 252 . 1 1 20 20 PHE HD2 H 1 6.555 0.029 . 3 . . 1104 . . 20 PHE HD2 . 18628 1 253 . 1 1 20 20 PHE CA C 13 53.197 0.125 . 1 . . 473 . . 20 PHE CA . 18628 1 254 . 1 1 20 20 PHE CB C 13 38.701 0.075 . 1 . . 471 . . 20 PHE CB . 18628 1 255 . 1 1 20 20 PHE CD1 C 13 127.946 0.086 . 3 . . 1103 . . 20 PHE CD1 . 18628 1 256 . 1 1 20 20 PHE CD2 C 13 127.946 0.086 . 3 . . 1103 . . 20 PHE CD2 . 18628 1 257 . 1 1 20 20 PHE N N 15 116.085 0.022 . 1 . . 470 . . 20 PHE N . 18628 1 258 . 1 1 21 21 PRO HA H 1 4.335 0.009 . 1 . . 1186 . . 21 PRO HA . 18628 1 259 . 1 1 21 21 PRO HB2 H 1 2.127 0.003 . 2 . . 1187 . . 21 PRO HB2 . 18628 1 260 . 1 1 21 21 PRO HB3 H 1 2.031 0.001 . 2 . . 1185 . . 21 PRO HB3 . 18628 1 261 . 1 1 21 21 PRO HG2 H 1 2.019 0.004 . 2 . . 1273 . . 21 PRO HG2 . 18628 1 262 . 1 1 21 21 PRO HG3 H 1 1.924 0.002 . 2 . . 1280 . . 21 PRO HG3 . 18628 1 263 . 1 1 21 21 PRO HD2 H 1 4.294 0.017 . 2 . . 1155 . . 21 PRO HD2 . 18628 1 264 . 1 1 21 21 PRO HD3 H 1 3.161 0.015 . 2 . . 1154 . . 21 PRO HD3 . 18628 1 265 . 1 1 21 21 PRO C C 13 176.651 0.074 . 1 . . 1364 . . 21 PRO C . 18628 1 266 . 1 1 21 21 PRO CA C 13 64.880 0.003 . 1 . . 405 . . 21 PRO CA . 18628 1 267 . 1 1 21 21 PRO CB C 13 32.173 0.015 . 1 . . 404 . . 21 PRO CB . 18628 1 268 . 1 1 21 21 PRO CG C 13 27.383 0.039 . 1 . . 406 . . 21 PRO CG . 18628 1 269 . 1 1 21 21 PRO CD C 13 51.431 0.039 . 1 . . 1153 . . 21 PRO CD . 18628 1 270 . 1 1 22 22 ASN H H 1 8.914 0.009 . 1 . . 402 . . 22 ASN H . 18628 1 271 . 1 1 22 22 ASN HA H 1 4.583 0.007 . 1 . . 739 . . 22 ASN HA . 18628 1 272 . 1 1 22 22 ASN HB2 H 1 2.923 0.003 . 2 . . 741 . . 22 ASN HB2 . 18628 1 273 . 1 1 22 22 ASN HB3 H 1 2.741 0.005 . 2 . . 740 . . 22 ASN HB3 . 18628 1 274 . 1 1 22 22 ASN C C 13 176.336 0.074 . 1 . . 1365 . . 22 ASN C . 18628 1 275 . 1 1 22 22 ASN CA C 13 55.678 0.149 . 1 . . 180 . . 22 ASN CA . 18628 1 276 . 1 1 22 22 ASN CB C 13 37.870 0.17 . 1 . . 181 . . 22 ASN CB . 18628 1 277 . 1 1 22 22 ASN N N 15 114.068 0.032 . 1 . . 403 . . 22 ASN N . 18628 1 278 . 1 1 23 23 GLU H H 1 6.855 0.006 . 1 . . 178 . . 23 GLU H . 18628 1 279 . 1 1 23 23 GLU HA H 1 4.692 0.013 . 1 . . 743 . . 23 GLU HA . 18628 1 280 . 1 1 23 23 GLU HB2 H 1 2.220 0.010 . 2 . . 745 . . 23 GLU HB2 . 18628 1 281 . 1 1 23 23 GLU HB3 H 1 2.140 0.018 . 2 . . 744 . . 23 GLU HB3 . 18628 1 282 . 1 1 23 23 GLU HG2 H 1 2.210 0.005 . 1 . . 748 . . 23 GLU HG2 . 18628 1 283 . 1 1 23 23 GLU HG3 H 1 2.210 0.005 . 1 . . 747 . . 23 GLU HG3 . 18628 1 284 . 1 1 23 23 GLU C C 13 174.122 0.074 . 1 . . 1366 . . 23 GLU C . 18628 1 285 . 1 1 23 23 GLU CA C 13 58.674 0.039 . 1 . . 177 . . 23 GLU CA . 18628 1 286 . 1 1 23 23 GLU CB C 13 32.165 0.036 . 1 . . 176 . . 23 GLU CB . 18628 1 287 . 1 1 23 23 GLU CG C 13 38.548 0.095 . 1 . . 407 . . 23 GLU CG . 18628 1 288 . 1 1 23 23 GLU N N 15 114.465 0.068 . 1 . . 179 . . 23 GLU N . 18628 1 289 . 1 1 24 24 ALA H H 1 7.703 0.006 . 1 . . 172 . . 24 ALA H . 18628 1 290 . 1 1 24 24 ALA HA H 1 4.766 0.013 . 1 . . 742 . . 24 ALA HA . 18628 1 291 . 1 1 24 24 ALA HB1 H 1 1.348 0.008 . 1 . . 746 . . 24 ALA HB1 . 18628 1 292 . 1 1 24 24 ALA HB2 H 1 1.348 0.008 . 1 . . 746 . . 24 ALA HB2 . 18628 1 293 . 1 1 24 24 ALA HB3 H 1 1.348 0.008 . 1 . . 746 . . 24 ALA HB3 . 18628 1 294 . 1 1 24 24 ALA CA C 13 50.497 0.096 . 1 . . 174 . . 24 ALA CA . 18628 1 295 . 1 1 24 24 ALA CB C 13 18.131 0.034 . 1 . . 175 . . 24 ALA CB . 18628 1 296 . 1 1 24 24 ALA N N 15 120.618 0.046 . 1 . . 173 . . 24 ALA N . 18628 1 297 . 1 1 25 25 PRO HA H 1 4.433 0.006 . 1 . . 1191 . . 25 PRO HA . 18628 1 298 . 1 1 25 25 PRO HB2 H 1 2.526 0.0 . 2 . . 1284 . . 25 PRO HB2 . 18628 1 299 . 1 1 25 25 PRO HB3 H 1 2.533 0.007 . 2 . . 1194 . . 25 PRO HB3 . 18628 1 300 . 1 1 25 25 PRO HG2 H 1 2.206 0.006 . 2 . . 1193 . . 25 PRO HG2 . 18628 1 301 . 1 1 25 25 PRO HG3 H 1 2.082 0.004 . 2 . . 1192 . . 25 PRO HG3 . 18628 1 302 . 1 1 25 25 PRO HD2 H 1 3.547 0.01 . 2 . . 1190 . . 25 PRO HD2 . 18628 1 303 . 1 1 25 25 PRO HD3 H 1 3.076 0.009 . 2 . . 1189 . . 25 PRO HD3 . 18628 1 304 . 1 1 25 25 PRO C C 13 181.708 0.074 . 1 . . 1367 . . 25 PRO C . 18628 1 305 . 1 1 25 25 PRO CA C 13 66.423 0.057 . 1 . . 371 . . 25 PRO CA . 18628 1 306 . 1 1 25 25 PRO CB C 13 31.590 0.06 . 1 . . 372 . . 25 PRO CB . 18628 1 307 . 1 1 25 25 PRO CG C 13 27.603 0.139 . 1 . . 382 . . 25 PRO CG . 18628 1 308 . 1 1 25 25 PRO CD C 13 50.498 0.092 . 1 . . 1188 . . 25 PRO CD . 18628 1 309 . 1 1 26 26 VAL H H 1 10.221 0.008 . 1 . . 368 . . 26 VAL H . 18628 1 310 . 1 1 26 26 VAL HA H 1 3.636 0.011 . 1 . . 749 . . 26 VAL HA . 18628 1 311 . 1 1 26 26 VAL HB H 1 1.945 0.018 . 1 . . 750 . . 26 VAL HB . 18628 1 312 . 1 1 26 26 VAL HG11 H 1 0.992 0.009 . 2 . . 751 . . 26 VAL HG11 . 18628 1 313 . 1 1 26 26 VAL HG12 H 1 0.992 0.009 . 2 . . 751 . . 26 VAL HG12 . 18628 1 314 . 1 1 26 26 VAL HG13 H 1 0.992 0.009 . 2 . . 751 . . 26 VAL HG13 . 18628 1 315 . 1 1 26 26 VAL HG21 H 1 0.893 0.006 . 2 . . 752 . . 26 VAL HG21 . 18628 1 316 . 1 1 26 26 VAL HG22 H 1 0.893 0.006 . 2 . . 752 . . 26 VAL HG22 . 18628 1 317 . 1 1 26 26 VAL HG23 H 1 0.893 0.006 . 2 . . 752 . . 26 VAL HG23 . 18628 1 318 . 1 1 26 26 VAL C C 13 179.558 0.074 . 1 . . 1368 . . 26 VAL C . 18628 1 319 . 1 1 26 26 VAL CA C 13 66.785 0.193 . 1 . . 370 . . 26 VAL CA . 18628 1 320 . 1 1 26 26 VAL CB C 13 31.502 0.069 . 1 . . 373 . . 26 VAL CB . 18628 1 321 . 1 1 26 26 VAL CG1 C 13 22.865 0.039 . 2 . . 384 . . 26 VAL CG1 . 18628 1 322 . 1 1 26 26 VAL CG2 C 13 21.242 0.178 . 2 . . 383 . . 26 VAL CG2 . 18628 1 323 . 1 1 26 26 VAL N N 15 124.596 0.041 . 1 . . 369 . . 26 VAL N . 18628 1 324 . 1 1 27 27 THR H H 1 9.828 0.009 . 1 . . 381 . . 27 THR H . 18628 1 325 . 1 1 27 27 THR HA H 1 4.070 0.017 . 1 . . 753 . . 27 THR HA . 18628 1 326 . 1 1 27 27 THR HB H 1 3.525 0.008 . 1 . . 755 . . 27 THR HB . 18628 1 327 . 1 1 27 27 THR HG21 H 1 0.635 0.008 . 1 . . 756 . . 27 THR HG21 . 18628 1 328 . 1 1 27 27 THR HG22 H 1 0.635 0.008 . 1 . . 756 . . 27 THR HG22 . 18628 1 329 . 1 1 27 27 THR HG23 H 1 0.635 0.008 . 1 . . 756 . . 27 THR HG23 . 18628 1 330 . 1 1 27 27 THR C C 13 178.523 0.074 . 1 . . 1369 . . 27 THR C . 18628 1 331 . 1 1 27 27 THR CA C 13 67.908 0.067 . 1 . . 378 . . 27 THR CA . 18628 1 332 . 1 1 27 27 THR CB C 13 67.262 0.078 . 1 . . 754 . . 27 THR CB . 18628 1 333 . 1 1 27 27 THR CG2 C 13 23.317 0.072 . 1 . . 379 . . 27 THR CG2 . 18628 1 334 . 1 1 27 27 THR N N 15 122.269 0.025 . 1 . . 380 . . 27 THR N . 18628 1 335 . 1 1 28 28 VAL H H 1 9.117 0.01 . 1 . . 376 . . 28 VAL H . 18628 1 336 . 1 1 28 28 VAL HA H 1 3.432 0.014 . 1 . . 626 . . 28 VAL HA . 18628 1 337 . 1 1 28 28 VAL HB H 1 2.152 0.004 . 1 . . 627 . . 28 VAL HB . 18628 1 338 . 1 1 28 28 VAL HG11 H 1 1.233 0.012 . 2 . . 629 . . 28 VAL HG11 . 18628 1 339 . 1 1 28 28 VAL HG12 H 1 1.233 0.012 . 2 . . 629 . . 28 VAL HG12 . 18628 1 340 . 1 1 28 28 VAL HG13 H 1 1.233 0.012 . 2 . . 629 . . 28 VAL HG13 . 18628 1 341 . 1 1 28 28 VAL HG21 H 1 0.950 0.015 . 2 . . 628 . . 28 VAL HG21 . 18628 1 342 . 1 1 28 28 VAL HG22 H 1 0.950 0.015 . 2 . . 628 . . 28 VAL HG22 . 18628 1 343 . 1 1 28 28 VAL HG23 H 1 0.950 0.015 . 2 . . 628 . . 28 VAL HG23 . 18628 1 344 . 1 1 28 28 VAL C C 13 176.209 0.074 . 1 . . 1370 . . 28 VAL C . 18628 1 345 . 1 1 28 28 VAL CA C 13 67.977 0.027 . 1 . . 375 . . 28 VAL CA . 18628 1 346 . 1 1 28 28 VAL CB C 13 31.429 0.051 . 1 . . 374 . . 28 VAL CB . 18628 1 347 . 1 1 28 28 VAL CG1 C 13 26.392 0.102 . 2 . . 386 . . 28 VAL CG1 . 18628 1 348 . 1 1 28 28 VAL CG2 C 13 23.158 0.11 . 2 . . 385 . . 28 VAL CG2 . 18628 1 349 . 1 1 28 28 VAL N N 15 123.437 0.015 . 1 . . 377 . . 28 VAL N . 18628 1 350 . 1 1 29 29 ALA H H 1 7.999 0.012 . 1 . . 170 . . 29 ALA H . 18628 1 351 . 1 1 29 29 ALA HA H 1 4.233 0.005 . 1 . . 625 . . 29 ALA HA . 18628 1 352 . 1 1 29 29 ALA HB1 H 1 1.497 0.006 . 1 . . 624 . . 29 ALA HB1 . 18628 1 353 . 1 1 29 29 ALA HB2 H 1 1.497 0.006 . 1 . . 624 . . 29 ALA HB2 . 18628 1 354 . 1 1 29 29 ALA HB3 H 1 1.497 0.006 . 1 . . 624 . . 29 ALA HB3 . 18628 1 355 . 1 1 29 29 ALA C C 13 180.649 0.074 . 1 . . 1371 . . 29 ALA C . 18628 1 356 . 1 1 29 29 ALA CA C 13 55.299 0.079 . 1 . . 167 . . 29 ALA CA . 18628 1 357 . 1 1 29 29 ALA CB C 13 17.753 0.068 . 1 . . 169 . . 29 ALA CB . 18628 1 358 . 1 1 29 29 ALA N N 15 121.346 0.045 . 1 . . 171 . . 29 ALA N . 18628 1 359 . 1 1 30 30 ASN H H 1 8.144 0.01 . 1 . . 164 . . 30 ASN H . 18628 1 360 . 1 1 30 30 ASN HA H 1 4.291 0.024 . 1 . . 630 . . 30 ASN HA . 18628 1 361 . 1 1 30 30 ASN HB2 H 1 2.846 0.010 . 2 . . 1256 . . 30 ASN HB2 . 18628 1 362 . 1 1 30 30 ASN HB3 H 1 2.844 0.002 . 2 . . 1255 . . 30 ASN HB3 . 18628 1 363 . 1 1 30 30 ASN HD21 H 1 7.148 0.009 . 1 . . 1170 . . 30 ASN HD21 . 18628 1 364 . 1 1 30 30 ASN HD22 H 1 8.781 0.014 . 1 . . 1169 . . 30 ASN HD22 . 18628 1 365 . 1 1 30 30 ASN C C 13 174.393 0.074 . 1 . . 1372 . . 30 ASN C . 18628 1 366 . 1 1 30 30 ASN CA C 13 57.201 0.056 . 1 . . 166 . . 30 ASN CA . 18628 1 367 . 1 1 30 30 ASN CB C 13 40.007 0.002 . 1 . . 168 . . 30 ASN CB . 18628 1 368 . 1 1 30 30 ASN N N 15 116.643 0.073 . 1 . . 165 . . 30 ASN N . 18628 1 369 . 1 1 30 30 ASN ND2 N 15 119.888 0.064 . 1 . . 1168 . . 30 ASN ND2 . 18628 1 370 . 1 1 31 31 PHE H H 1 7.911 0.013 . 1 . . 439 . . 31 PHE H . 18628 1 371 . 1 1 31 31 PHE HA H 1 3.964 0.005 . 1 . . 758 . . 31 PHE HA . 18628 1 372 . 1 1 31 31 PHE HB2 H 1 2.629 0.021 . 2 . . 759 . . 31 PHE HB2 . 18628 1 373 . 1 1 31 31 PHE HB3 H 1 2.798 0.005 . 2 . . 757 . . 31 PHE HB3 . 18628 1 374 . 1 1 31 31 PHE HD1 H 1 6.789 0.008 . 3 . . 1106 . . 31 PHE HD1 . 18628 1 375 . 1 1 31 31 PHE HD2 H 1 6.789 0.008 . 3 . . 1106 . . 31 PHE HD2 . 18628 1 376 . 1 1 31 31 PHE HE1 H 1 6.079 0.013 . 3 . . 1196 . . 31 PHE HE1 . 18628 1 377 . 1 1 31 31 PHE HE2 H 1 6.079 0.013 . 3 . . 1196 . . 31 PHE HE2 . 18628 1 378 . 1 1 31 31 PHE HZ H 1 5.809 0.003 . 1 . . 1198 . . 31 PHE HZ . 18628 1 379 . 1 1 31 31 PHE C C 13 176.287 0.074 . 1 . . 1373 . . 31 PHE C . 18628 1 380 . 1 1 31 31 PHE CA C 13 62.318 0.088 . 1 . . 437 . . 31 PHE CA . 18628 1 381 . 1 1 31 31 PHE CB C 13 39.654 0.092 . 1 . . 438 . . 31 PHE CB . 18628 1 382 . 1 1 31 31 PHE CD1 C 13 129.463 0.089 . 3 . . 1105 . . 31 PHE CD1 . 18628 1 383 . 1 1 31 31 PHE CD2 C 13 129.463 0.089 . 3 . . 1105 . . 31 PHE CD2 . 18628 1 384 . 1 1 31 31 PHE CE1 C 13 128.234 0.043 . 3 . . 1195 . . 31 PHE CE1 . 18628 1 385 . 1 1 31 31 PHE CE2 C 13 128.234 0.043 . 3 . . 1195 . . 31 PHE CE2 . 18628 1 386 . 1 1 31 31 PHE CZ C 13 126.635 0.074 . 1 . . 1197 . . 31 PHE CZ . 18628 1 387 . 1 1 31 31 PHE N N 15 120.279 0.016 . 1 . . 440 . . 31 PHE N . 18628 1 388 . 1 1 32 32 GLU H H 1 8.794 0.014 . 1 . . 435 . . 32 GLU H . 18628 1 389 . 1 1 32 32 GLU HA H 1 3.542 0.01 . 1 . . 760 . . 32 GLU HA . 18628 1 390 . 1 1 32 32 GLU HB2 H 1 1.921 0.021 . 2 . . 762 . . 32 GLU HB2 . 18628 1 391 . 1 1 32 32 GLU HB3 H 1 2.125 0.016 . 2 . . 761 . . 32 GLU HB3 . 18628 1 392 . 1 1 32 32 GLU HG2 H 1 1.949 0.010 . 2 . . 764 . . 32 GLU HG2 . 18628 1 393 . 1 1 32 32 GLU HG3 H 1 2.127 0.004 . 2 . . 763 . . 32 GLU HG3 . 18628 1 394 . 1 1 32 32 GLU C C 13 176.445 0.074 . 1 . . 1374 . . 32 GLU C . 18628 1 395 . 1 1 32 32 GLU CA C 13 59.816 0.121 . 1 . . 434 . . 32 GLU CA . 18628 1 396 . 1 1 32 32 GLU CB C 13 30.600 0.065 . 1 . . 433 . . 32 GLU CB . 18628 1 397 . 1 1 32 32 GLU CG C 13 35.681 0.054 . 1 . . 441 . . 32 GLU CG . 18628 1 398 . 1 1 32 32 GLU N N 15 117.370 0.015 . 1 . . 436 . . 32 GLU N . 18628 1 399 . 1 1 33 33 LYS H H 1 7.788 0.011 . 1 . . 431 . . 33 LYS H . 18628 1 400 . 1 1 33 33 LYS HA H 1 3.937 0.009 . 1 . . 767 . . 33 LYS HA . 18628 1 401 . 1 1 33 33 LYS HB2 H 1 1.876 0.006 . 1 . . 766 . . 33 LYS HB2 . 18628 1 402 . 1 1 33 33 LYS HB3 H 1 1.876 0.006 . 1 . . 765 . . 33 LYS HB3 . 18628 1 403 . 1 1 33 33 LYS HG2 H 1 1.140 0.007 . 2 . . 769 . . 33 LYS HG2 . 18628 1 404 . 1 1 33 33 LYS HG3 H 1 1.396 0.001 . 2 . . 768 . . 33 LYS HG3 . 18628 1 405 . 1 1 33 33 LYS HD2 H 1 1.590 0.002 . 2 . . 771 . . 33 LYS HD2 . 18628 1 406 . 1 1 33 33 LYS HD3 H 1 1.528 0.003 . 2 . . 770 . . 33 LYS HD3 . 18628 1 407 . 1 1 33 33 LYS HE2 H 1 2.894 0.008 . 1 . . 773 . . 33 LYS HE2 . 18628 1 408 . 1 1 33 33 LYS HE3 H 1 2.894 0.008 . 1 . . 772 . . 33 LYS HE3 . 18628 1 409 . 1 1 33 33 LYS C C 13 178.658 0.074 . 1 . . 1375 . . 33 LYS C . 18628 1 410 . 1 1 33 33 LYS CA C 13 59.417 0.098 . 1 . . 274 . . 33 LYS CA . 18628 1 411 . 1 1 33 33 LYS CB C 13 32.538 0.068 . 1 . . 275 . . 33 LYS CB . 18628 1 412 . 1 1 33 33 LYS CG C 13 24.235 0.055 . 1 . . 276 . . 33 LYS CG . 18628 1 413 . 1 1 33 33 LYS CD C 13 29.573 0.069 . 1 . . 277 . . 33 LYS CD . 18628 1 414 . 1 1 33 33 LYS N N 15 118.967 0.028 . 1 . . 432 . . 33 LYS N . 18628 1 415 . 1 1 34 34 LEU H H 1 7.989 0.013 . 1 . . 272 . . 34 LEU H . 18628 1 416 . 1 1 34 34 LEU HA H 1 3.813 0.01 . 1 . . 775 . . 34 LEU HA . 18628 1 417 . 1 1 34 34 LEU HB2 H 1 0.483 0.017 . 2 . . 776 . . 34 LEU HB2 . 18628 1 418 . 1 1 34 34 LEU HB3 H 1 1.583 0.008 . 2 . . 774 . . 34 LEU HB3 . 18628 1 419 . 1 1 34 34 LEU HG H 1 1.455 0.006 . 1 . . 778 . . 34 LEU HG . 18628 1 420 . 1 1 34 34 LEU HD11 H 1 0.347 0.008 . 2 . . 779 . . 34 LEU HD11 . 18628 1 421 . 1 1 34 34 LEU HD12 H 1 0.347 0.008 . 2 . . 779 . . 34 LEU HD12 . 18628 1 422 . 1 1 34 34 LEU HD13 H 1 0.347 0.008 . 2 . . 779 . . 34 LEU HD13 . 18628 1 423 . 1 1 34 34 LEU HD21 H 1 0.088 0.012 . 2 . . 777 . . 34 LEU HD21 . 18628 1 424 . 1 1 34 34 LEU HD22 H 1 0.088 0.012 . 2 . . 777 . . 34 LEU HD22 . 18628 1 425 . 1 1 34 34 LEU HD23 H 1 0.088 0.012 . 2 . . 777 . . 34 LEU HD23 . 18628 1 426 . 1 1 34 34 LEU C C 13 179.125 0.074 . 1 . . 1376 . . 34 LEU C . 18628 1 427 . 1 1 34 34 LEU CA C 13 57.546 0.078 . 1 . . 271 . . 34 LEU CA . 18628 1 428 . 1 1 34 34 LEU CB C 13 42.035 0.106 . 1 . . 270 . . 34 LEU CB . 18628 1 429 . 1 1 34 34 LEU CG C 13 26.050 0.096 . 1 . . 780 . . 34 LEU CG . 18628 1 430 . 1 1 34 34 LEU CD1 C 13 25.851 0.175 . 