################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone assignment of DUSP22' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1_RT _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1_DSS _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' . . . 50156 1 2 '3D HN(COCA)CB' . . . 50156 1 3 '3D HNCACB' . . . 50156 1 4 '3D HNCA' . . . 50156 1 5 '3D HN(CO)CA' . . . 50156 1 6 '3D HNCO' . . . 50156 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1_TOPSPIN . . 50156 1 2 $software_2_NMRPipe . . 50156 1 3 $software_3_SPARKY . . 50156 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.604 0.001 . 1 . . . . . 1 Met H . 50156 1 2 . 1 . 1 3 3 MET C C 13 176.757 0.000 . 1 . . . . . 1 Met CO . 50156 1 3 . 1 . 1 3 3 MET CA C 13 55.523 0.014 . 1 . . . . . 1 Met CA . 50156 1 4 . 1 . 1 3 3 MET CB C 13 32.347 0.000 . 1 . . . . . 1 Met CB . 50156 1 5 . 1 . 1 3 3 MET N N 15 120.331 0.069 . 1 . . . . . 1 Met N . 50156 1 6 . 1 . 1 4 4 GLY H H 1 8.364 0.004 . 1 . . . . . 2 Gly H . 50156 1 7 . 1 . 1 4 4 GLY CA C 13 45.252 0.019 . 1 . . . . . 2 Gly CA . 50156 1 8 . 1 . 1 4 4 GLY N N 15 110.147 0.280 . 1 . . . . . 2 Gly N . 50156 1 9 . 1 . 1 5 5 ASN H H 1 8.434 0.005 . 1 . . . . . 3 Asn H . 50156 1 10 . 1 . 1 5 5 ASN C C 13 175.198 0.000 . 1 . . . . . 3 Asn CO . 50156 1 11 . 1 . 1 5 5 ASN CA C 13 53.303 0.026 . 1 . . . . . 3 Asn CA . 50156 1 12 . 1 . 1 5 5 ASN N N 15 119.182 0.008 . 1 . . . . . 3 Asn N . 50156 1 13 . 1 . 1 6 6 GLY H H 1 8.793 0.003 . 1 . . . . . 4 Gly H . 50156 1 14 . 1 . 1 6 6 GLY C C 13 173.239 0.000 . 1 . . . . . 4 Gly CO . 50156 1 15 . 1 . 1 6 6 GLY CA C 13 44.633 0.006 . 1 . . . . . 4 Gly CA . 50156 1 16 . 1 . 1 6 6 GLY N N 15 112.471 0.234 . 1 . . . . . 4 Gly N . 50156 1 17 . 1 . 1 7 7 MET H H 1 8.512 0.003 . 1 . . . . . 5 Met H . 50156 1 18 . 1 . 1 7 7 MET C C 13 175.545 0.000 . 1 . . . . . 5 Met CO . 50156 1 19 . 1 . 1 7 7 MET CA C 13 55.999 0.010 . 1 . . . . . 5 Met CA . 50156 1 20 . 1 . 1 7 7 MET CB C 13 32.906 0.007 . 1 . . . . . 5 Met CB . 50156 1 21 . 1 . 1 7 7 MET N N 15 119.220 0.247 . 1 . . . . . 5 Met N . 50156 1 22 . 1 . 1 8 8 ASN H H 1 9.110 0.004 . 1 . . . . . 6 Asn H . 50156 1 23 . 1 . 1 8 8 ASN C C 13 173.848 0.000 . 1 . . . . . 6 Asn CO . 50156 1 24 . 1 . 1 8 8 ASN CA C 13 53.262 0.009 . 1 . . . . . 6 Asn CA . 50156 1 25 . 1 . 1 8 8 ASN CB C 13 44.098 0.021 . 1 . . . . . 6 Asn CB . 50156 1 26 . 1 . 1 8 8 ASN N N 15 118.865 0.280 . 1 . . . . . 6 Asn N . 50156 1 27 . 1 . 1 9 9 LYS H H 1 8.865 0.003 . 1 . . . . . 7 Lys H . 50156 1 28 . 1 . 1 9 9 LYS C C 13 175.497 0.000 . 1 . . . . . 7 Lys CO . 50156 1 29 . 1 . 1 9 9 LYS CA C 13 57.071 0.020 . 1 . . . . . 7 Lys CA . 50156 1 30 . 1 . 