2 . . 1343 . . 34 LEU CD1 . 18628 1 431 . 1 1 34 34 LEU CD2 C 13 20.834 0.132 . 2 . . 1272 . . 34 LEU CD2 . 18628 1 432 . 1 1 34 34 LEU N N 15 117.961 0.011 . 1 . . 273 . . 34 LEU N . 18628 1 433 . 1 1 35 35 ALA H H 1 8.876 0.016 . 1 . . 268 . . 35 ALA H . 18628 1 434 . 1 1 35 35 ALA HA H 1 4.149 0.005 . 1 . . 781 . . 35 ALA HA . 18628 1 435 . 1 1 35 35 ALA HB1 H 1 0.966 0.014 . 1 . . 782 . . 35 ALA HB1 . 18628 1 436 . 1 1 35 35 ALA HB2 H 1 0.966 0.014 . 1 . . 782 . . 35 ALA HB2 . 18628 1 437 . 1 1 35 35 ALA HB3 H 1 0.966 0.014 . 1 . . 782 . . 35 ALA HB3 . 18628 1 438 . 1 1 35 35 ALA C C 13 181.972 0.074 . 1 . . 1377 . . 35 ALA C . 18628 1 439 . 1 1 35 35 ALA CA C 13 54.686 0.05 . 1 . . 267 . . 35 ALA CA . 18628 1 440 . 1 1 35 35 ALA CB C 13 18.115 0.064 . 1 . . 266 . . 35 ALA CB . 18628 1 441 . 1 1 35 35 ALA N N 15 119.876 0.012 . 1 . . 269 . . 35 ALA N . 18628 1 442 . 1 1 36 36 ASN H H 1 8.595 0.009 . 1 . . 163 . . 36 ASN H . 18628 1 443 . 1 1 36 36 ASN HA H 1 4.801 0.014 . 1 . . 783 . . 36 ASN HA . 18628 1 444 . 1 1 36 36 ASN HB2 H 1 2.914 0.005 . 2 . . 785 . . 36 ASN HB2 . 18628 1 445 . 1 1 36 36 ASN HB3 H 1 3.077 0.005 . 2 . . 784 . . 36 ASN HB3 . 18628 1 446 . 1 1 36 36 ASN HD21 H 1 7.523 0.025 . 1 . . 1167 . . 36 ASN HD21 . 18628 1 447 . 1 1 36 36 ASN HD22 H 1 7.623 0.010 . 1 . . 1166 . . 36 ASN HD22 . 18628 1 448 . 1 1 36 36 ASN C C 13 178.526 0.074 . 1 . . 1378 . . 36 ASN C . 18628 1 449 . 1 1 36 36 ASN CA C 13 54.956 0.046 . 1 . . 263 . . 36 ASN CA . 18628 1 450 . 1 1 36 36 ASN CB C 13 36.734 0.085 . 1 . . 264 . . 36 ASN CB . 18628 1 451 . 1 1 36 36 ASN N N 15 116.040 0.066 . 1 . . 265 . . 36 ASN N . 18628 1 452 . 1 1 36 36 ASN ND2 N 15 109.675 0.034 . 1 . . 1165 . . 36 ASN ND2 . 18628 1 453 . 1 1 37 37 GLU H H 1 8.089 0.013 . 1 . . 261 . . 37 GLU H . 18628 1 454 . 1 1 37 37 GLU HA H 1 4.478 0.004 . 1 . . 791 . . 37 GLU HA . 18628 1 455 . 1 1 37 37 GLU HB2 H 1 2.267 0.004 . 2 . . 790 . . 37 GLU HB2 . 18628 1 456 . 1 1 37 37 GLU HB3 H 1 2.170 0.012 . 2 . . 787 . . 37 GLU HB3 . 18628 1 457 . 1 1 37 37 GLU HG2 H 1 2.533 0.008 . 1 . . 789 . . 37 GLU HG2 . 18628 1 458 . 1 1 37 37 GLU HG3 H 1 2.533 0.008 . 1 . . 788 . . 37 GLU HG3 . 18628 1 459 . 1 1 37 37 GLU C C 13 177.301 0.074 . 1 . . 1379 . . 37 GLU C . 18628 1 460 . 1 1 37 37 GLU CA C 13 56.710 0.078 . 1 . . 259 . . 37 GLU CA . 18628 1 461 . 1 1 37 37 GLU CB C 13 29.346 0.069 . 1 . . 260 . . 37 GLU CB . 18628 1 462 . 1 1 37 37 GLU CG C 13 36.555 0.059 . 1 . . 786 . . 37 GLU CG . 18628 1 463 . 1 1 37 37 GLU N N 15 119.969 0.032 . 1 . . 262 . . 37 GLU N . 18628 1 464 . 1 1 38 38 GLY H H 1 8.091 0.006 . 1 . . 256 . . 38 GLY H . 18628 1 465 . 1 1 38 38 GLY HA2 H 1 3.984 0.002 . 2 . . 793 . . 38 GLY HA2 . 18628 1 466 . 1 1 38 38 GLY HA3 H 1 4.290 0.003 . 2 . . 792 . . 38 GLY HA3 . 18628 1 467 . 1 1 38 38 GLY C C 13 176.043 0.074 . 1 . . 1380 . . 38 GLY C . 18628 1 468 . 1 1 38 38 GLY CA C 13 45.964 0.053 . 1 . . 258 . . 38 GLY CA . 18628 1 469 . 1 1 38 38 GLY N N 15 109.051 0.031 . 1 . . 257 . . 38 GLY N . 18628 1 470 . 1 1 39 39 PHE H H 1 8.407 0.008 . 1 . . 324 . . 39 PHE H . 18628 1 471 . 1 1 39 39 PHE HA H 1 3.799 0.013 . 1 . . 794 . . 39 PHE HA . 18628 1 472 . 1 1 39 39 PHE HB2 H 1 2.147 0.015 . 2 . . 796 . . 39 PHE HB2 . 18628 1 473 . 1 1 39 39 PHE HB3 H 1 3.033 0.005 . 2 . . 795 . . 39 PHE HB3 . 18628 1 474 . 1 1 39 39 PHE HD1 H 1 6.373 0.016 . 3 . . 1102 . . 39 PHE HD1 . 18628 1 475 . 1 1 39 39 PHE HD2 H 1 6.373 0.016 . 3 . . 1102 . . 39 PHE HD2 . 18628 1 476 . 1 1 39 39 PHE HE1 H 1 7.137 0.008 . 3 . . 1200 . . 39 PHE HE1 . 18628 1 477 . 1 1 39 39 PHE HE2 H 1 7.137 0.008 . 3 . . 1200 . . 39 PHE HE2 . 18628 1 478 . 1 1 39 39 PHE C C 13 175.938 0.074 . 1 . . 1381 . . 39 PHE C . 18628 1 479 . 1 1 39 39 PHE CA C 13 61.839 0.138 . 1 . . 319 . . 39 PHE CA . 18628 1 480 . 1 1 39 39 PHE CB C 13 41.303 0.061 . 1 . . 317 . . 39 PHE CB . 18628 1 481 . 1 1 39 39 PHE CD1 C 13 130.568 0.051 . 3 . . 1101 . . 39 PHE CD1 . 18628 1 482 . 1 1 39 39 PHE CD2 C 13 130.568 0.051 . 3 . . 1101 . . 39 PHE CD2 . 18628 1 483 . 1 1 39 39 PHE CE1 C 13 128.767 0.074 . 3 . . 1199 . . 39 PHE CE1 . 18628 1 484 . 1 1 39 39 PHE CE2 C 13 128.767 0.074 . 3 . . 1199 . . 39 PHE CE2 . 18628 1 485 . 1 1 39 39 PHE N N 15 121.601 0.022 . 1 . . 325 . . 39 PHE N . 18628 1 486 . 1 1 40 40 TYR H H 1 7.842 0.011 . 1 . . 314 . . 40 TYR H . 18628 1 487 . 1 1 40 40 TYR HA H 1 4.214 0.013 . 1 . . 799 . . 40 TYR HA . 18628 1 488 . 1 1 40 40 TYR HB2 H 1 2.761 0.013 . 2 . . 798 . . 40 TYR HB2 . 18628 1 489 . 1 1 40 40 TYR HB3 H 1 3.474 0.006 . 2 . . 797 . . 40 TYR HB3 . 18628 1 490 . 1 1 40 40 TYR HD1 H 1 6.777 0.010 . 3 . . 1202 . . 40 TYR HD1 . 18628 1 491 . 1 1 40 40 TYR HD2 H 1 6.777 0.010 . 3 . . 1202 . . 40 TYR HD2 . 18628 1 492 . 1 1 40 40 TYR C C 13 175.766 0.074 . 1 . . 1382 . . 40 TYR C . 18628 1 493 . 1 1 40 40 TYR CA C 13 59.011 0.079 . 1 . . 318 . . 40 TYR CA . 18628 1 494 . 1 1 40 40 TYR CB C 13 38.913 0.058 . 1 . . 316 . . 40 TYR CB . 18628 1 495 . 1 1 40 40 TYR CD1 C 13 129.423 0.074 . 3 . . 1201 . . 40 TYR CD1 . 18628 1 496 . 1 1 40 40 TYR CD2 C 13 129.423 0.074 . 3 . . 1201 . . 40 TYR CD2 . 18628 1 497 . 1 1 40 40 TYR N N 15 110.286 0.028 . 1 . . 315 . . 40 TYR N . 18628 1 498 . 1 1 41 41 ASN H H 1 7.155 0.011 . 1 . . 320 . . 41 ASN H . 18628 1 499 . 1 1 41 41 ASN HA H 1 4.133 0.015 . 1 . . 800 . . 41 ASN HA . 18628 1 500 . 1 1 41 41 ASN HB2 H 1 2.828 0.009 . 2 . . 802 . . 41 ASN HB2 . 18628 1 501 . 1 1 41 41 ASN HB3 H 1 3.090 0.01 . 2 . . 801 . . 41 ASN HB3 . 18628 1 502 . 1 1 41 41 ASN C C 13 176.063 0.074 . 1 . . 1383 . . 41 ASN C . 18628 1 503 . 1 1 41 41 ASN CA C 13 54.618 0.13 . 1 . . 322 . . 41 ASN CA . 18628 1 504 . 1 1 41 41 ASN CB C 13 35.831 0.06 . 1 . . 323 . . 41 ASN CB . 18628 1 505 . 1 1 41 41 ASN N N 15 119.027 0.027 . 1 . . 321 . . 41 ASN N . 18628 1 506 . 1 1 42 42 GLY H H 1 9.374 0.009 . 1 . . 326 . . 42 GLY H . 18628 1 507 . 1 1 42 42 GLY HA2 H 1 3.552 0.008 . 2 . . 804 . . 42 GLY HA2 . 18628 1 508 . 1 1 42 42 GLY HA3 H 1 4.360 0.015 . 2 . . 803 . . 42 GLY HA3 . 18628 1 509 . 1 1 42 42 GLY C C 13 174.749 0.074 . 1 . . 1384 . . 42 GLY C . 18628 1 510 . 1 1 42 42 GLY CA C 13 45.348 0.127 . 1 . . 313 . . 42 GLY CA . 18628 1 511 . 1 1 42 42 GLY N N 15 115.756 0.016 . 1 . . 327 . . 42 GLY N . 18628 1 512 . 1 1 43 43 LEU H H 1 8.191 0.012 . 1 . . 311 . . 43 LEU H . 18628 1 513 . 1 1 43 43 LEU HA H 1 4.618 0.006 . 1 . . 805 . . 43 LEU HA . 18628 1 514 . 1 1 43 43 LEU HB2 H 1 2.089 0.009 . 2 . . 808 . . 43 LEU HB2 . 18628 1 515 . 1 1 43 43 LEU HB3 H 1 1.379 0.008 . 2 . . 807 . . 43 LEU HB3 . 18628 1 516 . 1 1 43 43 LEU HG H 1 1.607 0.012 . 1 . . 810 . . 43 LEU HG . 18628 1 517 . 1 1 43 43 LEU HD11 H 1 0.674 0.013 . 2 . . 812 . . 43 LEU HD11 . 18628 1 518 . 1 1 43 43 LEU HD12 H 1 0.674 0.013 . 2 . . 812 . . 43 LEU HD12 . 18628 1 519 . 1 1 43 43 LEU HD13 H 1 0.674 0.013 . 2 . . 812 . . 43 LEU HD13 . 18628 1 520 . 1 1 43 43 LEU HD21 H 1 0.437 0.01 . 2 . . 806 . . 43 LEU HD21 . 18628 1 521 . 1 1 43 43 LEU HD22 H 1 0.437 0.01 . 2 . . 806 . . 43 LEU HD22 . 18628 1 522 . 1 1 43 43 LEU HD23 H 1 0.437 0.01 . 2 . . 806 . . 43 LEU HD23 . 18628 1 523 . 1 1 43 43 LEU C C 13 175.237 0.074 . 1 . . 1385 . . 43 LEU C . 18628 1 524 . 1 1 43 43 LEU CA C 13 53.970 0.021 . 1 . . 93 . . 43 LEU CA . 18628 1 525 . 1 1 43 43 LEU CB C 13 41.129 0.063 . 1 . . 94 . . 43 LEU CB . 18628 1 526 . 1 1 43 43 LEU CG C 13 26.261 0.074 . 1 . . 811 . . 43 LEU CG . 18628 1 527 . 1 1 43 43 LEU CD1 C 13 21.703 0.074 . 2 . . 1344 . . 43 LEU CD1 . 18628 1 528 . 1 1 43 43 LEU CD2 C 13 27.194 0.046 . 2 . . 809 . . 43 LEU CD2 . 18628 1 529 . 1 1 43 43 LEU N N 15 118.876 0.017 . 1 . . 312 . . 43 LEU N . 18628 1 530 . 1 1 44 44 THR H H 1 8.613 0.011 . 1 . . 89 . . 44 THR H . 18628 1 531 . 1 1 44 44 THR HA H 1 5.478 0.018 . 1 . . 813 . . 44 THR HA . 18628 1 532 . 1 1 44 44 THR HB H 1 3.858 0.014 . 1 . . 814 . . 44 THR HB . 18628 1 533 . 1 1 44 44 THR HG21 H 1 1.135 0.012 . 1 . . 815 . . 44 THR HG21 . 18628 1 534 . 1 1 44 44 THR HG22 H 1 1.135 0.012 . 1 . . 815 . . 44 THR HG22 . 18628 1 535 . 1 1 44 44 THR HG23 H 1 1.135 0.012 . 1 . . 815 . . 44 THR HG23 . 18628 1 536 . 1 1 44 44 THR C C 13 178.481 0.074 . 1 . . 1386 . . 44 THR C . 18628 1 537 . 1 1 44 44 THR CA C 13 60.279 0.081 . 1 . . 91 . . 44 THR CA . 18628 1 538 . 1 1 44 44 THR CB C 13 73.692 0.142 . 1 . . 92 . . 44 THR CB . 18628 1 539 . 1 1 44 44 THR CG2 C 13 22.367 0.084 . 1 . . 328 . . 44 THR CG2 . 18628 1 540 . 1 1 44 44 THR N N 15 105.868 0.02 . 1 . . 90 . . 44 THR N . 18628 1 541 . 1 1 45 45 PHE H H 1 8.623 0.009 . 1 . . 95 . . 45 PHE H . 18628 1 542 . 1 1 45 45 PHE HA H 1 4.857 0.013 . 1 . . 1135 . . 45 PHE HA . 18628 1 543 . 1 1 45 45 PHE HB2 H 1 2.496 0.013 . 2 . . 1137 . . 45 PHE HB2 . 18628 1 544 . 1 1 45 45 PHE HB3 H 1 2.824 0.02 . 2 . . 1136 . . 45 PHE HB3 . 18628 1 545 . 1 1 45 45 PHE HD1 H 1 6.728 0.014 . 3 . . 1139 . . 45 PHE HD1 . 18628 1 546 . 1 1 45 45 PHE HD2 H 1 6.728 0.014 . 3 . . 1139 . . 45 PHE HD2 . 18628 1 547 . 1 1 45 45 PHE HE1 H 1 7.014 0.01 . 3 . . 1203 . . 45 PHE HE1 . 18628 1 548 . 1 1 45 45 PHE HE2 H 1 7.014 0.01 . 3 . . 1203 . . 45 PHE HE2 . 18628 1 549 . 1 1 45 45 PHE C C 13 174.989 0.074 . 1 . . 1387 . . 45 PHE C . 18628 1 550 . 1 1 45 45 PHE CA C 13 59.748 0.063 . 1 . . 98 . . 45 PHE CA . 18628 1 551 . 1 1 45 45 PHE CB C 13 39.409 0.083 . 1 . . 97 . . 45 PHE CB . 18628 1 552 . 1 1 45 45 PHE CD1 C 13 129.241 0.076 . 3 . . 1138 . . 45 PHE CD1 . 18628 1 553 . 1 1 45 45 PHE CD2 C 13 129.241 0.076 . 3 . . 1138 . . 45 PHE CD2 . 18628 1 554 . 1 1 45 45 PHE CE1 C 13 129.046 0.018 . 3 . . 1204 . . 45 PHE CE1 . 18628 1 555 . 1 1 45 45 PHE CE2 C 13 129.046 0.018 . 3 . . 1204 . . 45 PHE CE2 . 18628 1 556 . 1 1 45 45 PHE N N 15 119.776 0.064 . 1 . . 96 . . 45 PHE N . 18628 1 557 . 1 1 46 46 HIS H H 1 7.641 0.011 . 1 . . 99 . . 46 HIS H . 18628 1 558 . 1 1 46 46 HIS HA H 1 4.528 0.004 . 1 . . 841 . . 46 HIS HA . 18628 1 559 . 1 1 46 46 HIS HB2 H 1 2.699 0.042 . 2 . . 1242 . . 46 HIS HB2 . 18628 1 560 . 1 1 46 46 HIS HB3 H 1 3.100 0.009 . 2 . . 1241 . . 46 HIS HB3 . 18628 1 561 . 1 1 46 46 HIS HD2 H 1 6.734 0.001 . 1 . . 1244 . . 46 HIS HD2 . 18628 1 562 . 1 1 46 46 HIS C C 13 174.497 0.074 . 1 . . 1388 . . 46 HIS C . 18628 1 563 . 1 1 46 46 HIS CA C 13 56.892 0.025 . 1 . . 100 . . 46 HIS CA . 18628 1 564 . 1 1 46 46 HIS CB C 13 32.066 0.148 . 1 . . 102 . . 46 HIS CB . 18628 1 565 . 1 1 46 46 HIS CD2 C 13 115.805 0.074 . 1 . . 1243 . . 46 HIS CD2 . 18628 1 566 . 1 1 46 46 HIS N N 15 119.877 0.043 . 1 . . 101 . . 46 HIS N . 18628 1 567 . 1 1 47 47 ARG H H 1 7.076 0.014 . 1 . . 329 . . 47 ARG H . 18628 1 568 . 1 1 47 47 ARG HA H 1 4.457 0.015 . 1 . . 832 . . 47 ARG HA . 18628 1 569 . 1 1 47 47 ARG HB2 H 1 1.231 0.005 . 2 . . 834 . . 47 ARG HB2 . 18628 1 570 . 1 1 47 47 ARG HB3 H 1 1.105 0.008 . 2 . . 833 . . 47 ARG HB3 . 18628 1 571 . 1 1 47 47 ARG HG2 H 1 1.453 0.012 . 2 . . 838 . . 47 ARG HG2 . 18628 1 572 . 1 1 47 47 ARG HG3 H 1 1.160 0.024 . 2 . . 835 . . 47 ARG HG3 . 18628 1 573 . 1 1 47 47 ARG HD2 H 1 3.058 0.004 . 2 . . 837 . . 47 ARG HD2 . 18628 1 574 . 1 1 47 47 ARG HD3 H 1 2.944 0.010 . 2 . . 836 . . 47 ARG HD3 . 18628 1 575 . 1 1 47 47 ARG C C 13 172.218 0.074 . 1 . . 1389 . . 47 ARG C . 18628 1 576 . 1 1 47 47 ARG CA C 13 55.497 0.111 . 1 . . 332 . . 47 ARG CA . 18628 1 577 . 1 1 47 47 ARG CB C 13 32.181 0.057 . 1 . . 331 . . 47 ARG CB . 18628 1 578 . 1 1 47 47 ARG CG C 13 26.799 0.077 . 1 . . 839 . . 47 ARG CG . 18628 1 579 . 1 1 47 47 ARG CD C 13 43.307 0.074 . 1 . . 840 . . 47 ARG CD . 18628 1 580 . 1 1 47 47 ARG N N 15 123.360 0.021 . 1 . . 330 . . 47 ARG N . 18628 1 581 . 1 1 48 48 VAL H H 1 9.425 0.018 . 1 . . 492 . . 48 VAL H . 18628 1 582 . 1 1 48 48 VAL HA H 1 4.522 0.012 . 1 . . 829 . . 48 VAL HA . 18628 1 583 . 1 1 48 48 VAL HB H 1 1.920 0.009 . 1 . . 827 . . 48 VAL HB . 18628 1 584 . 1 1 48 48 VAL HG11 H 1 0.691 0.02 . 2 . . 826 . . 48 VAL HG11 . 18628 1 585 . 1 1 48 48 VAL HG12 H 1 0.691 0.02 . 2 . . 826 . . 48 VAL HG12 . 18628 1 586 . 1 1 48 48 VAL HG13 H 1 0.691 0.02 . 2 . . 826 . . 48 VAL HG13 . 18628 1 587 . 1 1 48 48 VAL HG21 H 1 0.826 0.014 . 2 . . 828 . . 48 VAL HG21 . 18628 1 588 . 1 1 48 48 VAL HG22 H 1 0.826 0.014 . 2 . . 828 . . 48 VAL HG22 . 18628 1 589 . 1 1 48 48 VAL HG23 H 1 0.826 0.014 . 2 . . 828 . . 48 VAL HG23 . 18628 1 590 . 1 1 48 48 VAL C C 13 175.343 0.074 . 1 . . 1390 . . 48 VAL C . 18628 1 591 . 1 1 48 48 VAL CA C 13 61.916 0.082 . 1 . . 494 . . 48 VAL CA . 18628 1 592 . 1 1 48 48 VAL CB C 13 33.168 0.181 . 1 . . 495 . . 48 VAL CB . 18628 1 593 . 1 1 48 48 VAL CG1 C 13 20.493 0.089 . 2 . . 831 . . 48 VAL CG1 . 18628 1 594 . 1 1 48 48 VAL CG2 C 13 20.217 0.049 . 2 . . 830 . . 48 VAL CG2 . 18628 1 595 . 1 1 48 48 VAL N N 15 129.886 0.064 . 1 . . 493 . . 48 VAL N . 18628 1 596 . 1 1 49 49 ILE H H 1 8.664 0.011 . 1 . . 575 . . 49 ILE H . 18628 1 597 . 1 1 49 49 ILE HA H 1 4.703 0.014 . 1 . . 1147 . . 49 ILE HA . 18628 1 598 . 1 1 49 49 ILE HB H 1 1.966 0.01 . 1 . . 634 . . 49 ILE HB . 18628 1 599 . 1 1 49 49 ILE HG12 H 1 1.376 0.01 . 2 . . 637 . . 49 ILE HG12 . 18628 1 600 . 1 1 49 49 ILE HG13 H 1 1.134 0.006 . 2 . . 636 . . 49 ILE HG13 . 18628 1 601 . 1 1 49 49 ILE HG21 H 1 0.881 0.013 . 1 . . 635 . . 49 ILE HG21 . 18628 1 602 . 1 1 49 49 ILE HG22 H 1 0.881 0.013 . 1 . . 635 . . 49 ILE HG22 . 18628 1 603 . 1 1 49 49 ILE HG23 H 1 0.881 0.013 . 1 . . 635 . . 49 ILE HG23 . 18628 1 604 . 1 1 49 49 ILE HD11 H 1 0.818 0.012 . 1 . . 638 . . 49 ILE HD11 . 18628 1 605 . 1 1 49 49 ILE HD12 H 1 0.818 0.012 . 1 . . 638 . . 49 ILE HD12 . 18628 1 606 . 1 1 49 49 ILE HD13 H 1 0.818 0.012 . 1 . . 638 . . 49 ILE HD13 . 18628 1 607 . 1 1 49 49 ILE CA C 13 57.298 0.077 . 1 . . 578 . . 49 ILE CA . 18628 1 608 . 1 1 49 49 ILE CB C 13 39.897 0.144 . 1 . . 577 . . 49 ILE CB . 18628 1 609 . 1 1 49 49 ILE CG1 C 13 26.635 0.074 . 1 . . 639 . . 49 ILE CG1 . 18628 1 610 . 1 1 49 49 ILE CG2 C 13 17.610 0.08 . 1 . . 1206 . . 49 ILE CG2 . 18628 1 611 . 1 1 49 49 ILE CD1 C 13 12.912 0.099 . 1 . . 1205 . . 49 ILE CD1 . 18628 1 612 . 1 1 49 49 ILE N N 15 129.804 0.017 . 1 . . 576 . . 49 ILE N . 18628 1 613 . 1 1 50 50 PRO HA H 1 4.268 0.006 . 1 . . 1207 . . 50 PRO HA . 18628 1 614 . 1 1 50 50 PRO HB2 H 1 2.047 0.02 . 2 . . 1213 . . 50 PRO HB2 . 18628 1 615 . 1 1 50 50 PRO HB3 H 1 2.478 0.002 . 2 . . 1208 . . 50 PRO HB3 . 18628 1 616 . 1 1 50 50 PRO HG2 H 1 2.187 0.010 . 2 . . 1212 . . 50 PRO HG2 . 18628 1 617 . 1 1 50 50 PRO HG3 H 1 2.109 0.010 . 2 . . 1211 . . 50 PRO HG3 . 18628 1 618 . 1 1 50 50 PRO HD2 H 1 3.797 0.002 . 2 . . 1210 . . 50 PRO HD2 . 18628 1 619 . 1 1 50 50 PRO HD3 H 1 3.950 0.006 . 2 . . 1209 . . 50 PRO HD3 . 18628 1 620 . 1 1 50 50 PRO C C 13 177.703 0.074 . 1 . . 1391 . . 50 PRO C . 18628 1 621 . 1 1 50 50 PRO CA C 13 64.484 0.065 . 1 . . 310 . . 50 PRO CA . 18628 1 622 . 1 1 50 50 PRO CB C 13 32.127 0.047 . 1 . . 309 . . 50 PRO CB . 18628 1 623 . 1 1 50 50 PRO CG C 13 27.282 0.074 . 1 . . 824 . . 50 PRO CG . 18628 1 624 . 1 1 50 50 PRO CD C 13 51.708 0.088 . 1 . . 823 . . 50 PRO CD . 18628 1 625 . 1 1 51 51 GLY H H 1 9.575 0.009 . 1 . . 307 . . 51 GLY H . 18628 1 626 . 1 1 51 51 GLY HA2 H 1 3.763 0.013 . 2 . . 825 . . 51 GLY HA2 . 18628 1 627 . 1 1 51 51 GLY HA3 H 1 4.309 0.004 . 2 . . 1285 . . 51 GLY HA3 . 18628 1 628 . 1 1 51 51 GLY C C 13 172.900 0.074 . 1 . . 1392 . . 51 GLY C . 18628 1 629 . 1 1 51 51 GLY CA C 13 45.280 0.07 . 1 . . 303 . . 51 GLY CA . 18628 1 630 . 1 1 51 51 GLY N N 15 114.935 0.06 . 1 . . 308 . . 51 GLY N . 18628 1 631 . 1 1 52 52 PHE H H 1 8.390 0.014 . 1 . . 301 . . 52 PHE H . 18628 1 632 . 1 1 52 52 PHE HA H 1 5.149 0.011 . 1 . . 820 . . 52 PHE HA . 18628 1 633 . 1 1 52 52 PHE HB2 H 1 2.794 0.004 . 2 . . 822 . . 52 PHE HB2 . 18628 1 634 . 1 1 52 52 PHE HB3 H 1 2.948 0.003 . 2 . . 821 . . 52 PHE HB3 . 18628 1 635 . 1 1 52 52 PHE HD1 H 1 7.131 0.014 . 3 . . 1108 . . 52 PHE HD1 . 18628 1 636 . 1 1 52 52 PHE HD2 H 1 7.131 0.014 . 3 . . 1108 . . 52 PHE HD2 . 18628 1 637 . 1 1 52 52 PHE C C 13 173.165 0.074 . 1 . . 1393 . . 52 PHE C . 18628 1 638 . 1 1 52 52 PHE CA C 13 57.510 0.07 . 1 . . 300 . . 52 PHE CA . 18628 1 639 . 1 1 52 52 PHE CB C 13 39.441 0.053 . 1 . . 304 . . 52 PHE CB . 18628 1 640 . 1 1 52 52 PHE CD1 C 13 129.372 0.036 . 3 . . 1107 . . 52 PHE CD1 . 18628 1 641 . 1 1 52 52 PHE CD2 C 13 129.372 0.036 . 3 . . 1107 . . 52 PHE CD2 . 18628 1 642 . 1 1 52 52 PHE N N 15 119.812 0.053 . 1 . . 302 . . 52 PHE N . 18628 1 643 . 1 1 53 53 VAL H H 1 6.937 0.006 . 1 . . 305 . . 53 VAL H . 18628 1 644 . 1 1 53 53 VAL HA H 1 5.118 0.006 . 1 . . 816 . . 53 VAL HA . 18628 1 645 . 1 1 53 53 VAL HB H 1 1.663 0.01 . 1 . . 817 . . 53 VAL HB . 18628 1 646 . 1 1 53 53 VAL HG11 H 1 -0.129 0.011 . 2 . . 819 . . 53 VAL HG11 . 18628 1 647 . 1 1 53 53 VAL HG12 H 1 -0.129 0.011 . 2 . . 819 . . 53 VAL HG12 . 18628 1 648 . 1 1 53 53 VAL HG13 H 1 -0.129 0.011 . 2 . . 819 . . 53 VAL HG13 . 18628 1 649 . 1 1 53 53 VAL HG21 H 1 0.225 0.022 . 2 . . 818 . . 53 VAL HG21 . 18628 1 650 . 1 1 53 53 VAL HG22 H 1 0.225 0.022 . 2 . . 818 . . 53 VAL HG22 . 18628 1 651 . 1 1 53 53 VAL HG23 H 1 0.225 0.022 . 2 . . 818 . . 53 VAL HG23 . 18628 1 652 . 1 1 53 53 VAL C C 13 174.011 0.074 . 1 . . 1394 . . 53 VAL C . 18628 1 653 . 1 1 53 53 VAL CA C 13 58.809 0.157 . 1 . . 238 . . 53 VAL CA . 18628 1 654 . 1 1 53 53 VAL CB C 13 37.527 0.065 . 1 . . 299 . . 53 VAL CB . 18628 1 655 . 1 1 53 53 VAL CG1 C 13 21.012 0.063 . 2 . . 298 . . 53 VAL CG1 . 18628 1 656 . 1 1 53 53 VAL CG2 C 13 17.627 0.045 . 2 . . 1342 . . 53 VAL CG2 . 18628 1 657 . 1 1 53 53 VAL N N 15 109.381 0.042 . 1 . . 306 . . 53 VAL N . 18628 1 658 . 1 1 54 54 SER H H 1 8.567 0.012 . 1 . . 234 . . 54 SER H . 18628 1 659 . 1 1 54 54 SER HA H 1 5.073 0.011 . 1 . . 842 . . 54 SER HA . 18628 1 660 . 1 1 54 54 SER HB2 H 1 3.610 0.004 . 2 . . 844 . . 54 SER HB2 . 18628 1 661 . 1 1 54 54 SER HB3 H 1 3.848 0.014 . 2 . . 843 . . 54 SER HB3 . 18628 1 662 . 1 1 54 54 SER C C 13 172.157 0.074 . 1 . . 1395 . . 54 SER C . 18628 1 663 . 1 1 54 54 SER CA C 13 57.722 0.144 . 1 . . 237 . . 54 SER CA . 18628 1 664 . 1 1 54 54 SER CB C 13 65.322 0.058 . 1 . . 236 . . 54 SER CB . 18628 1 665 . 1 1 54 54 SER N N 15 115.138 0.072 . 1 . . 235 . . 54 SER N . 18628 1 666 . 1 1 55 55 GLN H H 1 9.568 0.014 . 1 . . 295 . . 55 GLN H . 18628 1 667 . 1 1 55 55 GLN HA H 1 5.135 0.014 . 1 . . 847 . . 55 GLN HA . 18628 1 668 . 1 1 55 55 GLN HB2 H 1 1.855 0.016 . 2 . . 846 . . 55 GLN HB2 . 18628 1 669 . 1 1 55 55 GLN HB3 H 1 1.835 0.022 . 2 . . 845 . . 55 GLN HB3 . 18628 1 670 . 1 1 55 55 GLN HG2 H 1 2.229 0.006 . 2 . . 849 . . 55 GLN HG2 . 18628 1 671 . 1 1 55 55 GLN HG3 H 1 2.017 0.008 . 2 . . 848 . . 55 GLN HG3 . 18628 1 672 . 1 1 55 55 GLN C C 13 174.341 0.074 . 1 . . 1396 . . 55 GLN C . 18628 1 673 . 1 1 55 55 GLN CA C 13 54.215 0.071 . 1 . . 293 . . 55 GLN CA . 18628 1 674 . 1 1 55 55 GLN CB C 13 30.529 0.053 . 1 . . 294 . . 55 GLN CB . 18628 1 675 . 1 1 55 55 GLN CG C 13 33.411 0.047 . 1 . . 297 . . 55 GLN CG . 18628 1 676 . 1 1 55 55 GLN N N 15 126.928 0.032 . 1 . . 296 . . 55 GLN N . 18628 1 677 . 1 1 56 56 GLY H H 1 8.647 0.017 . 1 . . 290 . . 56 GLY H . 18628 1 678 . 1 1 56 56 GLY HA2 H 1 4.964 0.01 . 2 . . 1146 . . 56 GLY HA2 . 18628 1 679 . 1 1 56 56 GLY HA3 H 1 3.074 0.005 . 2 . . 1145 . . 56 GLY HA3 . 18628 1 680 . 1 1 56 56 GLY C C 13 171.587 0.074 . 1 . . 1398 . . 56 GLY C . 18628 1 681 . 1 1 56 56 GLY CA C 13 46.375 0.031 . 1 . . 292 . . 56 GLY CA . 18628 1 682 . 1 1 56 56 GLY N N 15 111.683 0.039 . 1 . . 291 . . 56 GLY N . 18628 1 683 . 1 1 57 57 GLY H H 1 7.240 0.016 . 1 . . 338 . . 57 GLY H . 18628 1 684 . 1 1 57 57 GLY HA2 H 1 3.484 0.009 . 2 . . 649 . . 57 GLY HA2 . 18628 1 685 . 1 1 57 57 GLY HA3 H 1 4.510 0.004 . 2 . . 648 . . 57 GLY HA3 . 18628 1 686 . 1 1 57 57 GLY C C 13 170.903 0.074 . 1 . . 1397 . . 57 GLY C . 18628 1 687 . 1 1 57 57 GLY CA C 13 46.353 0.05 . 1 . . 336 . . 57 GLY CA . 18628 1 688 . 1 1 57 57 GLY N N 15 102.382 0.04 . 1 . . 337 . . 57 GLY N . 18628 1 689 . 1 1 58 58 CYS H H 1 9.721 0.014 . 1 . . 204 . . 58 CYS H . 18628 1 690 . 1 1 58 58 CYS HA H 1 4.526 0.005 . 1 . . 1143 . . 58 CYS HA . 18628 1 691 . 1 1 58 58 CYS HB2 H 1 2.164 0.01 . 2 . . 961 . . 58 CYS HB2 . 18628 1 692 . 1 1 58 58 CYS HB3 H 1 2.865 0.007 . 2 . . 960 . . 58 CYS HB3 . 18628 1 693 . 1 1 58 58 CYS CA C 13 56.757 0.041 . 1 . . 207 . . 58 CYS CA . 18628 1 694 . 1 1 58 58 CYS CB C 13 28.644 0.076 . 1 . . 206 . . 58 CYS CB . 18628 1 695 . 1 1 58 58 CYS N N 15 123.641 0.023 . 1 . . 205 . . 58 CYS N . 18628 1 696 . 1 1 59 59 PRO HA H 1 4.368 0.001 . 1 . . 1320 . . 59 PRO HA . 18628 1 697 . 1 1 59 59 PRO HB2 H 1 2.026 0.001 . 1 . . 1322 . . 59 PRO HB2 . 18628 1 698 . 1 1 59 59 PRO HB3 H 1 2.026 0.001 . 1 . . 1321 . . 59 PRO HB3 . 18628 1 699 . 1 1 59 59 PRO HG2 H 1 2.277 0.001 . 2 . . 1319 . . 59 PRO HG2 . 18628 1 700 . 1 1 59 59 PRO HG3 H 1 1.912 0.007 . 2 . . 1318 . . 59 PRO HG3 . 18628 1 701 . 1 1 59 59 PRO HD2 H 1 4.007 0.010 . 2 . . 1325 . . 59 PRO HD2 . 18628 1 702 . 1 1 59 59 PRO HD3 H 1 3.902 0.001 . 2 . . 1324 . . 59 PRO HD3 . 18628 1 703 . 1 1 59 59 PRO C C 13 177.290 0.074 . 1 . . 1399 . . 59 PRO C . 18628 1 704 . 1 1 59 59 PRO CA C 13 64.362 0.041 . 1 . . 411 . . 59 PRO CA . 18628 1 705 . 1 1 59 59 PRO CB C 13 31.636 0.157 . 1 . . 412 . . 59 PRO CB . 18628 1 706 . 1 1 59 59 PRO CG C 13 27.109 0.117 . 1 . . 1144 . . 59 PRO CG . 18628 1 707 . 1 1 59 59 PRO CD C 13 50.984 0.091 . 1 . . 1323 . . 59 PRO CD . 18628 1 708 . 1 1 60 60 ARG H H 1 10.030 0.014 . 1 . . 408 . . 60 ARG H . 18628 1 709 . 1 1 60 60 ARG HA H 1 4.374 0.008 . 1 . . 962 . . 60 ARG HA . 18628 1 710 . 1 1 60 60 ARG HB2 H 1 1.750 0.002 . 2 . . 964 . . 60 ARG HB2 . 18628 1 711 . 1 1 60 60 ARG HB3 H 1 1.617 0.008 . 2 . . 963 . . 60 ARG HB3 . 18628 1 712 . 1 1 60 60 ARG HG2 H 1 1.461 0.006 . 1 . . 966 . . 60 ARG HG2 . 18628 1 713 . 1 1 60 60 ARG HG3 H 1 1.461 0.006 . 1 . . 965 . . 60 ARG HG3 . 18628 1 714 . 1 1 60 60 ARG HD2 H 1 3.044 0.010 . 2 . . 968 . . 60 ARG HD2 . 18628 1 715 . 1 1 60 60 ARG HD3 H 1 2.950 0.017 . 2 . . 967 . . 60 ARG HD3 . 18628 1 716 . 1 1 60 60 ARG C C 13 176.793 0.074 . 1 . . 1400 . . 60 ARG C . 18628 1 717 . 1 1 60 60 ARG CA C 13 55.534 0.087 . 1 . . 410 . . 60 ARG CA . 18628 1 718 . 1 1 60 60 ARG CB C 13 30.452 0.096 . 1 . . 413 . . 60 ARG CB . 18628 1 719 . 1 1 60 60 ARG CG C 13 27.176 0.059 . 1 . . 417 . . 60 ARG CG . 18628 1 720 . 1 1 60 60 ARG CD C 13 43.301 0.074 . 1 . . 418 . . 60 ARG CD . 18628 1 721 . 1 1 60 60 ARG N N 15 123.141 0.035 . 1 . . 409 . . 60 ARG N . 18628 1 722 . 1 1 61 61 GLY H H 1 8.239 0.01 . 1 . . 414 . . 61 GLY H . 18628 1 723 . 1 1 61 61 GLY HA2 H 1 3.976 0.010 . 1 . . 970 . . 61 GLY HA2 . 18628 1 724 . 1 1 61 61 GLY HA3 H 1 3.976 0.010 . 1 . . 969 . . 61 GLY HA3 . 18628 1 725 . 1 1 61 61 GLY C C 13 173.354 0.074 . 1 . . 1401 . . 61 GLY C . 18628 1 726 . 1 1 61 61 GLY CA C 13 46.220 0.074 . 1 . . 416 . . 61 GLY CA . 18628 1 727 . 1 1 61 61 GLY N N 15 110.943 0.038 . 1 . . 415 . . 61 GLY N . 18628 1 728 . 1 1 62 62 ASN H H 1 8.201 0.011 . 1 . . 344 . . 62 ASN H . 18628 1 729 . 1 1 62 62 ASN HA H 1 4.654 0.003 . 1 . . 618 . . 62 ASN HA . 18628 1 730 . 1 1 62 62 ASN HB2 H 1 3.116 0.004 . 2 . . 972 . . 62 ASN HB2 . 18628 1 731 . 1 1 62 62 ASN HB3 H 1 2.626 0.008 . 2 . . 971 . . 62 ASN HB3 . 18628 1 732 . 1 1 62 62 ASN C C 13 175.697 0.074 . 1 . . 1402 . . 62 ASN C . 18628 1 733 . 1 1 62 62 ASN CA C 13 52.353 0.045 . 1 . . 343 . . 62 ASN CA . 18628 1 734 . 1 1 62 62 ASN CB C 13 39.343 0.052 . 1 . . 342 . . 62 ASN CB . 18628 1 735 . 1 1 62 62 ASN N N 15 114.203 0.015 . 1 . . 345 . . 62 ASN N . 18628 1 736 . 1 1 63 63 GLY H H 1 9.917 0.007 . 1 . . 339 . . 63 GLY H . 18628 1 737 . 1 1 63 63 GLY HA2 H 1 3.679 0.016 . 2 . . 974 . . 63 GLY HA2 . 18628 1 738 . 1 1 63 63 GLY HA3 H 1 4.436 0.008 . 2 . . 973 . . 63 GLY HA3 . 18628 1 739 . 1 1 63 63 GLY C C 13 176.517 0.074 . 1 . . 1403 . . 63 GLY C . 18628 1 740 . 1 1 63 63 GLY CA C 13 45.473 0.088 . 1 . . 341 . . 63 GLY CA . 18628 1 741 . 1 1 63 63 GLY N N 15 114.609 0.044 . 1 . . 340 . . 63 GLY N . 18628 1 742 . 1 1 64 64 THR H H 1 7.964 0.01 . 1 . . 5 . . 64 THR H . 18628 1 743 . 1 1 64 64 THR HA H 1 4.436 0.006 . 1 . . 977 . . 64 THR HA . 18628 1 744 . 1 1 64 64 THR HB H 1 4.328 0.007 . 1 . . 975 . . 64 THR HB . 18628 1 745 . 1 1 64 64 THR HG21 H 1 1.021 0.006 . 1 . . 976 . . 64 THR HG21 . 18628 1 746 . 1 1 64 64 THR HG22 H 1 1.021 0.006 . 1 . . 976 . . 64 THR HG22 . 18628 1 747 . 1 1 64 64 THR HG23 H 1 1.021 0.006 . 1 . . 976 . . 64 THR HG23 . 18628 1 748 . 1 1 64 64 THR C C 13 175.850 0.074 . 1 . . 1404 . . 64 THR C . 18628 1 749 . 1 1 64 64 THR CA C 13 62.269 0.042 . 1 . . 4 . . 64 THR CA . 18628 1 750 . 1 1 64 64 THR CB C 13 70.643 0.073 . 1 . . 32 . . 64 THR CB . 18628 1 751 . 1 1 64 64 THR CG2 C 13 21.180 0.074 . 1 . . 214 . . 64 THR CG2 . 18628 1 752 . 1 1 64 64 THR N N 15 113.420 0.038 . 1 . . 6 . . 64 THR N . 18628 1 753 . 1 1 65 65 GLY H H 1 9.595 0.01 . 1 . . 2 . . 65 GLY H . 18628 1 754 . 1 1 65 65 GLY HA2 H 1 4.390 0.007 . 2 . . 979 . . 65 GLY HA2 . 18628 1 755 . 1 1 65 65 GLY HA3 H 1 3.891 0.005 . 2 . . 978 . . 65 GLY HA3 . 18628 1 756 . 1 1 65 65 GLY C C 13 173.006 0.074 . 1 . . 1405 . . 65 GLY C . 18628 1 757 . 1 1 65 65 GLY CA C 13 44.859 0.061 . 1 . . 1 . . 65 GLY CA . 18628 1 758 . 1 1 65 65 GLY N N 15 117.274 0.028 . 1 . . 3 . . 65 GLY N . 18628 1 759 . 1 1 66 66 ASP H H 1 8.579 0.008 . 1 . . 42 . . 66 ASP H . 18628 1 760 . 1 1 66 66 ASP HA H 1 5.183 0.021 . 1 . . 981 . . 66 ASP HA . 18628 1 761 . 1 1 66 66 ASP HB2 H 1 2.929 0.017 . 2 . . 982 . . 66 ASP HB2 . 18628 1 762 . 1 1 66 66 ASP HB3 H 1 2.759 0.002 . 2 . . 980 . . 66 ASP HB3 . 18628 1 763 . 1 1 66 66 ASP C C 13 173.589 0.074 . 1 . . 1406 . . 66 ASP C . 18628 1 764 . 1 1 66 66 ASP CA C 13 53.848 0.098 . 1 . . 45 . . 66 ASP CA . 18628 1 765 . 1 1 66 66 ASP CB C 13 43.238 0.059 . 1 . . 44 . . 66 ASP CB . 18628 1 766 . 1 1 66 66 ASP N N 15 117.920 0.018 . 1 . . 43 . . 66 ASP N . 18628 1 767 . 1 1 67 67 ALA H H 1 8.113 0.01 . 1 . . 46 . . 67 ALA H . 18628 1 768 . 1 1 67 67 ALA HA H 1 4.453 0.004 . 1 . . 984 . . 67 ALA HA . 18628 1 769 . 1 1 67 67 ALA HB1 H 1 0.630 0.007 . 1 . . 983 . . 67 ALA HB1 . 18628 1 770 . 1 1 67 67 ALA HB2 H 1 0.630 0.007 . 1 . . 983 . . 67 ALA HB2 . 18628 1 771 . 1 1 67 67 ALA HB3 H 1 0.630 0.007 . 1 . . 983 . . 67 ALA HB3 . 18628 1 772 . 1 1 67 67 ALA C C 13 176.723 0.074 . 1 . . 1407 . . 67 ALA C . 18628 1 773 . 1 1 67 67 ALA CA C 13 51.371 0.067 . 1 . . 24 . . 67 ALA CA . 18628 1 774 . 1 1 67 67 ALA CB C 13 19.407 0.068 . 1 . . 37 . . 67 ALA CB . 18628 1 775 . 1 1 67 67 ALA N N 15 118.996 0.041 . 1 . . 47 . . 67 ALA N . 18628 1 776 . 1 1 68 68 GLY H H 1 9.348 0.009 . 1 . . 22 . . 68 GLY H . 18628 1 777 . 1 1 68 68 GLY HA2 H 1 3.552 0.014 . 2 . . 986 . . 68 GLY HA2 . 18628 1 778 . 1 1 68 68 GLY HA3 H 1 4.368 0.01 . 2 . . 985 . . 68 GLY HA3 . 18628 1 779 . 1 1 68 68 GLY C C 13 172.872 0.074 . 1 . . 1408 . . 68 GLY C . 18628 1 780 . 1 1 68 68 GLY CA C 13 45.076 0.066 . 1 . . 21 . . 68 GLY CA . 18628 1 781 . 1 1 68 68 GLY N N 15 108.160 0.025 . 1 . . 23 . . 68 GLY N . 18628 1 782 . 1 1 69 69 TYR H H 1 6.841 0.011 . 1 . . 212 . . 69 TYR H . 18628 1 783 . 1 1 69 69 TYR HA H 1 4.766 0.018 . 1 . . 987 . . 69 TYR HA . 18628 1 784 . 1 1 69 69 TYR HB2 H 1 3.093 0.007 . 2 . . 989 . . 69 TYR HB2 . 18628 1 785 . 1 1 69 69 TYR HB3 H 1 3.093 0.006 . 2 . . 988 . . 69 TYR HB3 . 18628 1 786 . 1 1 69 69 TYR HD1 H 1 6.607 0.007 . 3 . . 1112 . . 69 TYR HD1 . 18628 1 787 . 1 1 69 69 TYR HD2 H 1 6.607 0.007 . 3 . . 1112 . . 69 TYR HD2 . 18628 1 788 . 1 1 69 69 TYR C C 13 173.285 0.074 . 1 . . 1409 . . 69 TYR C . 18628 1 789 . 1 1 69 69 TYR CA C 13 55.577 0.0 . 1 . . 144 . . 69 TYR CA . 18628 1 790 . 1 1 69 69 TYR CB C 13 39.003 0.052 . 1 . . 145 . . 69 TYR CB . 18628 1 791 . 1 1 69 69 TYR CD1 C 13 131.231 0.0 . 3 . . 1111 . . 69 TYR CD1 . 18628 1 792 . 1 1 69 69 TYR CD2 C 13 131.231 0.0 . 3 . . 1111 . . 69 TYR CD2 . 18628 1 793 . 1 1 69 69 TYR N N 15 114.724 0.035 . 1 . . 213 . . 69 TYR N . 18628 1 794 . 1 1 70 70 THR H H 1 8.499 0.008 . 1 . . 140 . . 70 THR H . 18628 1 795 . 1 1 70 70 THR HA H 1 5.178 0.006 . 1 . . 991 . . 70 THR HA . 18628 1 796 . 1 1 70 70 THR HB H 1 4.397 0.008 . 1 . . 990 . . 70 THR HB . 18628 1 797 . 1 1 70 70 THR HG21 H 1 0.999 0.006 . 1 . . 992 . . 70 THR HG21 . 18628 1 798 . 1 1 70 70 THR HG22 H 1 0.999 0.006 . 1 . . 992 . . 70 THR HG22 . 18628 1 799 . 1 1 70 70 THR HG23 H 1 0.999 0.006 . 1 . . 992 . . 70 THR HG23 . 18628 1 800 . 1 1 70 70 THR C C 13 174.136 0.074 . 1 . . 1410 . . 70 THR C . 18628 1 801 . 1 1 70 70 THR CA C 13 59.462 0.107 . 1 . . 143 . . 70 THR CA . 18628 1 802 . 1 1 70 70 THR CB C 13 71.899 0.105 . 1 . . 142 . . 70 THR CB . 18628 1 803 . 1 1 70 70 THR CG2 C 13 21.744 0.1 . 1 . . 215 . . 70 THR CG2 . 18628 1 804 . 1 1 70 70 THR N N 15 110.990 0.015 . 1 . . 141 . . 70 THR N . 18628 1 805 . 1 1 71 71 ILE H H 1 8.300 0.014 . 1 . . 208 . . 71 ILE H . 18628 1 806 . 1 1 71 71 ILE HA H 1 4.887 0.006 . 1 . . 993 . . 71 ILE HA . 18628 1 807 . 1 1 71 71 ILE HB H 1 1.725 0.024 . 1 . . 994 . . 71 ILE HB . 18628 1 808 . 1 1 71 71 ILE HG12 H 1 1.310 0.004 . 1 . . 1000 . . 71 ILE HG12 . 18628 1 809 . 1 1 71 71 ILE HG13 H 1 1.310 0.004 . 1 . . 997 . . 71 ILE HG13 . 18628 1 810 . 1 1 71 71 ILE HG21 H 1 0.832 0.007 . 1 . . 998 . . 71 ILE HG21 . 18628 1 811 . 1 1 71 71 ILE HG22 H 1 0.832 0.007 . 1 . . 998 . . 71 ILE HG22 . 18628 1 812 . 1 1 71 71 ILE HG23 H 1 0.832 0.007 . 1 . . 998 . . 71 ILE HG23 . 18628 1 813 . 1 1 71 71 ILE HD11 H 1 0.829 0.010 . 1 . . 999 . . 71 ILE HD11 . 18628 1 814 . 1 1 71 71 ILE HD12 H 1 0.829 0.010 . 1 . . 999 . . 71 ILE HD12 . 18628 1 815 . 1 1 71 71 ILE HD13 H 1 0.829 0.010 . 1 . . 999 . . 71 ILE HD13 . 18628 1 816 . 1 1 71 71 ILE CA C 13 57.489 0.056 . 1 . . 210 . . 71 ILE CA . 18628 1 817 . 1 1 71 71 ILE CB C 13 39.730 0.052 . 1 . . 211 . . 71 ILE CB . 18628 1 818 . 1 1 71 71 ILE CG1 C 13 24.569 0.048 . 1 . . 1001 . . 71 ILE CG1 . 18628 1 819 . 1 1 71 71 ILE CG2 C 13 16.056 0.051 . 1 . . 995 . . 71 ILE CG2 . 18628 1 820 . 1 1 71 71 ILE CD1 C 13 14.482 0.074 . 1 . . 996 . . 71 ILE CD1 . 18628 1 821 . 1 1 71 71 ILE N N 15 114.290 0.029 . 1 . . 209 . . 71 ILE N . 18628 1 822 . 1 1 72 72 PRO HA H 1 4.388 0.007 . 1 . . 1218 . . 72 PRO HA . 18628 1 823 . 1 1 72 72 PRO HB2 H 1 1.880 0.010 . 2 . . 1220 . . 72 PRO HB2 . 18628 1 824 . 1 1 72 72 PRO HB3 H 1 2.184 0.009 . 2 . . 1219 . . 72 PRO HB3 . 18628 1 825 . 1 1 72 72 PRO HG2 H 1 1.974 0.008 . 1 . . 1215 . . 72 PRO HG2 . 18628 1 826 . 1 1 72 72 PRO HG3 H 1 1.974 0.008 . 1 . . 1214 . . 72 PRO HG3 . 18628 1 827 . 1 1 72 72 PRO HD2 H 1 3.578 0.01 . 2 . . 1217 . . 72 PRO HD2 . 18628 1 828 . 1 1 72 72 PRO HD3 H 1 3.667 0.004 . 2 . . 1216 . . 72 PRO HD3 . 18628 1 829 . 1 1 72 72 PRO C C 13 178.001 0.074 . 1 . . 1411 . . 72 PRO C . 18628 1 830 . 1 1 72 72 PRO CA C 13 61.635 0.097 . 1 . . 133 . . 72 PRO CA . 18628 1 831 . 1 1 72 72 PRO CB C 13 31.888 0.017 . 1 . . 132 . . 72 PRO CB . 18628 1 832 . 1 1 72 72 PRO CG C 13 27.093 0.058 . 1 . . 216 . . 72 PRO CG . 18628 1 833 . 1 1 72 72 PRO CD C 13 50.477 0.084 . 1 . . 1221 . . 72 PRO CD . 18628 1 834 . 1 1 73 73 CYS H H 1 8.930 0.008 . 1 . . 129 . . 73 CYS H . 18628 1 835 . 1 1 73 73 CYS HA H 1 4.229 0.002 . 1 . . 1003 . . 73 CYS HA . 18628 1 836 . 1 1 73 73 CYS HB2 H 1 2.834 0.01 . 2 . . 1004 . . 73 CYS HB2 . 18628 1 837 . 1 1 73 73 CYS HB3 H 1 2.683 0.005 . 2 . . 1002 . . 73 CYS HB3 . 18628 1 838 . 1 1 73 73 CYS C C 13 177.319 0.074 . 1 . . 1412 . . 73 CYS C . 18628 1 839 . 1 1 73 73 CYS CA C 13 64.452 0.151 . 1 . . 128 . . 73 CYS CA . 18628 1 840 . 1 1 73 73 CYS CB C 13 29.504 0.113 . 1 . . 131 . . 73 CYS CB . 18628 1 841 . 1 1 73 73 CYS N N 15 122.153 0.027 . 1 . . 130 . . 73 CYS N . 18628 1 842 . 1 1 74 74 GLU H H 1 8.850 0.017 . 1 . . 126 . . 74 GLU H . 18628 1 843 . 1 1 74 74 GLU HA H 1 4.753 0.01 . 1 . . 1149 . . 74 GLU HA . 18628 1 844 . 1 1 74 74 GLU HB2 H 1 2.047 0.009 . 2 . . 1150 . . 74 GLU HB2 . 18628 1 845 . 1 1 74 74 GLU HB3 H 1 2.374 0.011 . 2 . . 1148 . . 74 GLU HB3 . 18628 1 846 . 1 1 74 74 GLU HG2 H 1 2.045 0.010 . 2 . . 1152 . . 74 GLU HG2 . 18628 1 847 . 1 1 74 74 GLU HG3 H 1 2.141 0.010 . 2 . . 1151 . . 74 GLU HG3 . 18628 1 848 . 1 1 74 74 GLU C C 13 174.011 0.074 . 1 . . 1413 . . 74 GLU C . 18628 1 849 . 1 1 74 74 GLU CA C 13 55.151 0.017 . 1 . . 112 . . 74 GLU CA . 18628 1 850 . 1 1 74 74 GLU CB C 13 30.617 0.058 . 1 . . 113 . . 74 GLU CB . 18628 1 851 . 1 1 74 74 GLU CG C 13 37.639 0.023 . 1 . . 217 . . 74 GLU CG . 18628 1 852 . 1 1 74 74 GLU N N 15 126.858 0.022 . 1 . . 127 . . 74 GLU N . 18628 1 853 . 1 1 75 75 THR H H 1 7.395 0.019 . 1 . . 108 . . 75 THR H . 18628 1 854 . 1 1 75 75 THR HA H 1 4.435 0.007 . 1 . . 1005 . . 75 THR HA . 18628 1 855 . 1 1 75 75 THR HB H 1 4.163 0.005 . 1 . . 1332 . . 75 THR HB . 18628 1 856 . 1 1 75 75 THR HG21 H 1 0.995 0.004 . 1 . . 1006 . . 75 THR HG21 . 18628 1 857 . 1 1 75 75 THR HG22 H 1 0.995 0.004 . 1 . . 1006 . . 75 THR HG22 . 18628 1 858 . 1 1 75 75 THR HG23 H 1 0.995 0.004 . 1 . . 1006 . . 75 THR HG23 . 18628 1 859 . 1 1 75 75 THR C C 13 177.785 0.074 . 1 . . 1414 . . 75 THR C . 18628 1 860 . 1 1 75 75 THR CA C 13 61.906 0.071 . 1 . . 110 . . 75 THR CA . 18628 1 861 . 1 1 75 75 THR CB C 13 69.454 0.043 . 1 . . 111 . . 75 THR CB . 18628 1 862 . 1 1 75 75 THR CG2 C 13 22.243 0.074 . 1 . . 611 . . 75 THR CG2 . 18628 1 863 . 1 1 75 75 THR N N 15 107.424 0.009 . 1 . . 109 . . 75 THR N . 18628 1 864 . 1 1 76 76 ASP H H 1 8.383 0.009 . 1 . . 114 . . 76 ASP H . 18628 1 865 . 1 1 76 76 ASP HA H 1 4.400 0.007 . 1 . . 1223 . . 76 ASP HA . 18628 1 866 . 1 1 76 76 ASP HB2 H 1 2.599 0.002 . 2 . . 1224 . . 76 ASP HB2 . 18628 1 867 . 1 1 76 76 ASP HB3 H 1 2.599 0.002 . 2 . . 1222 . . 76 ASP HB3 . 18628 1 868 . 1 1 76 76 ASP C C 13 176.656 0.074 . 1 . . 1415 . . 76 ASP C . 18628 1 869 . 1 1 76 76 ASP CA C 13 56.695 0.084 . 1 . . 116 . . 76 ASP CA . 18628 1 870 . 1 1 76 76 ASP CB C 13 40.749 0.025 . 1 . . 117 . . 76 ASP CB . 18628 1 871 . 1 1 76 76 ASP N N 15 124.213 0.016 . 1 . . 115 . . 76 ASP N . 18628 1 872 . 1 1 77 77 ASN H H 1 9.090 0.01 . 1 . . 118 . . 77 ASN H . 18628 1 873 . 1 1 77 77 ASN HA H 1 4.578 0.001 . 1 . . 1140 . . 77 ASN HA . 18628 1 874 . 1 1 77 77 ASN HB2 H 1 2.995 0.003 . 2 . . 1142 . . 77 ASN HB2 . 18628 1 875 . 1 1 77 77 ASN HB3 H 1 2.736 0.010 . 2 . . 1141 . . 77 ASN HB3 . 18628 1 876 . 1 1 77 77 ASN C C 13 173.220 0.074 . 1 . . 1416 . . 77 ASN C . 18628 1 877 . 1 1 77 77 ASN CA C 13 53.439 0.067 . 1 . . 121 . . 77 ASN CA . 18628 1 878 . 1 1 77 77 ASN CB C 13 38.515 0.132 . 1 . . 120 . . 77 ASN CB . 18628 1 879 . 1 1 77 77 ASN N N 15 117.230 0.057 . 1 . . 119 . . 77 ASN N . 18628 1 880 . 1 1 78 78 ASN H H 1 7.190 0.011 . 1 . . 122 . . 78 ASN H . 18628 1 881 . 1 1 78 78 ASN HA H 1 4.980 0.015 . 1 . . 851 . . 78 ASN HA . 18628 1 882 . 1 1 78 78 ASN HB2 H 1 2.889 0.006 . 2 . . 853 . . 78 ASN HB2 . 18628 1 883 . 1 1 78 78 ASN HB3 H 1 3.278 0.012 . 2 . . 852 . . 78 ASN HB3 . 18628 1 884 . 1 1 78 78 ASN HD21 H 1 7.223 0.010 . 1 . . 1283 . . 78 ASN HD21 . 18628 1 885 . 1 1 78 78 ASN HD22 H 1 7.760 0.011 . 1 . . 1282 . . 78 ASN HD22 . 18628 1 886 . 1 1 78 78 ASN CA C 13 49.385 0.04 . 1 . . 125 . . 78 ASN CA . 18628 1 887 . 1 1 78 78 ASN CB C 13 39.813 0.063 . 1 . . 124 . . 78 ASN CB . 18628 1 888 . 1 1 78 78 ASN N N 15 117.266 0.088 . 1 . . 123 . . 78 ASN N . 18628 1 889 . 1 1 78 78 ASN ND2 N 15 106.647 0.014 . 1 . . 1281 . . 78 ASN ND2 . 18628 1 890 . 1 1 79 79 PRO HA H 1 4.437 0.006 . 1 . . 1261 . . 79 PRO HA . 18628 1 891 . 1 1 79 79 PRO HG2 H 1 1.812 0.011 . 2 . . 1260 . . 79 PRO HG2 . 18628 1 892 . 1 1 79 79 PRO HG3 H 1 0.961 0.014 . 2 . . 1258 . . 79 PRO HG3 . 18628 1 893 . 1 1 79 79 PRO HD2 H 1 3.465 0.004 . 2 . . 1259 . . 79 PRO HD2 . 18628 1 894 . 1 1 79 79 PRO HD3 H 1 3.838 0.011 . 2 . . 1257 . . 79 PRO HD3 . 18628 1 895 . 1 1 79 79 PRO C C 13 176.875 0.074 . 1 . . 1417 . . 79 PRO C . 18628 1 896 . 1 1 79 79 PRO CA C 13 62.852 0.135 . 1 . . 76 . . 79 PRO CA . 18628 1 897 . 1 1 79 79 PRO CB C 13 32.227 0.074 . 1 . . 75 . . 79 PRO CB . 18628 1 898 . 1 1 79 79 PRO CG C 13 25.326 0.074 . 1 . . 218 . . 79 PRO CG . 18628 1 899 . 1 1 79 79 PRO CD C 13 50.577 0.042 . 1 . . 219 . . 79 PRO CD . 18628 1 900 . 1 1 80 80 HIS H H 1 7.850 0.017 . 1 . . 73 . . 80 HIS H . 18628 1 901 . 1 1 80 80 HIS HA H 1 4.209 0.005 . 1 . . 850 . . 80 HIS HA . 18628 1 902 . 1 1 80 80 HIS HB2 H 1 3.087 0.004 . 2 . . 1263 . . 80 HIS HB2 . 18628 1 903 . 1 1 80 80 HIS HB3 H 1 3.132 0.004 . 2 . . 1262 . . 80 HIS HB3 . 18628 1 904 . 1 1 80 80 HIS HD2 H 1 7.186 0.002 . 1 . . 1226 . . 80 HIS HD2 . 18628 1 905 . 1 1 80 80 HIS C C 13 174.519 0.074 . 1 . . 1418 . . 80 HIS C . 18628 1 906 . 1 1 80 80 HIS CA C 13 57.107 0.092 . 1 . . 72 . . 80 HIS CA . 18628 1 907 . 1 1 80 80 HIS CB C 13 27.426 0.058 . 1 . . 71 . . 80 HIS CB . 18628 1 908 . 1 1 80 80 HIS CD2 C 13 117.417 0.074 . 1 . . 1225 . . 80 HIS CD2 . 18628 1 909 . 1 1 80 80 HIS N N 15 120.187 0.031 . 1 . . 74 . . 80 HIS N . 18628 1 910 . 1 1 81 81 ARG H H 1 8.491 0.015 . 1 . . 69 . . 81 ARG H . 18628 1 911 . 1 1 81 81 ARG HA H 1 4.689 0.007 . 1 . . 858 . . 81 ARG HA . 18628 1 912 . 1 1 81 81 ARG HB2 H 1 1.660 0.005 . 2 . . 857 . . 81 ARG HB2 . 18628 1 913 . 1 1 81 81 ARG HB3 H 1 2.223 0.008 . 2 . . 856 . . 81 ARG HB3 . 18628 1 914 . 1 1 81 81 ARG HG2 H 1 1.510 0.013 . 2 . . 860 . . 81 ARG HG2 . 18628 1 915 . 1 1 81 81 ARG HG3 H 1 1.769 0.004 . 2 . . 859 . . 81 ARG HG3 . 18628 1 916 . 1 1 81 81 ARG HD2 H 1 3.153 0.004 . 2 . . 855 . . 81 ARG HD2 . 18628 1 917 . 1 1 81 81 ARG HD3 H 1 3.153 0.004 . 2 . . 854 . . 81 ARG HD3 . 18628 1 918 . 1 1 81 81 ARG C C 13 176.891 0.074 . 1 . . 1419 . . 81 ARG C . 18628 1 919 . 1 1 81 81 ARG CA C 13 54.895 0.072 . 1 . . 64 . . 81 ARG CA . 18628 1 920 . 1 1 81 81 ARG CB C 13 33.694 0.072 . 1 . . 63 . . 81 ARG CB . 18628 1 921 . 1 1 81 81 ARG CG C 13 27.848 0.042 . 1 . . 220 . . 81 ARG CG . 18628 1 922 . 1 1 81 81 ARG CD C 13 43.148 0.043 . 1 . . 221 . . 81 ARG CD . 18628 1 923 . 1 1 81 81 ARG N N 15 122.849 0.032 . 1 . . 70 . . 81 ARG N . 18628 1 924 . 1 1 82 82 HIS H H 1 10.893 0.012 . 1 . . 61 . . 82 HIS H . 18628 1 925 . 1 1 82 82 HIS HA H 1 4.081 0.005 . 1 . . 863 . . 82 HIS HA . 18628 1 926 . 1 1 82 82 HIS HB2 H 1 2.827 0.006 . 2 . . 862 . . 82 HIS HB2 . 18628 1 927 . 1 1 82 82 HIS HB3 H 1 3.210 0.009 . 2 . . 861 . . 82 HIS HB3 . 18628 1 928 . 1 1 82 82 HIS HD2 H 1 6.487 0.02 . 1 . . 1098 . . 82 HIS HD2 . 18628 1 929 . 1 1 82 82 HIS C C 13 175.984 0.074 . 1 . . 1420 . . 82 HIS C . 18628 1 930 . 1 1 82 82 HIS CA C 13 58.742 0.044 . 1 . . 68 . . 82 HIS CA . 18628 1 931 . 1 1 82 82 HIS CB C 13 26.020 0.115 . 1 . . 67 . . 82 HIS CB . 18628 1 932 . 1 1 82 82 HIS CD2 C 13 124.072 0.074 . 1 . . 1097 . . 82 HIS CD2 . 18628 1 933 . 1 1 82 82 HIS N N 15 121.770 0.036 . 1 . . 62 . . 82 HIS N . 18628 1 934 . 1 1 83 83 VAL H H 1 7.611 0.025 . 1 . . 65 . . 83 VAL H . 18628 1 935 . 1 1 83 83 VAL HA H 1 4.279 0.005 . 1 . . 864 . . 83 VAL HA . 18628 1 936 . 1 1 83 83 VAL HB H 1 2.529 0.01 . 1 . . 865 . . 83 VAL HB . 18628 1 937 . 1 1 83 83 VAL HG11 H 1 0.905 0.008 . 2 . . 869 . . 83 VAL HG11 . 18628 1 938 . 1 1 83 83 VAL HG12 H 1 0.905 0.008 . 2 . . 869 . . 83 VAL HG12 . 18628 1 939 . 1 1 83 83 VAL HG13 H 1 0.905 0.008 . 2 . . 869 . . 83 VAL HG13 . 18628 1 940 . 1 1 83 83 VAL HG21 H 1 0.940 0.001 . 2 . . 867 . . 83 VAL HG21 . 18628 1 941 . 1 1 83 83 VAL HG22 H 1 0.940 0.001 . 2 . . 867 . . 83 VAL HG22 . 18628 1 942 . 1 1 83 83 VAL HG23 H 1 0.940 0.001 . 2 . . 867 . . 83 VAL HG23 . 18628 1 943 . 1 1 83 83 VAL C C 13 174.439 0.074 . 1 . . 1421 . . 83 VAL C . 18628 1 944 . 1 1 83 83 VAL CA C 13 59.960 0.133 . 1 . . 16 . . 83 VAL CA . 18628 1 945 . 1 1 83 83 VAL CB C 13 32.925 0.079 . 1 . . 36 . . 83 VAL CB . 18628 1 946 . 1 1 83 83 VAL CG1 C 13 17.471 0.031 . 2 . . 868 . . 83 VAL CG1 . 18628 1 947 . 1 1 83 83 VAL CG2 C 13 21.935 0.087 . 2 . . 866 . . 83 VAL CG2 . 18628 1 948 . 1 1 83 83 VAL N N 15 119.608 0.023 . 1 . . 66 . . 83 VAL N . 18628 1 949 . 1 1 84 84 THR H H 1 8.230 0.012 . 1 . . 14 . . 84 THR H . 18628 1 950 . 1 1 84 84 THR HA H 1 3.313 0.009 . 1 . . 871 . . 84 THR HA . 18628 1 951 . 1 1 84 84 THR HB H 1 3.924 0.006 . 1 . . 870 . . 84 THR HB . 18628 1 952 . 1 1 84 84 THR HG21 H 1 1.262 0.006 . 1 . . 872 . . 84 THR HG21 . 18628 1 953 . 1 1 84 84 THR HG22 H 1 1.262 0.006 . 1 . . 872 . . 84 THR HG22 . 18628 1 954 . 1 1 84 84 THR HG23 H 1 1.262 0.006 . 1 . . 872 . . 84 THR HG23 . 18628 1 955 . 1 1 84 84 THR C C 13 176.060 0.074 . 1 . . 1422 . . 84 THR C . 18628 1 956 . 1 1 84 84 THR CA C 13 66.783 0.06 . 1 . . 12 . . 84 THR CA . 18628 1 957 . 1 1 84 84 THR CB C 13 69.145 0.067 . 1 . . 35 . . 84 THR CB . 18628 1 958 . 1 1 84 84 THR CG2 C 13 21.793 0.096 . 1 . . 222 . . 84 THR CG2 . 18628 1 959 . 1 1 84 84 THR N N 15 116.230 0.011 . 1 . . 15 . . 84 THR N . 18628 1 960 . 1 1 85 85 GLY H H 1 9.049 0.01 . 1 . . 11 . . 85 GLY H . 18628 1 961 . 1 1 85 85 GLY HA2 H 1 3.787 0.01 . 2 . . 874 . . 85 GLY HA2 . 18628 1 962 . 1 1 85 85 GLY HA3 H 1 4.136 0.006 . 2 . . 873 . . 85 GLY HA3 . 18628 1 963 . 1 1 85 85 GLY C C 13 173.194 0.074 . 1 . . 1423 . . 85 GLY C . 18628 1 964 . 1 1 85 85 GLY CA C 13 46.854 0.072 . 1 . . 7 . . 85 GLY CA . 18628 1 965 . 1 1 85 85 GLY N N 15 116.136 0.011 . 1 . . 13 . . 85 GLY N . 18628 1 966 . 1 1 86 86 ALA H H 1 8.460 0.01 . 1 . . 8 . . 86 ALA H . 18628 1 967 . 1 1 86 86 ALA HA H 1 4.241 0.002 . 1 . . 875 . . 86 ALA HA . 18628 1 968 . 1 1 86 86 ALA HB1 H 1 1.450 0.009 . 1 . . 876 . . 86 ALA HB1 . 18628 1 969 . 1 1 86 86 ALA HB2 H 1 1.450 0.009 . 1 . . 876 . . 86 ALA HB2 . 18628 1 970 . 1 1 86 86 ALA HB3 H 1 1.450 0.009 . 1 . . 876 . . 86 ALA HB3 . 18628 1 971 . 1 1 86 86 ALA C C 13 175.593 0.074 . 1 . . 1424 . . 86 ALA C . 18628 1 972 . 1 1 86 86 ALA CA C 13 53.436 0.059 . 1 . . 10 . . 86 ALA CA . 18628 1 973 . 1 1 86 86 ALA CB C 13 20.177 0.125 . 1 . . 33 . . 86 ALA CB . 18628 1 974 . 1 1 86 86 ALA N N 15 124.171 0.042 . 1 . . 9 . . 86 ALA N . 18628 1 975 . 1 1 87 87 MET H H 1 7.529 0.011 . 1 . . 17 . . 87 MET H . 18628 1 976 . 1 1 87 87 MET HA H 1 4.669 0.010 . 1 . . 881 . . 87 MET HA . 18628 1 977 . 1 1 87 87 MET HB2 H 1 0.616 0.013 . 2 . . 878 . . 87 MET HB2 . 18628 1 978 . 1 1 87 87 MET HB3 H 1 -0.010 0.016 . 2 . . 877 . . 87 MET HB3 . 18628 1 979 . 1 1 87 87 MET HG2 H 1 1.792 0.008 . 2 . . 880 . . 87 MET HG2 . 18628 1 980 . 1 1 87 87 MET HG3 H 1 1.597 0.003 . 2 . . 879 . . 87 MET HG3 . 18628 1 981 . 1 1 87 87 MET C C 13 173.636 0.074 . 1 . . 1425 . . 87 MET C . 18628 1 982 . 1 1 87 87 MET CA C 13 53.673 0.03 . 1 . . 60 . . 87 MET CA . 18628 1 983 . 1 1 87 87 MET CB C 13 34.739 0.066 . 1 . . 59 . . 87 MET CB . 18628 1 984 . 1 1 87 87 MET CG C 13 31.445 0.017 . 1 . . 223 . . 87 MET CG . 18628 1 985 . 1 1 87 87 MET N N 15 118.718 0.013 . 1 . . 18 . . 87 MET N . 18628 1 986 . 1 1 88 88 SER H H 1 8.441 0.012 . 1 . . 19 . . 88 SER H . 18628 1 987 . 1 1 88 88 SER HA H 1 5.407 0.011 . 1 . . 882 . . 88 SER HA . 18628 1 988 . 1 1 88 88 SER HB2 H 1 1.913 0.007 . 2 . . 884 . . 88 SER HB2 . 18628 1 989 . 1 1 88 88 SER HB3 H 1 2.664 0.005 . 2 . . 883 . . 88 SER HB3 . 18628 1 990 . 1 1 88 88 SER C C 13 174.416 0.074 . 1 . . 1426 . . 88 SER C . 18628 1 991 . 1 1 88 88 SER CA C 13 54.171 0.063 . 1 . . 195 . . 88 SER CA . 18628 1 992 . 1 1 88 88 SER CB C 13 64.646 0.081 . 1 . . 194 . . 88 SER CB . 18628 1 993 . 1 1 88 88 SER N N 15 117.899 0.026 . 1 . . 20 . . 88 SER N . 18628 1 994 . 1 1 89 89 MET H H 1 7.821 0.017 . 1 . . 192 . . 89 MET H . 18628 1 995 . 1 1 89 89 MET HA H 1 5.180 0.016 . 1 . . 885 . . 89 MET HA . 18628 1 996 . 1 1 89 89 MET HB2 H 1 2.432 0.018 . 1 . . 887 . . 89 MET HB2 . 18628 1 997 . 1 1 89 89 MET HB3 H 1 2.432 0.018 . 1 . . 886 . . 89 MET HB3 . 18628 1 998 . 1 1 89 89 MET HG2 H 1 2.721 0.013 . 2 . . 890 . . 89 MET HG2 . 18628 1 999 . 1 1 89 89 MET HG3 H 1 2.721 0.011 . 2 . . 889 . . 89 MET HG3 . 18628 1 1000 . 1 1 89 89 MET HE1 H 1 1.904 0.01 . 1 . . 1299 . . 89 MET HE1 . 18628 1 1001 . 1 1 89 89 MET HE2 H 1 1.904 0.01 . 1 . . 1299 . . 89 MET HE2 . 18628 1 1002 . 1 1 89 89 MET HE3 H 1 1.904 0.01 . 1 . . 1299 . . 89 MET HE3 . 18628 1 1003 . 1 1 89 89 MET C C 13 176.757 0.074 . 1 . . 1427 . . 89 MET C . 18628 1 1004 . 1 1 89 89 MET CA C 13 53.452 0.026 . 1 . . 191 . . 89 MET CA . 18628 1 1005 . 1 1 89 89 MET CB C 13 32.138 0.112 . 1 . . 190 . . 89 MET CB . 18628 1 1006 . 1 1 89 89 MET CG C 13 32.374 0.148 . 1 . . 888 . . 89 MET CG . 18628 1 1007 . 1 1 89 89 MET CE C 13 14.698 0.115 . 1 . . 1298 . . 89 MET CE . 18628 1 1008 . 1 1 89 89 MET N N 15 123.300 0.045 . 1 . . 193 . . 89 MET N . 18628 1 1009 . 1 1 90 90 ALA H H 1 7.885 0.007 . 1 . . 188 . . 90 ALA H . 18628 1 1010 . 1 1 90 90 ALA HA H 1 4.419 0.004 . 1 . . 892 . . 90 ALA HA . 18628 1 1011 . 1 1 90 90 ALA HB1 H 1 1.242 0.009 . 1 . . 891 . . 90 ALA HB1 . 18628 1 1012 . 1 1 90 90 ALA HB2 H 1 1.242 0.009 . 1 . . 891 . . 90 ALA HB2 . 18628 1 1013 . 1 1 90 90 ALA HB3 H 1 1.242 0.009 . 1 . . 891 . . 90 ALA HB3 . 18628 1 1014 . 1 1 90 90 ALA C C 13 175.862 0.074 . 1 . . 1428 . . 90 ALA C . 18628 1 1015 . 1 1 90 90 ALA CA C 13 51.445 0.026 . 1 . . 185 . . 90 ALA CA . 18628 1 1016 . 1 1 90 90 ALA CB C 13 20.146 0.06 . 1 . . 187 . . 90 ALA CB . 18628 1 1017 . 1 1 90 90 ALA N N 15 125.309 0.048 . 1 . . 189 . . 90 ALA N . 18628 1 1018 . 1 1 91 91 HIS H H 1 7.832 0.007 . 1 . . 182 . . 91 HIS H . 18628 1 1019 . 1 1 91 91 HIS HA H 1 4.754 0.014 . 1 . . 893 . . 91 HIS HA . 18628 1 1020 . 1 1 91 91 HIS HB2 H 1 3.313 0.011 . 2 . . 895 . . 91 HIS HB2 . 18628 1 1021 . 1 1 91 91 HIS HB3 H 1 3.313 0.011 . 2 . . 894 . . 91 HIS HB3 . 18628 1 1022 . 1 1 91 91 HIS C C 13 174.439 0.074 . 1 . . 1429 . . 91 HIS C . 18628 1 1023 . 1 1 91 91 HIS CA C 13 56.635 0.038 . 1 . . 184 . . 91 HIS CA . 18628 1 1024 . 1 1 91 91 HIS CB C 13 30.725 0.07 . 1 . . 186 . . 91 HIS CB . 18628 1 1025 . 1 1 91 91 HIS N N 15 113.942 0.028 . 1 . . 183 . . 91 HIS N . 18628 1 1026 . 1 1 92 92 ARG H H 1 8.396 0.015 . 1 . . 353 . . 92 ARG H . 18628 1 1027 . 1 1 92 92 ARG HA H 1 4.849 0.006 . 1 . . 897 . . 92 ARG HA . 18628 1 1028 . 1 1 92 92 ARG HB2 H 1 1.779 0.003 . 2 . . 900 . . 92 ARG HB2 . 18628 1 1029 . 1 1 92 92 ARG HB3 H 1 1.926 0.001 . 2 . . 899 . . 92 ARG HB3 . 18628 1 1030 . 1 1 92 92 ARG HG2 H 1 1.572 0.010 . 2 . . 902 . . 92 ARG HG2 . 18628 1 1031 . 1 1 92 92 ARG HG3 H 1 1.623 0.010 . 2 . . 901 . . 92 ARG HG3 . 18628 1 1032 . 1 1 92 92 ARG HD2 H 1 3.227 0.006 . 2 . . 898 . . 92 ARG HD2 . 18628 1 1033 . 1 1 92 92 ARG HD3 H 1 3.227 0.006 . 2 . . 896 . . 92 ARG HD3 . 18628 1 1034 . 1 1 92 92 ARG C C 13 176.096 0.074 . 1 . . 1430 . . 92 ARG C . 18628 1 1035 . 1 1 92 92 ARG CA C 13 54.236 0.069 . 1 . . 350 . . 92 ARG CA . 18628 1 1036 . 1 1 92 92 ARG CB C 13 29.363 0.057 . 1 . . 349 . . 92 ARG CB . 18628 1 1037 . 1 1 92 92 ARG CG C 13 26.845 0.068 . 1 . . 351 . . 92 ARG CG . 18628 1 1038 . 1 1 92 92 ARG CD C 13 43.669 0.074 . 1 . . 352 . . 92 ARG CD . 18628 1 1039 . 1 1 92 92 ARG N N 15 120.396 0.081 . 1 . . 354 . . 92 ARG N . 18628 1 1040 . 1 1 93 93 GLY H H 1 10.464 0.016 . 1 . . 346 . . 93 GLY H . 18628 1 1041 . 1 1 93 93 GLY HA2 H 1 3.616 0.003 . 2 . . 904 . . 93 GLY HA2 . 18628 1 1042 . 1 1 93 93 GLY HA3 H 1 4.439 0.007 . 2 . . 903 . . 93 GLY HA3 . 18628 1 1043 . 1 1 93 93 GLY C C 13 173.387 0.074 . 1 . . 1431 . . 93 GLY C . 18628 1 1044 . 1 1 93 93 GLY CA C 13 43.131 0.04 . 1 . . 348 . . 93 GLY CA . 18628 1 1045 . 1 1 93 93 GLY N N 15 114.703 0.047 . 1 . . 347 . . 93 GLY N . 18628 1 1046 . 1 1 94 94 ARG H H 1 8.291 0.011 . 1 . . 520 . . 94 ARG H . 18628 1 1047 . 1 1 94 94 ARG HA H 1 4.010 0.005 . 1 . . 1292 . . 94 ARG HA . 18628 1 1048 . 1 1 94 94 ARG HB2 H 1 1.633 0.004 . 2 . . 1157 . . 94 ARG HB2 . 18628 1 1049 . 1 1 94 94 ARG HB3 H 1 1.694 0.004 . 2 . . 1156 . . 94 ARG HB3 . 18628 1 1050 . 1 1 94 94 ARG HG2 H 1 1.568 0.007 . 2 . . 1160 . . 94 ARG HG2 . 18628 1 1051 . 1 1 94 94 ARG HG3 H 1 1.626 0.008 . 2 . . 1159 . . 94 ARG HG3 . 18628 1 1052 . 1 1 94 94 ARG HD3 H 1 3.321 0.004 . 1 . . 1161 . . 94 ARG HD3 . 18628 1 1053 . 1 1 94 94 ARG CA C 13 57.004 0.088 . 1 . . 523 . . 94 ARG CA . 18628 1 1054 . 1 1 94 94 ARG CB C 13 29.884 0.087 . 1 . . 522 . . 94 ARG CB . 18628 1 1055 . 1 1 94 94 ARG CG C 13 26.645 0.093 . 1 . . 1158 . . 94 ARG CG . 18628 1 1056 . 1 1 94 94 ARG CD C 13 43.686 0.037 . 1 . . 1291 . . 94 ARG CD . 18628 1 1057 . 1 1 94 94 ARG N N 15 124.354 0.019 . 1 . . 521 . . 94 ARG N . 18628 1 1058 . 1 1 95 95 ASP H H 1 10.843 0.012 . 1 . . 1286 . . 95 ASP H . 18628 1 1059 . 1 1 95 95 ASP HA H 1 4.625 0.010 . 1 . . 1294 . . 95 ASP HA . 18628 1 1060 . 1 1 95 95 ASP HB2 H 1 2.880 0.008 . 2 . . 1293 . . 95 ASP HB2 . 18628 1 1061 . 1 1 95 95 ASP HB3 H 1 3.103 0.010 . 2 . . 1295 . . 95 ASP HB3 . 18628 1 1062 . 1 1 95 95 ASP C C 13 176.280 0.074 . 1 . . 1432 . . 95 ASP C . 18628 1 1063 . 1 1 95 95 ASP CA C 13 55.874 0.074 . 1 . . 139 . . 95 ASP CA . 18628 1 1064 . 1 1 95 95 ASP CB C 13 38.058 0.07 . 1 . . 138 . . 95 ASP CB . 18628 1 1065 . 1 1 95 95 ASP N N 15 126.124 0.06 . 1 . . 1287 . . 95 ASP N . 18628 1 1066 . 1 1 96 96 THR H H 1 7.487 0.01 . 1 . . 134 . . 96 THR H . 18628 1 1067 . 1 1 96 96 THR HA H 1 4.681 0.010 . 1 . . 1227 . . 96 THR HA . 18628 1 1068 . 1 1 96 96 THR HB H 1 4.477 0.003 . 1 . . 1228 . . 96 THR HB . 18628 1 1069 . 1 1 96 96 THR HG21 H 1 0.932 0.017 . 1 . . 1296 . . 96 THR HG21 . 18628 1 1070 . 1 1 96 96 THR HG22 H 1 0.932 0.017 . 1 . . 1296 . . 96 THR HG22 . 18628 1 1071 . 1 1 96 96 THR HG23 H 1 0.932 0.017 . 1 . . 1296 . . 96 THR HG23 . 18628 1 1072 . 1 1 96 96 THR C C 13 175.717 0.074 . 1 . . 1433 . . 96 THR C . 18628 1 1073 . 1 1 96 96 THR CA C 13 62.007 0.006 . 1 . . 137 . . 96 THR CA . 18628 1 1074 . 1 1 96 96 THR CB C 13 70.126 0.172 . 1 . . 136 . . 96 THR CB . 18628 1 1075 . 1 1 96 96 THR CG2 C 13 20.384 0.064 . 1 . . 1297 . . 96 THR CG2 . 18628 1 1076 . 1 1 96 96 THR N N 15 104.829 0.03 . 1 . . 135 . . 96 THR N . 18628 1 1077 . 1 1 97 97 GLY H H 1 9.532 0.011 . 1 . . 49 . . 97 GLY H . 18628 1 1078 . 1 1 97 97 GLY HA2 H 1 3.925 0.009 . 2 . . 1027 . . 97 GLY HA2 . 18628 1 1079 . 1 1 97 97 GLY HA3 H 1 4.215 0.004 . 2 . . 1026 . . 97 GLY HA3 . 18628 1 1080 . 1 1 97 97 GLY C C 13 171.978 0.074 . 1 . . 1434 . . 97 GLY C . 18628 1 1081 . 1 1 97 97 GLY CA C 13 45.368 0.08 . 1 . . 48 . . 97 GLY CA . 18628 1 1082 . 1 1 97 97 GLY N N 15 114.165 0.038 . 1 . . 50 . . 97 GLY N . 18628 1 1083 . 1 1 98 98 SER H H 1 9.412 0.017 . 1 . . 51 . . 98 SER H . 18628 1 1084 . 1 1 98 98 SER HA H 1 4.239 0.002 . 1 . . 1229 . . 98 SER HA . 18628 1 1085 . 1 1 98 98 SER HB2 H 1 3.917 0.003 . 2 . . 1231 . . 98 SER HB2 . 18628 1 1086 . 1 1 98 98 SER HB3 H 1 4.039 0.006 . 2 . . 1230 . . 98 SER HB3 . 18628 1 1087 . 1 1 98 98 SER C C 13 170.530 0.074 . 1 . . 1435 . . 98 SER C . 18628 1 1088 . 1 1 98 98 SER CA C 13 61.165 0.015 . 1 . . 53 . . 98 SER CA . 18628 1 1089 . 1 1 98 98 SER CB C 13 63.464 0.099 . 1 . . 54 . . 98 SER CB . 18628 1 1090 . 1 1 98 98 SER N N 15 112.014 0.021 . 1 . . 52 . . 98 SER N . 18628 1 1091 . 1 1 99 99 CYS H H 1 8.386 0.015 . 1 . . 55 . . 99 CYS H . 18628 1 1092 . 1 1 99 99 CYS HA H 1 5.058 0.016 . 1 . . 912 . . 99 CYS HA . 18628 1 1093 . 1 1 99 99 CYS HB2 H 1 1.987 0.002 . 2 . . 1300 . . 99 CYS HB2 . 18628 1 1094 . 1 1 99 99 CYS HB3 H 1 3.111 0.006 . 2 . . 913 . . 99 CYS HB3 . 18628 1 1095 . 1 1 99 99 CYS C C 13 174.039 0.074 . 1 . . 1436 . . 99 CYS C . 18628 1 1096 . 1 1 99 99 CYS CA C 13 55.709 0.054 . 1 . . 57 . . 99 CYS CA . 18628 1 1097 . 1 1 99 99 CYS CB C 13 32.938 0.091 . 1 . . 58 . . 99 CYS CB . 18628 1 1098 . 1 1 99 99 CYS N N 15 109.583 0.037 . 1 . . 56 . . 99 CYS N . 18628 1 1099 . 1 1 100 100 GLN H H 1 8.737 0.011 . 1 . . 594 . . 100 GLN H . 18628 1 1100 . 1 1 100 100 GLN HA H 1 4.948 0.006 . 1 . . 1289 . . 100 GLN HA . 18628 1 1101 . 1 1 100 100 GLN HB2 H 1 2.196 0.002 . 2 . . 1290 . . 100 GLN HB2 . 18628 1 1102 . 1 1 100 100 GLN HB3 H 1 2.231 0.002 . 2 . . 1288 . . 100 GLN HB3 . 18628 1 1103 . 1 1 100 100 GLN HG2 H 1 2.003 0.003 . 2 . . 1302 . . 100 GLN HG2 . 18628 1 1104 . 1 1 100 100 GLN HG3 H 1 2.565 0.014 . 2 . . 1301 . . 100 GLN HG3 . 18628 1 1105 . 1 1 100 100 GLN HE21 H 1 7.757 0.009 . 1 . . 1305 . . 100 GLN HE21 . 18628 1 1106 . 1 1 100 100 GLN HE22 H 1 6.202 0.015 . 1 . . 1304 . . 100 GLN HE22 . 18628 1 1107 . 1 1 100 100 GLN C C 13 175.672 0.074 . 1 . . 1437 . . 100 GLN C . 18628 1 1108 . 1 1 100 100 GLN CA C 13 57.554 0.088 . 1 . . 490 . . 100 GLN CA . 18628 1 1109 . 1 1 100 100 GLN CB C 13 32.662 0.058 . 1 . . 595 . . 100 GLN CB . 18628 1 1110 . 1 1 100 100 GLN CG C 13 35.801 0.047 . 1 . . 911 . . 100 GLN CG . 18628 1 1111 . 1 1 100 100 GLN N N 15 125.762 0.037 . 1 . . 593 . . 100 GLN N . 18628 1 1112 . 1 1 100 100 GLN NE2 N 15 112.731 0.091 . 1 . . 1303 . . 100 GLN NE2 . 18628 1 1113 . 1 1 101 101 PHE H H 1 8.508 0.006 . 1 . . 487 . . 101 PHE H . 18628 1 1114 . 1 1 101 101 PHE HA H 1 5.816 0.007 . 1 . . 907 . . 101 PHE HA . 18628 1 1115 . 1 1 101 101 PHE HB2 H 1 3.175 0.01 . 1 . . 909 . . 101 PHE HB2 . 18628 1 1116 . 1 1 101 101 PHE HB3 H 1 3.175 0.01 . 1 . . 908 . . 101 PHE HB3 . 18628 1 1117 . 1 1 101 101 PHE HD1 H 1 7.106 0.006 . 3 . . 1096 . . 101 PHE HD1 . 18628 1 1118 . 1 1 101 101 PHE HD2 H 1 7.106 0.006 . 3 . . 1096 . . 101 PHE HD2 . 18628 1 1119 . 1 1 101 101 PHE C C 13 171.870 0.074 . 1 . . 1438 . . 101 PHE C . 18628 1 1120 . 1 1 101 101 PHE CA C 13 55.213 0.079 . 1 . . 489 . . 101 PHE CA . 18628 1 1121 . 1 1 101 101 PHE CB C 13 42.900 0.123 . 1 . . 491 . . 101 PHE CB . 18628 1 1122 . 1 1 101 101 PHE CD1 C 13 129.990 0.021 . 3 . . 1095 . . 101 PHE CD1 . 18628 1 1123 . 1 1 101 101 PHE CD2 C 13 129.990 0.021 . 3 . . 1095 . . 101 PHE CD2 . 18628 1 1124 . 1 1 101 101 PHE N N 15 118.092 0.026 . 1 . . 488 . . 101 PHE N . 18628 1 1125 . 1 1 102 102 PHE H H 1 9.861 0.015 . 1 . . 596 . . 102 PHE H . 18628 1 1126 . 1 1 102 102 PHE HA H 1 5.840 0.009 . 1 . . 905 . . 102 PHE HA . 18628 1 1127 . 1 1 102 102 PHE HB2 H 1 2.640 0.008 . 2 . . 910 . . 102 PHE HB2 . 18628 1 1128 . 1 1 102 102 PHE HB3 H 1 2.640 0.008 . 2 . . 906 . . 102 PHE HB3 . 18628 1 1129 . 1 1 102 102 PHE HD1 H 1 6.629 0.012 . 3 . . 1094 . . 102 PHE HD1 . 18628 1 1130 . 1 1 102 102 PHE HD2 H 1 6.629 0.012 . 3 . . 1094 . . 102 PHE HD2 . 18628 1 1131 . 1 1 102 102 PHE C C 13 173.023 0.074 . 1 . . 1439 . . 102 PHE C . 18628 1 1132 . 1 1 102 102 PHE CA C 13 54.610 0.097 . 1 . . 252 . . 102 PHE CA . 18628 1 1133 . 1 1 102 102 PHE CB C 13 42.981 0.064 . 1 . . 598 . . 102 PHE CB . 18628 1 1134 . 1 1 102 102 PHE CD1 C 13 130.238 0.046 . 3 . . 1093 . . 102 PHE CD1 . 18628 1 1135 . 1 1 102 102 PHE CD2 C 13 130.238 0.046 . 3 . . 1093 . . 102 PHE CD2 . 18628 1 1136 . 1 1 102 102 PHE N N 15 115.589 0.052 . 1 . . 597 . . 102 PHE N . 18628 1 1137 . 1 1 103 103 ILE H H 1 8.687 0.021 . 1 . . 250 . . 103 ILE H . 18628 1 1138 . 1 1 103 103 ILE HA H 1 5.156 0.013 . 1 . . 650 . . 103 ILE HA . 18628 1 1139 . 1 1 103 103 ILE HB H 1 1.491 0.009 . 1 . . 651 . . 103 ILE HB . 18628 1 1140 . 1 1 103 103 ILE HG12 H 1 0.834 0.009 . 2 . . 655 . . 103 ILE HG12 . 18628 1 1141 . 1 1 103 103 ILE HG13 H 1 1.794 0.005 . 2 . . 654 . . 103 ILE HG13 . 18628 1 1142 . 1 1 103 103 ILE HG21 H 1 0.785 0.004 . 1 . . 653 . . 103 ILE HG21 . 18628 1 1143 . 1 1 103 103 ILE HG22 H 1 0.785 0.004 . 1 . . 653 . . 103 ILE HG22 . 18628 1 1144 . 1 1 103 103 ILE HG23 H 1 0.785 0.004 . 1 . . 653 . . 103 ILE HG23 . 18628 1 1145 . 1 1 103 103 ILE HD11 H 1 0.829 0.007 . 1 . . 652 . . 103 ILE HD11 . 18628 1 1146 . 1 1 103 103 ILE HD12 H 1 0.829 0.007 . 1 . . 652 . . 103 ILE HD12 . 18628 1 1147 . 1 1 103 103 ILE HD13 H 1 0.829 0.007 . 1 . . 652 . . 103 ILE HD13 . 18628 1 1148 . 1 1 103 103 ILE C C 13 176.948 0.074 . 1 . . 1440 . . 103 ILE C . 18628 1 1149 . 1 1 103 103 ILE CA C 13 59.387 0.045 . 1 . . 248 . . 103 ILE CA . 18628 1 1150 . 1 1 103 103 ILE CB C 13 40.967 0.054 . 1 . . 249 . . 103 ILE CB . 18628 1 1151 . 1 1 103 103 ILE CG1 C 13 27.866 0.115 . 1 . . 255 . . 103 ILE CG1 . 18628 1 1152 . 1 1 103 103 ILE CG2 C 13 18.992 0.064 . 1 . . 254 . . 103 ILE CG2 . 18628 1 1153 . 1 1 103 103 ILE CD1 C 13 14.071 0.074 . 1 . . 253 . . 103 ILE CD1 . 18628 1 1154 . 1 1 103 103 ILE N N 15 117.536 0.048 . 1 . . 251 . . 103 ILE N . 18628 1 1155 . 1 1 104 104 VAL H H 1 9.044 0.012 . 1 . . 244 . . 104 VAL H . 18628 1 1156 . 1 1 104 104 VAL HA H 1 4.155 0.008 . 1 . . 656 . . 104 VAL HA . 18628 1 1157 . 1 1 104 104 VAL HB H 1 2.442 0.009 . 1 . . 657 . . 104 VAL HB . 18628 1 1158 . 1 1 104 104 VAL HG11 H 1 0.886 0.011 . 2 . . 659 . . 104 VAL HG11 . 18628 1 1159 . 1 1 104 104 VAL HG12 H 1 0.886 0.011 . 2 . . 659 . . 104 VAL HG12 . 18628 1 1160 . 1 1 104 104 VAL HG13 H 1 0.886 0.011 . 2 . . 659 . . 104 VAL HG13 . 18628 1 1161 . 1 1 104 104 VAL HG21 H 1 1.128 0.014 . 2 . . 658 . . 104 VAL HG21 . 18628 1 1162 . 1 1 104 104 VAL HG22 H 1 1.128 0.014 . 2 . . 658 . . 104 VAL HG22 . 18628 1 1163 . 1 1 104 104 VAL HG23 H 1 1.128 0.014 . 2 . . 658 . . 104 VAL HG23 . 18628 1 1164 . 1 1 104 104 VAL C C 13 176.743 0.074 . 1 . . 1441 . . 104 VAL C . 18628 1 1165 . 1 1 104 104 VAL CA C 13 63.424 0.187 . 1 . . 247 . . 104 VAL CA . 18628 1 1166 . 1 1 104 104 VAL CB C 13 32.673 0.084 . 1 . . 246 . . 104 VAL CB . 18628 1 1167 . 1 1 104 104 VAL CG1 C 13 24.900 0.109 . 2 . . 661 . . 104 VAL CG1 . 18628 1 1168 . 1 1 104 104 VAL CG2 C 13 24.113 0.116 . 2 . . 660 . . 104 VAL CG2 . 18628 1 1169 . 1 1 104 104 VAL N N 15 128.320 0.021 . 1 . . 245 . . 104 VAL N . 18628 1 1170 . 1 1 105 105 HIS H H 1 9.159 0.016 . 1 . . 585 . . 105 HIS H . 18628 1 1171 . 1 1 105 105 HIS HA H 1 4.342 0.012 . 1 . . 662 . . 105 HIS HA . 18628 1 1172 . 1 1 105 105 HIS HB2 H 1 2.766 0.008 . 2 . . 664 . . 105 HIS HB2 . 18628 1 1173 . 1 1 105 105 HIS HB3 H 1 3.102 0.009 . 2 . . 663 . . 105 HIS HB3 . 18628 1 1174 . 1 1 105 105 HIS C C 13 174.267 0.074 . 1 . . 1442 . . 105 HIS C . 18628 1 1175 . 1 1 105 105 HIS CA C 13 58.315 0.057 . 1 . . 588 . . 105 HIS CA . 18628 1 1176 . 1 1 105 105 HIS CB C 13 32.896 0.055 . 1 . . 587 . . 105 HIS CB . 18628 1 1177 . 1 1 105 105 HIS N N 15 127.277 0.016 . 1 . . 586 . . 105 HIS N . 18628 1 1178 . 1 1 106 106 GLU H H 1 7.078 0.016 . 1 . . 589 . . 106 GLU H . 18628 1 1179 . 1 1 106 106 GLU HA H 1 4.885 0.01 . 1 . . 665 . . 106 GLU HA . 18628 1 1180 . 1 1 106 106 GLU HB2 H 1 2.223 0.011 . 2 . . 670 . . 106 GLU HB2 . 18628 1 1181 . 1 1 106 106 GLU HB3 H 1 1.651 0.011 . 2 . . 669 . . 106 GLU HB3 . 18628 1 1182 . 1 1 106 106 GLU HG2 H 1 2.199 0.005 . 2 . . 667 . . 106 GLU HG2 . 18628 1 1183 . 1 1 106 106 GLU HG3 H 1 2.342 0.003 . 2 . . 666 . . 106 GLU HG3 . 18628 1 1184 . 1 1 106 106 GLU CA C 13 52.803 0.104 . 1 . . 592 . . 106 GLU CA . 18628 1 1185 . 1 1 106 106 GLU CB C 13 31.470 0.095 . 1 . . 591 . . 106 GLU CB . 18628 1 1186 . 1 1 106 106 GLU CG C 13 35.936 0.107 . 1 . . 668 . . 106 GLU CG . 18628 1 1187 . 1 1 106 106 GLU N N 15 115.640 0.053 . 1 . . 590 . . 106 GLU N . 18628 1 1188 . 1 1 107 107 PRO HA H 1 4.515 0.008 . 1 . . 1232 . . 107 PRO HA . 18628 1 1189 . 1 1 107 107 PRO HB3 H 1 2.372 0.003 . 1 . . 1125 . . 107 PRO HB3 . 18628 1 1190 . 1 1 107 107 PRO HG2 H 1 2.285 0.01 . 2 . . 1124 . . 107 PRO HG2 . 18628 1 1191 . 1 1 107 107 PRO HG3 H 1 2.078 0.01 . 2 . . 1123 . . 107 PRO HG3 . 18628 1 1192 . 1 1 107 107 PRO HD2 H 1 3.727 0.015 . 2 . . 1122 . . 107 PRO HD2 . 18628 1 1193 . 1 1 107 107 PRO HD3 H 1 3.970 0.011 . 2 . . 1121 . . 107 PRO HD3 . 18628 1 1194 . 1 1 107 107 PRO C C 13 176.278 0.074 . 1 . . 1443 . . 107 PRO C . 18628 1 1195 . 1 1 107 107 PRO CA C 13 64.312 0.125 . 1 . . 485 . . 107 PRO CA . 18628 1 1196 . 1 1 107 107 PRO CB C 13 32.319 0.051 . 1 . . 483 . . 107 PRO CB . 18628 1 1197 . 1 1 107 107 PRO CG C 13 28.492 0.13 . 1 . . 486 . . 107 PRO CG . 18628 1 1198 . 1 1 107 107 PRO CD C 13 49.933 0.061 . 1 . . 1120 . . 107 PRO CD . 18628 1 1199 . 1 1 108 108 GLN H H 1 7.719 0.012 . 1 . . 480 . . 108 GLN H . 18628 1 1200 . 1 1 108 108 GLN HA H 1 5.038 0.01 . 1 . . 671 . . 108 GLN HA . 18628 1 1201 . 1 1 108 108 GLN HB2 H 1 1.716 0.014 . 2 . . 1236 . . 108 GLN HB2 . 18628 1 1202 . 1 1 108 108 GLN HB3 H 1 2.007 0.003 . 2 . . 1235 . . 108 GLN HB3 . 18628 1 1203 . 1 1 108 108 GLN HG2 H 1 2.015 0.014 . 2 . . 1237 . . 108 GLN HG2 . 18628 1 1204 . 1 1 108 108 GLN HG3 H 1 3.263 0.005 . 2 . . 1234 . . 108 GLN HG3 . 18628 1 1205 . 1 1 108 108 GLN HE21 H 1 6.803 0.009 . 1 . . 1240 . . 108 GLN HE21 . 18628 1 1206 . 1 1 108 108 GLN HE22 H 1 6.864 0.008 . 1 . . 1239 . . 108 GLN HE22 . 18628 1 1207 . 1 1 108 108 GLN CA C 13 50.942 0.16 . 1 . . 484 . . 108 GLN CA . 18628 1 1208 . 1 1 108 108 GLN CB C 13 30.061 0.094 . 1 . . 482 . . 108 GLN CB . 18628 1 1209 . 1 1 108 108 GLN CG C 13 31.311 0.079 . 1 . . 1233 . . 108 GLN CG . 18628 1 1210 . 1 1 108 108 GLN N N 15 117.198 0.037 . 1 . . 481 . . 108 GLN N . 18628 1 1211 . 1 1 108 108 GLN NE2 N 15 113.186 0.076 . 1 . . 1238 . . 108 GLN NE2 . 18628 1 1212 . 1 1 109 109 PRO HA H 1 4.618 0.014 . 1 . . 1117 . . 109 PRO HA . 18628 1 1213 . 1 1 109 109 PRO HB2 H 1 2.062 0.006 . 2 . . 1119 . . 109 PRO HB2 . 18628 1 1214 . 1 1 109 109 PRO HB3 H 1 2.417 0.008 . 2 . . 1116 . . 109 PRO HB3 . 18628 1 1215 . 1 1 109 109 PRO HG2 H 1 2.059 0.0 . 2 . . 1307 . . 109 PRO HG2 . 18628 1 1216 . 1 1 109 109 PRO HG3 H 1 2.122 0.0 . 2 . . 1306 . . 109 PRO HG3 . 18628 1 1217 . 1 1 109 109 PRO HD2 H 1 3.963 0.006 . 2 . . 1115 . . 109 PRO HD2 . 18628 1 1218 . 1 1 109 109 PRO HD3 H 1 3.388 0.006 . 2 . . 1114 . . 109 PRO HD3 . 18628 1 1219 . 1 1 109 109 PRO C C 13 178.701 0.074 . 1 . . 1444 . . 109 PRO C . 18628 1 1220 . 1 1 109 109 PRO CA C 13 64.571 0.045 . 1 . . 448 . . 109 PRO CA . 18628 1 1221 . 1 1 109 109 PRO CB C 13 31.719 0.067 . 1 . . 449 . . 109 PRO CB . 18628 1 1222 . 1 1 109 109 PRO CG C 13 27.353 0.05 . 1 . . 1118 . . 109 PRO CG . 18628 1 1223 . 1 1 109 109 PRO CD C 13 50.311 0.091 . 1 . . 1113 . . 109 PRO CD . 18628 1 1224 . 1 1 110 110 HIS H H 1 8.396 0.014 . 1 . . 446 . . 110 HIS H . 18628 1 1225 . 1 1 110 110 HIS HA H 1 4.580 0.004 . 1 . . 1088 . . 110 HIS HA . 18628 1 1226 . 1 1 110 110 HIS HB2 H 1 3.002 0.008 . 2 . . 1090 . . 110 HIS HB2 . 18628 1 1227 . 1 1 110 110 HIS HB3 H 1 3.247 0.011 . 2 . . 1089 . . 110 HIS HB3 . 18628 1 1228 . 1 1 110 110 HIS HD2 H 1 6.936 0.003 . 1 . . 1092 . . 110 HIS HD2 . 18628 1 1229 . 1 1 110 110 HIS C C 13 176.428 0.074 . 1 . . 1445 . . 110 HIS C . 18628 1 1230 . 1 1 110 110 HIS CA C 13 58.226 0.035 . 1 . . 445 . . 110 HIS CA . 18628 1 1231 . 1 1 110 110 HIS CB C 13 29.128 0.051 . 1 . . 444 . . 110 HIS CB . 18628 1 1232 . 1 1 110 110 HIS CD2 C 13 116.243 0.066 . 1 . . 1091 . . 110 HIS CD2 . 18628 1 1233 . 1 1 110 110 HIS N N 15 115.020 0.046 . 1 . . 447 . . 110 HIS N . 18628 1 1234 . 1 1 111 111 LEU H H 1 7.426 0.012 . 1 . . 442 . . 111 LEU H . 18628 1 1235 . 1 1 111 111 LEU HA H 1 4.131 0.006 . 1 . . 1022 . . 111 LEU HA . 18628 1 1236 . 1 1 111 111 LEU HB2 H 1 0.661 0.007 . 2 . . 1025 . . 111 LEU HB2 . 18628 1 1237 . 1 1 111 111 LEU HB3 H 1 0.660 0.008 . 2 . . 1024 . . 111 LEU HB3 . 18628 1 1238 . 1 1 111 111 LEU HG H 1 0.544 0.015 . 1 . . 1309 . . 111 LEU HG . 18628 1 1239 . 1 1 111 111 LEU HD11 H 1 0.374 0.029 . 2 . . 1021 . . 111 LEU HD11 . 18628 1 1240 . 1 1 111 111 LEU HD12 H 1 0.374 0.029 . 2 . . 1021 . . 111 LEU HD12 . 18628 1 1241 . 1 1 111 111 LEU HD13 H 1 0.374 0.029 . 2 . . 1021 . . 111 LEU HD13 . 18628 1 1242 . 1 1 111 111 LEU HD21 H 1 0.515 0.008 . 2 . . 1023 . . 111 LEU HD21 . 18628 1 1243 . 1 1 111 111 LEU HD22 H 1 0.515 0.008 . 2 . . 1023 . . 111 LEU HD22 . 18628 1 1244 . 1 1 111 111 LEU HD23 H 1 0.515 0.008 . 2 . . 1023 . . 111 LEU HD23 . 18628 1 1245 . 1 1 111 111 LEU C C 13 177.879 0.074 . 1 . . 1446 . . 111 LEU C . 18628 1 1246 . 1 1 111 111 LEU CA C 13 54.821 0.103 . 1 . . 396 . . 111 LEU CA . 18628 1 1247 . 1 1 111 111 LEU CB C 13 38.292 0.082 . 1 . . 395 . . 111 LEU CB . 18628 1 1248 . 1 1 111 111 LEU CG C 13 25.975 0.001 . 1 . . 1308 . . 111 LEU CG . 18628 1 1249 . 1 1 111 111 LEU CD1 C 13 25.203 0.016 . 2 . . 1341 . . 111 LEU CD1 . 18628 1 1250 . 1 1 111 111 LEU CD2 C 13 21.170 0.082 . 2 . . 401 . . 111 LEU CD2 . 18628 1 1251 . 1 1 111 111 LEU N N 15 118.937 0.022 . 1 . . 443 . . 111 LEU N . 18628 1 1252 . 1 1 112 112 ASP H H 1 7.544 0.009 . 1 . . 391 . . 112 ASP H . 18628 1 1253 . 1 1 112 112 ASP HA H 1 5.044 0.009 . 1 . . 1087 . . 112 ASP HA . 18628 1 1254 . 1 1 112 112 ASP HB2 H 1 3.051 0.002 . 2 . . 1086 . . 112 ASP HB2 . 18628 1 1255 . 1 1 112 112 ASP HB3 H 1 2.814 0.006 . 2 . . 1085 . . 112 ASP HB3 . 18628 1 1256 . 1 1 112 112 ASP C C 13 177.383 0.074 . 1 . . 1447 . . 112 ASP C . 18628 1 1257 . 1 1 112 112 ASP CA C 13 56.438 0.075 . 1 . . 393 . . 112 ASP CA . 18628 1 1258 . 1 1 112 112 ASP CB C 13 39.186 0.046 . 1 . . 394 . . 112 ASP CB . 18628 1 1259 . 1 1 112 112 ASP N N 15 122.740 0.075 . 1 . . 392 . . 112 ASP N . 18628 1 1260 . 1 1 113 113 GLY H H 1 10.297 0.01 . 1 . . 355 . . 113 GLY H . 18628 1 1261 . 1 1 113 113 GLY HA2 H 1 3.813 0.001 . 2 . . 1084 . . 113 GLY HA2 . 18628 1 1262 . 1 1 113 113 GLY HA3 H 1 4.413 0.007 . 2 . . 1083 . . 113 GLY HA3 . 18628 1 1263 . 1 1 113 113 GLY C C 13 173.357 0.074 . 1 . . 1448 . . 113 GLY C . 18628 1 1264 . 1 1 113 113 GLY CA C 13 45.422 0.082 . 1 . . 357 . . 113 GLY CA . 18628 1 1265 . 1 1 113 113 GLY N N 15 114.616 0.017 . 1 . . 356 . . 113 GLY N . 18628 1 1266 . 1 1 114 114 VAL H H 1 8.193 0.012 . 1 . . 397 . . 114 VAL H . 18628 1 1267 . 1 1 114 114 VAL HA H 1 4.133 0.004 . 1 . . 958 . . 114 VAL HA . 18628 1 1268 . 1 1 114 114 VAL HB H 1 2.133 0.007 . 1 . . 959 . . 114 VAL HB . 18628 1 1269 . 1 1 114 114 VAL HG11 H 1 0.843 0.0 . 2 . . 1317 . . 114 VAL HG11 . 18628 1 1270 . 1 1 114 114 VAL HG12 H 1 0.843 0.0 . 2 . . 1317 . . 114 VAL HG12 . 18628 1 1271 . 1 1 114 114 VAL HG13 H 1 0.843 0.0 . 2 . . 1317 . . 114 VAL HG13 . 18628 1 1272 . 1 1 114 114 VAL HG21 H 1 0.916 0.003 . 2 . . 1315 . . 114 VAL HG21 . 18628 1 1273 . 1 1 114 114 VAL HG22 H 1 0.916 0.003 . 2 . . 1315 . . 114 VAL HG22 . 18628 1 1274 . 1 1 114 114 VAL HG23 H 1 0.916 0.003 . 2 . . 1315 . . 114 VAL HG23 . 18628 1 1275 . 1 1 114 114 VAL C C 13 176.513 0.074 . 1 . . 1449 . . 114 VAL C . 18628 1 1276 . 1 1 114 114 VAL CA C 13 64.016 0.082 . 1 . . 399 . . 114 VAL CA . 18628 1 1277 . 1 1 114 114 VAL CB C 13 34.181 0.06 . 1 . . 400 . . 114 VAL CB . 18628 1 1278 . 1 1 114 114 VAL CG1 C 13 21.690 0.045 . 2 . . 1316 . . 114 VAL CG1 . 18628 1 1279 . 1 1 114 114 VAL CG2 C 13 21.192 0.053 . 2 . . 1314 . . 114 VAL CG2 . 18628 1 1280 . 1 1 114 114 VAL N N 15 118.917 0.019 . 1 . . 398 . . 114 VAL N . 18628 1 1281 . 1 1 115 115 HIS H H 1 7.570 0.011 . 1 . . 450 . . 115 HIS H . 18628 1 1282 . 1 1 115 115 HIS HA H 1 4.786 0.006 . 1 . . 955 . . 115 HIS HA . 18628 1 1283 . 1 1 115 115 HIS HB2 H 1 3.465 0.007 . 2 . . 957 . . 115 HIS HB2 . 18628 1 1284 . 1 1 115 115 HIS HB3 H 1 3.936 0.009 . 2 . . 956 . . 115 HIS HB3 . 18628 1 1285 . 1 1 115 115 HIS HD2 H 1 6.640 0.019 . 1 . . 1311 . . 115 HIS HD2 . 18628 1 1286 . 1 1 115 115 HIS HE1 H 1 8.185 0.009 . 1 . . 1313 . . 115 HIS HE1 . 18628 1 1287 . 1 1 115 115 HIS C C 13 174.704 0.074 . 1 . . 1450 . . 115 HIS C . 18628 1 1288 . 1 1 115 115 HIS CA C 13 55.402 0.026 . 1 . . 452 . . 115 HIS CA . 18628 1 1289 . 1 1 115 115 HIS CB C 13 31.453 0.052 . 1 . . 453 . . 115 HIS CB . 18628 1 1290 . 1 1 115 115 HIS CD2 C 13 125.791 0.042 . 1 . . 1310 . . 115 HIS CD2 . 18628 1 1291 . 1 1 115 115 HIS CE1 C 13 138.724 0.013 . 1 . . 1312 . . 115 HIS CE1 . 18628 1 1292 . 1 1 115 115 HIS N N 15 120.135 0.047 . 1 . . 451 . . 115 HIS N . 18628 1 1293 . 1 1 116 116 THR H H 1 8.576 0.014 . 1 . . 282 . . 116 THR H . 18628 1 1294 . 1 1 116 116 THR HA H 1 3.683 0.006 . 1 . . 954 . . 116 THR HA . 18628 1 1295 . 1 1 116 116 THR HB H 1 4.084 0.004 . 1 . . 952 . . 116 THR HB . 18628 1 1296 . 1 1 116 116 THR HG21 H 1 1.364 0.01 . 1 . . 953 . . 116 THR HG21 . 18628 1 1297 . 1 1 116 116 THR HG22 H 1 1.364 0.01 . 1 . . 953 . . 116 THR HG22 . 18628 1 1298 . 1 1 116 116 THR HG23 H 1 1.364 0.01 . 1 . . 953 . . 116 THR HG23 . 18628 1 1299 . 1 1 116 116 THR C C 13 172.695 0.074 . 1 . . 1451 . . 116 THR C . 18628 1 1300 . 1 1 116 116 THR CA C 13 65.415 0.055 . 1 . . 280 . . 116 THR CA . 18628 1 1301 . 1 1 116 116 THR CB C 13 70.180 0.142 . 1 . . 281 . . 116 THR CB . 18628 1 1302 . 1 1 116 116 THR CG2 C 13 21.001 0.045 . 1 . . 367 . . 116 THR CG2 . 18628 1 1303 . 1 1 116 116 THR N N 15 120.124 0.048 . 1 . . 283 . . 116 THR N . 18628 1 1304 . 1 1 117 117 VAL H H 1 7.736 0.013 . 1 . . 278 . . 117 VAL H . 18628 1 1305 . 1 1 117 117 VAL HA H 1 4.202 0.013 . 1 . . 632 . . 117 VAL HA . 18628 1 1306 . 1 1 117 117 VAL HB H 1 1.693 0.007 . 1 . . 633 . . 117 VAL HB . 18628 1 1307 . 1 1 117 117 VAL HG11 H 1 0.018 0.01 . 2 . . 950 . . 117 VAL HG11 . 18628 1 1308 . 1 1 117 117 VAL HG12 H 1 0.018 0.01 . 2 . . 950 . . 117 VAL HG12 . 18628 1 1309 . 1 1 117 117 VAL HG13 H 1 0.018 0.01 . 2 . . 950 . . 117 VAL HG13 . 18628 1 1310 . 1 1 117 117 VAL HG21 H 1 0.886 0.013 . 2 . . 951 . . 117 VAL HG21 . 18628 1 1311 . 1 1 117 117 VAL HG22 H 1 0.886 0.013 . 2 . . 951 . . 117 VAL HG22 . 18628 1 1312 . 1 1 117 117 VAL HG23 H 1 0.886 0.013 . 2 . . 951 . . 117 VAL HG23 . 18628 1 1313 . 1 1 117 117 VAL C C 13 175.582 0.074 . 1 . . 1452 . . 117 VAL C . 18628 1 1314 . 1 1 117 117 VAL CA C 13 63.020 0.094 . 1 . . 366 . . 117 VAL CA . 18628 1 1315 . 1 1 117 117 VAL CB C 13 31.258 0.061 . 1 . . 365 . . 117 VAL CB . 18628 1 1316 . 1 1 117 117 VAL CG1 C 13 19.642 0.055 . 2 . . 949 . . 117 VAL CG1 . 18628 1 1317 . 1 1 117 117 VAL CG2 C 13 22.486 0.103 . 2 . . 948 . . 117 VAL CG2 . 18628 1 1318 . 1 1 117 117 VAL N N 15 130.547 0.026 . 1 . . 279 . . 117 VAL N . 18628 1 1319 . 1 1 118 118 PHE H H 1 8.482 0.01 . 1 . . 363 . . 118 PHE H . 18628 1 1320 . 1 1 118 118 PHE HA H 1 5.043 0.009 . 1 . . 945 . . 118 PHE HA . 18628 1 1321 . 1 1 118 118 PHE HB2 H 1 3.164 0.009 . 2 . . 947 . . 118 PHE HB2 . 18628 1 1322 . 1 1 118 118 PHE HB3 H 1 2.272 0.014 . 2 . . 946 . . 118 PHE HB3 . 18628 1 1323 . 1 1 118 118 PHE C C 13 172.576 0.074 . 1 . . 1453 . . 118 PHE C . 18628 1 1324 . 1 1 118 118 PHE CA C 13 55.475 0.143 . 1 . . 362 . . 118 PHE CA . 18628 1 1325 . 1 1 118 118 PHE CB C 13 41.573 0.091 . 1 . . 361 . . 118 PHE CB . 18628 1 1326 . 1 1 118 118 PHE N N 15 121.007 0.044 . 1 . . 364 . . 118 PHE N . 18628 1 1327 . 1 1 119 119 GLY H H 1 7.077 0.013 . 1 . . 358 . . 119 GLY H . 18628 1 1328 . 1 1 119 119 GLY HA2 H 1 3.129 0.007 . 2 . . 1254 . . 119 GLY HA2 . 18628 1 1329 . 1 1 119 119 GLY HA3 H 1 3.062 0.005 . 2 . . 1253 . . 119 GLY HA3 . 18628 1 1330 . 1 1 119 119 GLY C C 13 171.226 0.074 . 1 . . 1454 . . 119 GLY C . 18628 1 1331 . 1 1 119 119 GLY CA C 13 45.912 0.065 . 1 . . 360 . . 119 GLY CA . 18628 1 1332 . 1 1 119 119 GLY N N 15 109.279 0.021 . 1 . . 359 . . 119 GLY N . 18628 1 1333 . 1 1 120 120 GLN H H 1 8.652 0.011 . 1 . . 583 . . 120 GLN H . 18628 1 1334 . 1 1 120 120 GLN HA H 1 4.493 0.019 . 1 . . 1081 . . 120 GLN HA . 18628 1 1335 . 1 1 120 120 GLN HB2 H 1 1.864 0.002 . 2 . . 1327 . . 120 GLN HB2 . 18628 1 1336 . 1 1 120 120 GLN HB3 H 1 1.744 0.006 . 2 . . 1326 . . 120 GLN HB3 . 18628 1 1337 . 1 1 120 120 GLN HG2 H 1 2.080 0.010 . 2 . . 1329 . . 120 GLN HG2 . 18628 1 1338 . 1 1 120 120 GLN HG3 H 1 2.322 0.001 . 2 . . 1328 . . 120 GLN HG3 . 18628 1 1339 . 1 1 120 120 GLN HE21 H 1 7.474 0.011 . 1 . . 1252 . . 120 GLN HE21 . 18628 1 1340 . 1 1 120 120 GLN HE22 H 1 7.474 0.011 . 1 . . 1251 . . 120 GLN HE22 . 18628 1 1341 . 1 1 120 120 GLN C C 13 174.162 0.074 . 1 . . 1455 . . 120 GLN C . 18628 1 1342 . 1 1 120 120 GLN CA C 13 54.148 0.068 . 1 . . 582 . . 120 GLN CA . 18628 1 1343 . 1 1 120 120 GLN CB C 13 32.980 0.067 . 1 . . 581 . . 120 GLN CB . 18628 1 1344 . 1 1 120 120 GLN CG C 13 33.264 0.09 . 1 . . 1082 . . 120 GLN CG . 18628 1 1345 . 1 1 120 120 GLN N N 15 120.502 0.032 . 1 . . 584 . . 120 GLN N . 18628 1 1346 . 1 1 120 120 GLN NE2 N 15 112.529 0.014 . 1 . . 1250 . . 120 GLN NE2 . 18628 1 1347 . 1 1 121 121 VAL H H 1 9.265 0.015 . 1 . . 579 . . 121 VAL H . 18628 1 1348 . 1 1 121 121 VAL HA H 1 4.273 0.008 . 1 . . 1078 . . 121 VAL HA . 18628 1 1349 . 1 1 121 121 VAL HB H 1 2.025 0.014 . 1 . . 1077 . . 121 VAL HB . 18628 1 1350 . 1 1 121 121 VAL HG11 H 1 0.939 0.008 . 1 . . 1080 . . 121 VAL HG11 . 18628 1 1351 . 1 1 121 121 VAL HG12 H 1 0.939 0.008 . 1 . . 1080 . . 121 VAL HG12 . 18628 1 1352 . 1 1 121 121 VAL HG13 H 1 0.939 0.008 . 1 . . 1080 . . 121 VAL HG13 . 18628 1 1353 . 1 1 121 121 VAL HG21 H 1 0.939 0.008 . 1 . . 1079 . . 121 VAL HG21 . 18628 1 1354 . 1 1 121 121 VAL HG22 H 1 0.939 0.008 . 1 . . 1079 . . 121 VAL HG22 . 18628 1 1355 . 1 1 121 121 VAL HG23 H 1 0.939 0.008 . 1 . . 1079 . . 121 VAL HG23 . 18628 1 1356 . 1 1 121 121 VAL C C 13 177.079 0.074 . 1 . . 1456 . . 121 VAL C . 18628 1 1357 . 1 1 121 121 VAL CA C 13 64.114 0.079 . 1 . . 40 . . 121 VAL CA . 18628 1 1358 . 1 1 121 121 VAL CB C 13 32.589 0.08 . 1 . . 41 . . 121 VAL CB . 18628 1 1359 . 1 1 121 121 VAL CG2 C 13 22.800 0.053 . 1 . . 224 . . 121 VAL CG2 . 18628 1 1360 . 1 1 121 121 VAL N N 15 128.188 0.013 . 1 . . 580 . . 121 VAL N . 18628 1 1361 . 1 1 122 122 THR H H 1 9.653 0.01 . 1 . . 38 . . 122 THR H . 18628 1 1362 . 1 1 122 122 THR HA H 1 4.448 0.006 . 1 . . 1020 . . 122 THR HA . 18628 1 1363 . 1 1 122 122 THR HB H 1 4.296 0.012 . 1 . . 1018 . . 122 THR HB . 18628 1 1364 . 1 1 122 122 THR HG21 H 1 1.191 0.016 . 1 . . 1019 . . 122 THR HG21 . 18628 1 1365 . 1 1 122 122 THR HG22 H 1 1.191 0.016 . 1 . . 1019 . . 122 THR HG22 . 18628 1 1366 . 1 1 122 122 THR HG23 H 1 1.191 0.016 . 1 . . 1019 . . 122 THR HG23 . 18628 1 1367 . 1 1 122 122 THR C C 13 175.320 0.074 . 1 . . 1457 . . 122 THR C . 18628 1 1368 . 1 1 122 122 THR CA C 13 62.371 0.067 . 1 . . 28 . . 122 THR CA . 18628 1 1369 . 1 1 122 122 THR CB C 13 69.041 0.073 . 1 . . 34 . . 122 THR CB . 18628 1 1370 . 1 1 122 122 THR CG2 C 13 22.011 0.039 . 1 . . 225 . . 122 THR CG2 . 18628 1 1371 . 1 1 122 122 THR N N 15 121.864 0.015 . 1 . . 39 . . 122 THR N . 18628 1 1372 . 1 1 123 123 SER H H 1 7.807 0.007 . 1 . . 26 . . 123 SER H . 18628 1 1373 . 1 1 123 123 SER HA H 1 4.709 0.015 . 1 . . 1015 . . 123 SER HA . 18628 1 1374 . 1 1 123 123 SER HB2 H 1 3.828 0.019 . 2 . . 1017 . . 123 SER HB2 . 18628 1 1375 . 1 1 123 123 SER HB3 H 1 3.934 0.009 . 2 . . 1016 . . 123 SER HB3 . 18628 1 1376 . 1 1 123 123 SER C C 13 173.270 0.074 . 1 . . 1458 . . 123 SER C . 18628 1 1377 . 1 1 123 123 SER CA C 13 59.042 0.078 . 1 . . 25 . . 123 SER CA . 18628 1 1378 . 1 1 123 123 SER CB C 13 64.521 0.032 . 1 . . 31 . . 123 SER CB . 18628 1 1379 . 1 1 123 123 SER N N 15 117.194 0.036 . 1 . . 27 . . 123 SER N . 18628 1 1380 . 1 1 124 124 GLY H H 1 8.690 0.015 . 1 . . 29 . . 124 GLY H . 18628 1 1381 . 1 1 124 124 GLY HA2 H 1 4.042 0.021 . 2 . . 1330 . . 124 GLY HA2 . 18628 1 1382 . 1 1 124 124 GLY HA3 H 1 4.801 0.027 . 2 . . 1075 . . 124 GLY HA3 . 18628 1 1383 . 1 1 124 124 GLY C C 13 177.069 0.074 . 1 . . 1459 . . 124 GLY C . 18628 1 1384 . 1 1 124 124 GLY CA C 13 45.880 0.051 . 1 . . 30 . . 124 GLY CA . 18628 1 1385 . 1 1 124 124 GLY N N 15 110.129 0.045 . 1 . . 1076 . . 124 GLY N . 18628 1 1386 . 1 1 125 125 MET H H 1 8.910 0.006 . 1 . . 467 . . 125 MET H . 18628 1 1387 . 1 1 125 125 MET HA H 1 4.577 0.008 . 1 . . 1331 . . 125 MET HA . 18628 1 1388 . 1 1 125 125 MET HB2 H 1 2.130 0.015 . 2 . . 1248 . . 125 MET HB2 . 18628 1 1389 . 1 1 125 125 MET HB3 H 1 1.896 0.013 . 2 . . 1245 . . 125 MET HB3 . 18628 1 1390 . 1 1 125 125 MET HG2 H 1 2.414 0.007 . 2 . . 1247 . . 125 MET HG2 . 18628 1 1391 . 1 1 125 125 MET HG3 H 1 2.611 0.007 . 2 . . 1246 . . 125 MET HG3 . 18628 1 1392 . 1 1 125 125 MET HE1 H 1 1.927 0.009 . 1 . . 1265 . . 125 MET HE1 . 18628 1 1393 . 1 1 125 125 MET HE2 H 1 1.927 0.009 . 1 . . 1265 . . 125 MET HE2 . 18628 1 1394 . 1 1 125 125 MET HE3 H 1 1.927 0.009 . 1 . . 1265 . . 125 MET HE3 . 18628 1 1395 . 1 1 125 125 MET C C 13 178.576 0.074 . 1 . . 1460 . . 125 MET C . 18628 1 1396 . 1 1 125 125 MET CA C 13 55.913 0.058 . 1 . . 463 . . 125 MET CA . 18628 1 1397 . 1 1 125 125 MET CB C 13 29.019 0.07 . 1 . . 462 . . 125 MET CB . 18628 1 1398 . 1 1 125 125 MET CG C 13 32.716 0.052 . 1 . . 466 . . 125 MET CG . 18628 1 1399 . 1 1 125 125 MET CE C 13 15.612 0.087 . 1 . . 1264 . . 125 MET CE . 18628 1 1400 . 1 1 125 125 MET N N 15 120.599 0.046 . 1 . . 468 . . 125 MET N . 18628 1 1401 . 1 1 126 126 ASP H H 1 9.055 0.013 . 1 . . 460 . . 126 ASP H . 18628 1 1402 . 1 1 126 126 ASP HA H 1 4.270 0.012 . 1 . . 942 . . 126 ASP HA . 18628 1 1403 . 1 1 126 126 ASP HB2 H 1 2.552 0.002 . 2 . . 944 . . 126 ASP HB2 . 18628 1 1404 . 1 1 126 126 ASP HB3 H 1 2.657 0.005 . 2 . . 943 . . 126 ASP HB3 . 18628 1 1405 . 1 1 126 126 ASP C C 13 178.301 0.074 . 1 . . 1461 . . 126 ASP C . 18628 1 1406 . 1 1 126 126 ASP CA C 13 57.075 0.077 . 1 . . 459 . . 126 ASP CA . 18628 1 1407 . 1 1 126 126 ASP CB C 13 39.090 0.075 . 1 . . 458 . . 126 ASP CB . 18628 1 1408 . 1 1 126 126 ASP N N 15 117.633 0.085 . 1 . . 461 . . 126 ASP N . 18628 1 1409 . 1 1 127 127 VAL H H 1 7.354 0.023 . 1 . . 454 . . 127 VAL H . 18628 1 1410 . 1 1 127 127 VAL HA H 1 3.413 0.014 . 1 . . 938 . . 127 VAL HA . 18628 1 1411 . 1 1 127 127 VAL HB H 1 2.375 0.006 . 1 . . 939 . . 127 VAL HB . 18628 1 1412 . 1 1 127 127 VAL HG11 H 1 0.923 0.009 . 2 . . 941 . . 127 VAL HG11 . 18628 1 1413 . 1 1 127 127 VAL HG12 H 1 0.923 0.009 . 2 . . 941 . . 127 VAL HG12 . 18628 1 1414 . 1 1 127 127 VAL HG13 H 1 0.923 0.009 . 2 . . 941 . . 127 VAL HG13 . 18628 1 1415 . 1 1 127 127 VAL HG21 H 1 0.780 0.007 . 2 . . 940 . . 127 VAL HG21 . 18628 1 1416 . 1 1 127 127 VAL HG22 H 1 0.780 0.007 . 2 . . 940 . . 127 VAL HG22 . 18628 1 1417 . 1 1 127 127 VAL HG23 H 1 0.780 0.007 . 2 . . 940 . . 127 VAL HG23 . 18628 1 1418 . 1 1 127 127 VAL C C 13 178.473 0.074 . 1 . . 1462 . . 127 VAL C . 18628 1 1419 . 1 1 127 127 VAL CA C 13 65.073 0.327 . 1 . . 456 . . 127 VAL CA . 18628 1 1420 . 1 1 127 127 VAL CB C 13 31.501 0.096 . 1 . . 457 . . 127 VAL CB . 18628 1 1421 . 1 1 127 127 VAL CG1 C 13 21.522 0.074 . 2 . . 1334 . . 127 VAL CG1 . 18628 1 1422 . 1 1 127 127 VAL CG2 C 13 21.096 0.062 . 2 . . 1333 . . 127 VAL CG2 . 18628 1 1423 . 1 1 127 127 VAL N N 15 122.194 0.03 . 1 . . 455 . . 127 VAL N . 18628 1 1424 . 1 1 128 128 VAL H H 1 7.179 0.01 . 1 . . 464 . . 128 VAL H . 18628 1 1425 . 1 1 128 128 VAL HA H 1 3.221 0.004 . 1 . . 934 . . 128 VAL HA . 18628 1 1426 . 1 1 128 128 VAL HB H 1 2.273 0.009 . 1 . . 935 . . 128 VAL HB . 18628 1 1427 . 1 1 128 128 VAL HG11 H 1 1.014 0.013 . 2 . . 936 . . 128 VAL HG11 . 18628 1 1428 . 1 1 128 128 VAL HG12 H 1 1.014 0.013 . 2 . . 936 . . 128 VAL HG12 . 18628 1 1429 . 1 1 128 128 VAL HG13 H 1 1.014 0.013 . 2 . . 936 . . 128 VAL HG13 . 18628 1 1430 . 1 1 128 128 VAL HG21 H 1 0.430 0.009 . 2 . . 937 . . 128 VAL HG21 . 18628 1 1431 . 1 1 128 128 VAL HG22 H 1 0.430 0.009 . 2 . . 937 . . 128 VAL HG22 . 18628 1 1432 . 1 1 128 128 VAL HG23 H 1 0.430 0.009 . 2 . . 937 . . 128 VAL HG23 . 18628 1 1433 . 1 1 128 128 VAL C C 13 177.156 0.074 . 1 . . 1463 . . 128 VAL C . 18628 1 1434 . 1 1 128 128 VAL CA C 13 66.293 0.13 . 1 . . 88 . . 128 VAL CA . 18628 1 1435 . 1 1 128 128 VAL CB C 13 31.621 0.076 . 1 . . 287 . . 128 VAL CB . 18628 1 1436 . 1 1 128 128 VAL CG1 C 13 20.974 0.092 . 2 . . 289 . . 128 VAL CG1 . 18628 1 1437 . 1 1 128 128 VAL CG2 C 13 23.161 0.06 . 2 . . 288 . . 128 VAL CG2 . 18628 1 1438 . 1 1 128 128 VAL N N 15 118.502 0.068 . 1 . . 465 . . 128 VAL N . 18628 1 1439 . 1 1 129 129 ARG H H 1 7.943 0.015 . 1 . . 84 . . 129 ARG H . 18628 1 1440 . 1 1 129 129 ARG HA H 1 3.394 0.013 . 1 . . 927 . . 129 ARG HA . 18628 1 1441 . 1 1 129 129 ARG HB2 H 1 1.671 0.001 . 2 . . 929 . . 129 ARG HB2 . 18628 1 1442 . 1 1 129 129 ARG HB3 H 1 1.802 0.005 . 2 . . 928 . . 129 ARG HB3 . 18628 1 1443 . 1 1 129 129 ARG HG2 H 1 1.166 0.009 . 2 . . 931 . . 129 ARG HG2 . 18628 1 1444 . 1 1 129 129 ARG HG3 H 1 1.595 0.01 . 2 . . 930 . . 129 ARG HG3 . 18628 1 1445 . 1 1 129 129 ARG HD2 H 1 3.112 0.003 . 2 . . 933 . . 129 ARG HD2 . 18628 1 1446 . 1 1 129 129 ARG HD3 H 1 2.980 0.003 . 2 . . 932 . . 129 ARG HD3 . 18628 1 1447 . 1 1 129 129 ARG C C 13 177.715 0.074 . 1 . . 1464 . . 129 ARG C . 18628 1 1448 . 1 1 129 129 ARG CA C 13 58.597 0.124 . 1 . . 87 . . 129 ARG CA . 18628 1 1449 . 1 1 129 129 ARG CB C 13 30.699 0.107 . 1 . . 86 . . 129 ARG CB . 18628 1 1450 . 1 1 129 129 ARG CG C 13 29.238 0.093 . 1 . . 285 . . 129 ARG CG . 18628 1 1451 . 1 1 129 129 ARG CD C 13 43.104 0.054 . 1 . . 284 . . 129 ARG CD . 18628 1 1452 . 1 1 129 129 ARG N N 15 112.797 0.028 . 1 . . 85 . . 129 ARG N . 18628 1 1453 . 1 1 130 130 THR H H 1 7.184 0.008 . 1 . . 82 . . 130 THR H . 18628 1 1454 . 1 1 130 130 THR HA H 1 4.441 0.005 . 1 . . 925 . . 130 THR HA . 18628 1 1455 . 1 1 130 130 THR HB H 1 4.466 0.008 . 1 . . 924 . . 130 THR HB . 18628 1 1456 . 1 1 130 130 THR HG21 H 1 1.199 0.008 . 1 . . 926 . . 130 THR HG21 . 18628 1 1457 . 1 1 130 130 THR HG22 H 1 1.199 0.008 . 1 . . 926 . . 130 THR HG22 . 18628 1 1458 . 1 1 130 130 THR HG23 H 1 1.199 0.008 . 1 . . 926 . . 130 THR HG23 . 18628 1 1459 . 1 1 130 130 THR C C 13 174.328 0.074 . 1 . . 1465 . . 130 THR C . 18628 1 1460 . 1 1 130 130 THR CA C 13 61.023 0.058 . 1 . . 80 . . 130 THR CA . 18628 1 1461 . 1 1 130 130 THR CB C 13 69.576 0.104 . 1 . . 81 . . 130 THR CB . 18628 1 1462 . 1 1 130 130 THR CG2 C 13 21.473 0.128 . 1 . . 286 . . 130 THR CG2 . 18628 1 1463 . 1 1 130 130 THR N N 15 105.944 0.032 . 1 . . 83 . . 130 THR N . 18628 1 1464 . 1 1 131 131 MET H H 1 6.896 0.013 . 1 . . 77 . . 131 MET H . 18628 1 1465 . 1 1 131 131 MET HA H 1 4.216 0.006 . 1 . . 921 . . 131 MET HA . 18628 1 1466 . 1 1 131 131 MET HB2 H 1 1.944 0.001 . 2 . . 1336 . . 131 MET HB2 . 18628 1 1467 . 1 1 131 131 MET HB3 H 1 1.984 0.004 . 2 . . 1335 . . 131 MET HB3 . 18628 1 1468 . 1 1 131 131 MET HG2 H 1 2.666 0.011 . 2 . . 923 . . 131 MET HG2 . 18628 1 1469 . 1 1 131 131 MET HG3 H 1 2.905 0.009 . 2 . . 922 . . 131 MET HG3 . 18628 1 1470 . 1 1 131 131 MET C C 13 173.509 0.074 . 1 . . 1466 . . 131 MET C . 18628 1 1471 . 1 1 131 131 MET CA C 13 57.137 0.12 . 1 . . 479 . . 131 MET CA . 18628 1 1472 . 1 1 131 131 MET CB C 13 35.391 0.061 . 1 . . 79 . . 131 MET CB . 18628 1 1473 . 1 1 131 131 MET CG C 13 31.772 0.077 . 1 . . 532 . . 131 MET CG . 18628 1 1474 . 1 1 131 131 MET N N 15 122.811 0.029 . 1 . . 78 . . 131 MET N . 18628 1 1475 . 1 1 132 132 LYS H H 1 8.572 0.016 . 1 . . 530 . . 132 LYS H . 18628 1 1476 . 1 1 132 132 LYS HA H 1 4.592 0.008 . 1 . . 920 . . 132 LYS HA . 18628 1 1477 . 1 1 132 132 LYS HB2 H 1 1.789 0.014 . 2 . . 1338 . . 132 LYS HB2 . 18628 1 1478 . 1 1 132 132 LYS HB3 H 1 1.762 0.002 . 2 . . 1337 . . 132 LYS HB3 . 18628 1 1479 . 1 1 132 132 LYS HG2 H 1 1.517 0.008 . 2 . . 1069 . . 132 LYS HG2 . 18628 1 1480 . 1 1 132 132 LYS HG3 H 1 1.417 0.008 . 2 . . 1068 . . 132 LYS HG3 . 18628 1 1481 . 1 1 132 132 LYS HD2 H 1 1.718 0.006 . 1 . . 1074 . . 132 LYS HD2 . 18628 1 1482 . 1 1 132 132 LYS HD3 H 1 1.718 0.006 . 1 . . 1073 . . 132 LYS HD3 . 18628 1 1483 . 1 1 132 132 LYS HE2 H 1 3.061 0.015 . 2 . . 1071 . . 132 LYS HE2 . 18628 1 1484 . 1 1 132 132 LYS HE3 H 1 3.063 0.014 . 2 . . 1070 . . 132 LYS HE3 . 18628 1 1485 . 1 1 132 132 LYS C C 13 175.295 0.074 . 1 . . 1467 . . 132 LYS C . 18628 1 1486 . 1 1 132 132 LYS CA C 13 53.990 0.022 . 1 . . 527 . . 132 LYS CA . 18628 1 1487 . 1 1 132 132 LYS CB C 13 35.592 0.055 . 1 . . 526 . . 132 LYS CB . 18628 1 1488 . 1 1 132 132 LYS CG C 13 24.166 0.105 . 1 . . 528 . . 132 LYS CG . 18628 1 1489 . 1 1 132 132 LYS CD C 13 28.938 0.052 . 1 . . 529 . . 132 LYS CD . 18628 1 1490 . 1 1 132 132 LYS CE C 13 42.342 0.059 . 1 . . 1072 . . 132 LYS CE . 18628 1 1491 . 1 1 132 132 LYS N N 15 120.224 0.011 . 1 . . 531 . . 132 LYS N . 18628 1 1492 . 1 1 133 133 ASN H H 1 8.392 0.008 . 1 . . 524 . . 133 ASN H . 18628 1 1493 . 1 1 133 133 ASN HA H 1 4.275 0.007 . 1 . . 1266 . . 133 ASN HA . 18628 1 1494 . 1 1 133 133 ASN HB2 H 1 2.725 0.008 . 1 . . 919 . . 133 ASN HB2 . 18628 1 1495 . 1 1 133 133 ASN HB3 H 1 2.725 0.008 . 1 . . 1267 . . 133 ASN HB3 . 18628 1 1496 . 1 1 133 133 ASN HD21 H 1 7.472 0.006 . 1 . . 1164 . . 133 ASN HD21 . 18628 1 1497 . 1 1 133 133 ASN HD22 H 1 6.962 0.026 . 1 . . 1163 . . 133 ASN HD22 . 18628 1 1498 . 1 1 133 133 ASN C C 13 177.592 0.074 . 1 . . 1468 . . 133 ASN C . 18628 1 1499 . 1 1 133 133 ASN CA C 13 54.916 0.082 . 1 . . 107 . . 133 ASN CA . 18628 1 1500 . 1 1 133 133 ASN CB C 13 37.906 0.072 . 1 . . 106 . . 133 ASN CB . 18628 1 1501 . 1 1 133 133 ASN N N 15 118.092 0.04 . 1 . . 525 . . 133 ASN N . 18628 1 1502 . 1 1 133 133 ASN ND2 N 15 109.565 0.043 . 1 . . 1162 . . 133 ASN ND2 . 18628 1 1503 . 1 1 134 134 GLY H H 1 9.491 0.012 . 1 . . 103 . . 134 GLY H . 18628 1 1504 . 1 1 134 134 GLY HA2 H 1 4.467 0.006 . 2 . . 918 . . 134 GLY HA2 . 18628 1 1505 . 1 1 134 134 GLY HA3 H 1 3.551 0.004 . 2 . . 917 . . 134 GLY HA3 . 18628 1 1506 . 1 1 134 134 GLY C C 13 173.887 0.074 . 1 . . 1469 . . 134 GLY C . 18628 1 1507 . 1 1 134 134 GLY CA C 13 44.738 0.087 . 1 . . 105 . . 134 GLY CA . 18628 1 1508 . 1 1 134 134 GLY N N 15 112.632 0.014 . 1 . . 104 . . 134 GLY N . 18628 1 1509 . 1 1 135 135 ASP H H 1 8.068 0.012 . 1 . . 419 . . 135 ASP H . 18628 1 1510 . 1 1 135 135 ASP HA H 1 4.633 0.005 . 1 . . 914 . . 135 ASP HA . 18628 1 1511 . 1 1 135 135 ASP HB2 H 1 2.567 0.001 . 2 . . 916 . . 135 ASP HB2 . 18628 1 1512 . 1 1 135 135 ASP HB3 H 1 2.778 0.015 . 2 . . 915 . . 135 ASP HB3 . 18628 1 1513 . 1 1 135 135 ASP C C 13 176.361 0.074 . 1 . . 1470 . . 135 ASP C . 18628 1 1514 . 1 1 135 135 ASP CA C 13 56.224 0.057 . 1 . . 422 . . 135 ASP CA . 18628 1 1515 . 1 1 135 135 ASP CB C 13 41.039 0.043 . 1 . . 421 . . 135 ASP CB . 18628 1 1516 . 1 1 135 135 ASP N N 15 122.896 0.019 . 1 . . 420 . . 135 ASP N . 18628 1 1517 . 1 1 136 136 VAL H H 1 8.295 0.013 . 1 . . 423 . . 136 VAL H . 18628 1 1518 . 1 1 136 136 VAL HA H 1 3.964 0.007 . 1 . . 672 . . 136 VAL HA . 18628 1 1519 . 1 1 136 136 VAL HB H 1 1.891 0.014 . 1 . . 673 . . 136 VAL HB . 18628 1 1520 . 1 1 136 136 VAL HG11 H 1 0.779 0.014 . 2 . . 677 . . 136 VAL HG11 . 18628 1 1521 . 1 1 136 136 VAL HG12 H 1 0.779 0.014 . 2 . . 677 . . 136 VAL HG12 . 18628 1 1522 . 1 1 136 136 VAL HG13 H 1 0.779 0.014 . 2 . . 677 . . 136 VAL HG13 . 18628 1 1523 . 1 1 136 136 VAL HG21 H 1 1.051 0.015 . 2 . . 675 . . 136 VAL HG21 . 18628 1 1524 . 1 1 136 136 VAL HG22 H 1 1.051 0.015 . 2 . . 675 . . 136 VAL HG22 . 18628 1 1525 . 1 1 136 136 VAL HG23 H 1 1.051 0.015 . 2 . . 675 . . 136 VAL HG23 . 18628 1 1526 . 1 1 136 136 VAL C C 13 176.685 0.074 . 1 . . 1471 . . 136 VAL C . 18628 1 1527 . 1 1 136 136 VAL CA C 13 63.111 0.07 . 1 . . 425 . . 136 VAL CA . 18628 1 1528 . 1 1 136 136 VAL CB C 13 34.830 0.049 . 1 . . 426 . . 136 VAL CB . 18628 1 1529 . 1 1 136 136 VAL CG1 C 13 21.247 0.111 . 2 . . 676 . . 136 VAL CG1 . 18628 1 1530 . 1 1 136 136 VAL CG2 C 13 22.457 0.094 . 2 . . 674 . . 136 VAL CG2 . 18628 1 1531 . 1 1 136 136 VAL N N 15 122.441 0.038 . 1 . . 424 . . 136 VAL N . 18628 1 1532 . 1 1 137 137 MET H H 1 9.313 0.014 . 1 . . 427 . . 137 MET H . 18628 1 1533 . 1 1 137 137 MET HA H 1 4.716 0.012 . 1 . . 678 . . 137 MET HA . 18628 1 1534 . 1 1 137 137 MET HB2 H 1 1.538 0.012 . 2 . . 680 . . 137 MET HB2 . 18628 1 1535 . 1 1 137 137 MET HB3 H 1 2.588 0.008 . 2 . . 679 . . 137 MET HB3 . 18628 1 1536 . 1 1 137 137 MET HG2 H 1 2.321 0.005 . 2 . . 682 . . 137 MET HG2 . 18628 1 1537 . 1 1 137 137 MET HG3 H 1 2.648 0.005 . 2 . . 681 . . 137 MET HG3 . 18628 1 1538 . 1 1 137 137 MET HE1 H 1 1.439 0.004 . 1 . . 1340 . . 137 MET HE1 . 18628 1 1539 . 1 1 137 137 MET HE2 H 1 1.439 0.004 . 1 . . 1340 . . 137 MET HE2 . 18628 1 1540 . 1 1 137 137 MET HE3 H 1 1.439 0.004 . 1 . . 1340 . . 137 MET HE3 . 18628 1 1541 . 1 1 137 137 MET C C 13 174.348 0.074 . 1 . . 1472 . . 137 MET C . 18628 1 1542 . 1 1 137 137 MET CA C 13 55.827 0.008 . 1 . . 429 . . 137 MET CA . 18628 1 1543 . 1 1 137 137 MET CB C 13 34.775 0.098 . 1 . . 430 . . 137 MET CB . 18628 1 1544 . 1 1 137 137 MET CG C 13 33.516 0.094 . 1 . . 537 . . 137 MET CG . 18628 1 1545 . 1 1 137 137 MET CE C 13 17.548 0.019 . 1 . . 1339 . . 137 MET CE . 18628 1 1546 . 1 1 137 137 MET N N 15 126.333 0.037 . 1 . . 428 . . 137 MET N . 18628 1 1547 . 1 1 138 138 LYS H H 1 9.462 0.016 . 1 . . 533 . . 138 LYS H . 18628 1 1548 . 1 1 138 138 LYS HA H 1 4.259 0.008 . 1 . . 683 . . 138 LYS HA . 18628 1 1549 . 1 1 138 138 LYS HB2 H 1 1.477 0.004 . 2 . . 685 . . 138 LYS HB2 . 18628 1 1550 . 1 1 138 138 LYS HB3 H 1 1.684 0.003 . 2 . . 684 . . 138 LYS HB3 . 18628 1 1551 . 1 1 138 138 LYS HG2 H 1 1.488 0.003 . 2 . . 687 . . 138 LYS HG2 . 18628 1 1552 . 1 1 138 138 LYS HG3 H 1 1.330 0.009 . 2 . . 686 . . 138 LYS HG3 . 18628 1 1553 . 1 1 138 138 LYS HD2 H 1 1.723 0.004 . 1 . . 689 . . 138 LYS HD2 . 18628 1 1554 . 1 1 138 138 LYS HD3 H 1 1.723 0.004 . 1 . . 688 . . 138 LYS HD3 . 18628 1 1555 . 1 1 138 138 LYS HE2 H 1 3.004 0.008 . 2 . . 692 . . 138 LYS HE2 . 18628 1 1556 . 1 1 138 138 LYS HE3 H 1 3.028 0.034 . 2 . . 691 . . 138 LYS HE3 . 18628 1 1557 . 1 1 138 138 LYS C C 13 176.977 0.074 . 1 . . 1473 . . 138 LYS C . 18628 1 1558 . 1 1 138 138 LYS CA C 13 57.792 0.078 . 1 . . 535 . . 138 LYS CA . 18628 1 1559 . 1 1 138 138 LYS CB C 13 34.003 0.082 . 1 . . 536 . . 138 LYS CB . 18628 1 1560 . 1 1 138 138 LYS CG C 13 24.597 0.051 . 1 . . 542 . . 138 LYS CG . 18628 1 1561 . 1 1 138 138 LYS CD C 13 29.384 0.064 . 1 . . 543 . . 138 LYS CD . 18628 1 1562 . 1 1 138 138 LYS CE C 13 41.919 0.243 . 1 . . 690 . . 138 LYS CE . 18628 1 1563 . 1 1 138 138 LYS N N 15 127.910 0.01 . 1 . . 534 . . 138 LYS N . 18628 1 1564 . 1 1 139 139 GLU H H 1 7.965 0.01 . 1 . . 538 . . 139 GLU H . 18628 1 1565 . 1 1 139 139 GLU HA H 1 4.599 0.017 . 1 . . 693 . . 139 GLU HA . 18628 1 1566 . 1 1 139 139 GLU HB2 H 1 1.971 0.007 . 2 . . 695 . . 139 GLU HB2 . 18628 1 1567 . 1 1 139 139 GLU HB3 H 1 2.097 0.01 . 2 . . 694 . . 139 GLU HB3 . 18628 1 1568 . 1 1 139 139 GLU HG2 H 1 2.090 0.001 . 2 . . 1269 . . 139 GLU HG2 . 18628 1 1569 . 1 1 139 139 GLU HG3 H 1 2.233 0.007 . 2 . . 1268 . . 139 GLU HG3 . 18628 1 1570 . 1 1 139 139 GLU C C 13 173.463 0.074 . 1 . . 1474 . . 139 GLU C . 18628 1 1571 . 1 1 139 139 GLU CA C 13 55.626 0.102 . 1 . . 540 . . 139 GLU CA . 18628 1 1572 . 1 1 139 139 GLU CB C 13 34.690 0.015 . 1 . . 541 . . 139 GLU CB . 18628 1 1573 . 1 1 139 139 GLU CG C 13 37.121 0.064 . 1 . . 548 . . 139 GLU CG . 18628 1 1574 . 1 1 139 139 GLU N N 15 115.396 0.019 . 1 . . 539 . . 139 GLU N . 18628 1 1575 . 1 1 140 140 VAL H H 1 7.855 0.013 . 1 . . 544 . . 140 VAL H . 18628 1 1576 . 1 1 140 140 VAL HA H 1 4.956 0.017 . 1 . . 696 . . 140 VAL HA . 18628 1 1577 . 1 1 140 140 VAL HB H 1 2.201 0.008 . 1 . . 697 . . 140 VAL HB . 18628 1 1578 . 1 1 140 140 VAL HG11 H 1 0.821 0.005 . 2 . . 1014 . . 140 VAL HG11 . 18628 1 1579 . 1 1 140 140 VAL HG12 H 1 0.821 0.005 . 2 . . 1014 . . 140 VAL HG12 . 18628 1 1580 . 1 1 140 140 VAL HG13 H 1 0.821 0.005 . 2 . . 1014 . . 140 VAL HG13 . 18628 1 1581 . 1 1 140 140 VAL HG21 H 1 1.041 0.005 . 2 . . 1013 . . 140 VAL HG21 . 18628 1 1582 . 1 1 140 140 VAL HG22 H 1 1.041 0.005 . 2 . . 1013 . . 140 VAL HG22 . 18628 1 1583 . 1 1 140 140 VAL HG23 H 1 1.041 0.005 . 2 . . 1013 . . 140 VAL HG23 . 18628 1 1584 . 1 1 140 140 VAL C C 13 173.826 0.074 . 1 . . 1475 . . 140 VAL C . 18628 1 1585 . 1 1 140 140 VAL CA C 13 61.551 0.117 . 1 . . 546 . . 140 VAL CA . 18628 1 1586 . 1 1 140 140 VAL CB C 13 34.098 0.094 . 1 . . 547 . . 140 VAL CB . 18628 1 1587 . 1 1 140 140 VAL CG1 C 13 21.046 0.086 . 2 . . 553 . . 140 VAL CG1 . 18628 1 1588 . 1 1 140 140 VAL CG2 C 13 23.924 0.061 . 2 . . 554 . . 140 VAL CG2 . 18628 1 1589 . 1 1 140 140 VAL N N 15 125.323 0.049 . 1 . . 545 . . 140 VAL N . 18628 1 1590 . 1 1 141 141 LYS H H 1 8.056 0.018 . 1 . . 549 . . 141 LYS H . 18628 1 1591 . 1 1 141 141 LYS HA H 1 4.658 0.006 . 1 . . 1061 . . 141 LYS HA . 18628 1 1592 . 1 1 141 141 LYS HB2 H 1 1.089 0.007 . 2 . . 1062 . . 141 LYS HB2 . 18628 1 1593 . 1 1 141 141 LYS HB3 H 1 1.089 0.007 . 2 . . 698 . . 141 LYS HB3 . 18628 1 1594 . 1 1 141 141 LYS HG2 H 1 1.297 0.0 . 2 . . 1066 . . 141 LYS HG2 . 18628 1 1595 . 1 1 141 141 LYS HG3 H 1 1.181 0.010 . 2 . . 1065 . . 141 LYS HG3 . 18628 1 1596 . 1 1 141 141 LYS HD2 H 1 1.722 0.007 . 2 . . 700 . . 141 LYS HD2 . 18628 1 1597 . 1 1 141 141 LYS HD3 H 1 1.722 0.007 . 2 . . 699 . . 141 LYS HD3 . 18628 1 1598 . 1 1 141 141 LYS HE2 H 1 2.933 0.012 . 1 . . 1064 . . 141 LYS HE2 . 18628 1 1599 . 1 1 141 141 LYS HE3 H 1 2.933 0.012 . 1 . . 1063 . . 141 LYS HE3 . 18628 1 1600 . 1 1 141 141 LYS C C 13 174.035 0.074 . 1 . . 1476 . . 141 LYS C . 18628 1 1601 . 1 1 141 141 LYS CA C 13 54.584 0.099 . 1 . . 551 . . 141 LYS CA . 18628 1 1602 . 1 1 141 141 LYS CB C 13 37.512 0.047 . 1 . . 552 . . 141 LYS CB . 18628 1 1603 . 1 1 141 141 LYS CG C 13 25.019 0.074 . 1 . . 559 . . 141 LYS CG . 18628 1 1604 . 1 1 141 141 LYS CD C 13 28.959 0.123 . 1 . . 560 . . 141 LYS CD . 18628 1 1605 . 1 1 141 141 LYS CE C 13 42.442 0.12 . 1 . . 1067 . . 141 LYS CE . 18628 1 1606 . 1 1 141 141 LYS N N 15 124.963 0.014 . 1 . . 550 . . 141 LYS N . 18628 1 1607 . 1 1 142 142 VAL H H 1 8.601 0.012 . 1 . . 556 . . 142 VAL H . 18628 1 1608 . 1 1 142 142 VAL HA H 1 4.681 0.013 . 1 . . 701 . . 142 VAL HA . 18628 1 1609 . 1 1 142 142 VAL HB H 1 1.783 0.007 . 1 . . 702 . . 142 VAL HB . 18628 1 1610 . 1 1 142 142 VAL HG11 H 1 0.897 0.01 . 2 . . 703 . . 142 VAL HG11 . 18628 1 1611 . 1 1 142 142 VAL HG12 H 1 0.897 0.01 . 2 . . 703 . . 142 VAL HG12 . 18628 1 1612 . 1 1 142 142 VAL HG13 H 1 0.897 0.01 . 2 . . 703 . . 142 VAL HG13 . 18628 1 1613 . 1 1 142 142 VAL HG21 H 1 0.931 0.01 . 2 . . 704 . . 142 VAL HG21 . 18628 1 1614 . 1 1 142 142 VAL HG22 H 1 0.931 0.01 . 2 . . 704 . . 142 VAL HG22 . 18628 1 1615 . 1 1 142 142 VAL HG23 H 1 0.931 0.01 . 2 . . 704 . . 142 VAL HG23 . 18628 1 1616 . 1 1 142 142 VAL C C 13 174.496 0.074 . 1 . . 1477 . . 142 VAL C . 18628 1 1617 . 1 1 142 142 VAL CA C 13 61.091 0.078 . 1 . . 558 . . 142 VAL CA . 18628 1 1618 . 1 1 142 142 VAL CB C 13 35.659 0.053 . 1 . . 557 . . 142 VAL CB . 18628 1 1619 . 1 1 142 142 VAL CG1 C 13 22.004 0.148 . 2 . . 565 . . 142 VAL CG1 . 18628 1 1620 . 1 1 142 142 VAL CG2 C 13 23.068 0.064 . 2 . . 566 . . 142 VAL CG2 . 18628 1 1621 . 1 1 142 142 VAL N N 15 122.039 0.049 . 1 . . 555 . . 142 VAL N . 18628 1 1622 . 1 1 143 143 PHE H H 1 9.158 0.013 . 1 . . 561 . . 143 PHE H . 18628 1 1623 . 1 1 143 143 PHE HA H 1 5.028 0.012 . 1 . . 1010 . . 143 PHE HA . 18628 1 1624 . 1 1 143 143 PHE HB2 H 1 3.084 0.007 . 2 . . 1012 . . 143 PHE HB2 . 18628 1 1625 . 1 1 143 143 PHE HB3 H 1 3.083 0.007 . 2 . . 1011 . . 143 PHE HB3 . 18628 1 1626 . 1 1 143 143 PHE HD1 H 1 6.870 0.004 . 3 . . 1110 . . 143 PHE HD1 . 18628 1 1627 . 1 1 143 143 PHE HD2 H 1 6.870 0.004 . 3 . . 1110 . . 143 PHE HD2 . 18628 1 1628 . 1 1 143 143 PHE C C 13 172.845 0.074 . 1 . . 1478 . . 143 PHE C . 18628 1 1629 . 1 1 143 143 PHE CA C 13 55.788 0.125 . 1 . . 564 . . 143 PHE CA . 18628 1 1630 . 1 1 143 143 PHE CB C 13 40.992 0.065 . 1 . . 563 . . 143 PHE CB . 18628 1 1631 . 1 1 143 143 PHE CD1 C 13 130.501 0.033 . 3 . . 1109 . . 143 PHE CD1 . 18628 1 1632 . 1 1 143 143 PHE CD2 C 13 130.501 0.033 . 3 . . 1109 . . 143 PHE CD2 . 18628 1 1633 . 1 1 143 143 PHE N N 15 125.618 0.019 . 1 . . 562 . . 143 PHE N . 18628 1 1634 . 1 1 144 144 ASP H H 1 8.442 0.007 . 1 . . 567 . . 144 ASP H . 18628 1 1635 . 1 1 144 144 ASP HA H 1 5.338 0.01 . 1 . . 1007 . . 144 ASP HA . 18628 1 1636 . 1 1 144 144 ASP HB2 H 1 2.637 0.010 . 2 . . 1009 . . 144 ASP HB2 . 18628 1 1637 . 1 1 144 144 ASP HB3 H 1 2.526 0.004 . 2 . . 1008 . . 144 ASP HB3 . 18628 1 1638 . 1 1 144 144 ASP C C 13 176.372 0.074 . 1 . . 1479 . . 144 ASP C . 18628 1 1639 . 1 1 144 144 ASP CA C 13 53.562 0.052 . 1 . . 569 . . 144 ASP CA . 18628 1 1640 . 1 1 144 144 ASP CB C 13 42.622 0.051 . 1 . . 570 . . 144 ASP CB . 18628 1 1641 . 1 1 144 144 ASP N N 15 119.323 0.027 . 1 . . 568 . . 144 ASP N . 18628 1 1642 . 1 1 145 145 GLU H H 1 8.689 0.016 . 1 . . 571 . . 145 GLU H . 18628 1 1643 . 1 1 145 145 GLU HA H 1 4.872 0.017 . 1 . . 631 . . 145 GLU HA . 18628 1 1644 . 1 1 145 145 GLU HB2 H 1 2.134 0.02 . 2 . . 1057 . . 145 GLU HB2 . 18628 1 1645 . 1 1 145 145 GLU HB3 H 1 1.895 0.006 . 2 . . 1056 . . 145 GLU HB3 . 18628 1 1646 . 1 1 145 145 GLU HG2 H 1 2.323 0.009 . 1 . . 1059 . . 145 GLU HG2 . 18628 1 1647 . 1 1 145 145 GLU HG3 H 1 2.323 0.009 . 1 . . 1058 . . 145 GLU HG3 . 18628 1 1648 . 1 1 145 145 GLU CA C 13 53.905 0.074 . 1 . . 573 . . 145 GLU CA . 18628 1 1649 . 1 1 145 145 GLU CB C 13 32.174 0.119 . 1 . . 574 . . 145 GLU CB . 18628 1 1650 . 1 1 145 145 GLU CG C 13 36.290 0.014 . 1 . . 1060 . . 145 GLU CG . 18628 1 1651 . 1 1 145 145 GLU N N 15 124.030 0.023 . 1 . . 572 . . 145 GLU N . 18628 1 stop_ save_