1 9 9 LYS CB C 13 31.974 0.026 . 1 . . . . . 7 Lys CB . 50156 1 31 . 1 . 1 9 9 LYS N N 15 125.965 0.293 . 1 . . . . . 7 Lys N . 50156 1 32 . 1 . 1 10 10 ILE H H 1 9.237 0.003 . 1 . . . . . 8 Ile H . 50156 1 33 . 1 . 1 10 10 ILE CA C 13 59.630 0.024 . 1 . . . . . 8 Ile CA . 50156 1 34 . 1 . 1 10 10 ILE CB C 13 37.146 0.032 . 1 . . . . . 8 Ile CB . 50156 1 35 . 1 . 1 10 10 ILE N N 15 127.906 0.308 . 1 . . . . . 8 Ile N . 50156 1 36 . 1 . 1 11 11 LEU H H 1 7.713 0.002 . 1 . . . . . 9 Leu H . 50156 1 37 . 1 . 1 11 11 LEU CA C 13 51.864 0.000 . 1 . . . . . 9 Leu CA . 50156 1 38 . 1 . 1 11 11 LEU CB C 13 43.781 0.000 . 1 . . . . . 9 Leu CB . 50156 1 39 . 1 . 1 11 11 LEU N N 15 117.774 0.298 . 1 . . . . . 9 Leu N . 50156 1 40 . 1 . 1 12 12 PRO C C 13 178.164 0.000 . 1 . . . . . 10 Pro CO . 50156 1 41 . 1 . 1 12 12 PRO CA C 13 65.035 0.009 . 1 . . . . . 10 Pro CA . 50156 1 42 . 1 . 1 12 12 PRO CB C 13 30.486 0.014 . 1 . . . . . 10 Pro CB . 50156 1 43 . 1 . 1 13 13 GLY H H 1 9.083 0.004 . 1 . . . . . 11 Gly H . 50156 1 44 . 1 . 1 13 13 GLY C C 13 172.417 0.000 . 1 . . . . . 11 Gly CO . 50156 1 45 . 1 . 1 13 13 GLY CA C 13 46.118 0.007 . 1 . . . . . 11 Gly CA . 50156 1 46 . 1 . 1 13 13 GLY N N 15 114.719 0.302 . 1 . . . . . 11 Gly N . 50156 1 47 . 1 . 1 14 14 LEU H H 1 8.372 0.002 . 1 . . . . . 12 Leu H . 50156 1 48 . 1 . 1 14 14 LEU C C 13 172.739 0.000 . 1 . . . . . 12 Leu CO . 50156 1 49 . 1 . 1 14 14 LEU CA C 13 54.209 0.014 . 1 . . . . . 12 Leu CA . 50156 1 50 . 1 . 1 14 14 LEU CB C 13 45.636 0.046 . 1 . . . . . 12 Leu CB . 50156 1 51 . 1 . 1 14 14 LEU N N 15 122.248 0.288 . 1 . . . . . 12 Leu N . 50156 1 52 . 1 . 1 15 15 TYR H H 1 9.236 0.004 . 1 . . . . . 13 Tyr H . 50156 1 53 . 1 . 1 15 15 TYR C C 13 175.183 0.000 . 1 . . . . . 13 Tyr CO . 50156 1 54 . 1 . 1 15 15 TYR CA C 13 56.248 0.011 . 1 . . . . . 13 Tyr CA . 50156 1 55 . 1 . 1 15 15 TYR CB C 13 43.235 0.015 . 1 . . . . . 13 Tyr CB . 50156 1 56 . 1 . 1 15 15 TYR N N 15 127.136 0.246 . 1 . . . . . 13 Tyr N . 50156 1 57 . 1 . 1 16 16 ILE H H 1 8.569 0.002 . 1 . . . . . 14 Ile H . 50156 1 58 . 1 . 1 16 16 ILE C C 13 175.035 0.000 . 1 . . . . . 14 Ile CO . 50156 1 59 . 1 . 1 16 16 ILE CA C 13 59.772 0.012 . 1 . . . . . 14 Ile CA . 50156 1 60 . 1 . 1 16 16 ILE CB C 13 42.677 0.070 . 1 . . . . . 14 Ile CB . 50156 1 61 . 1 . 1 16 16 ILE N N 15 118.422 0.275 . 1 . . . . . 14 Ile N . 50156 1 62 . 1 . 1 17 17 GLY H H 1 7.508 0.004 . 1 . . . . . 15 Gly H . 50156 1 63 . 1 . 1 17 17 GLY C C 13 170.265 0.000 . 1 . . . . . 15 Gly CO . 50156 1 64 . 1 . 1 17 17 GLY CA C 13 44.416 0.003 . 1 . . . . . 15 Gly CA . 50156 1 65 . 1 . 1 17 17 GLY N N 15 112.849 0.317 . 1 . . . . . 15 Gly N . 50156 1 66 . 1 . 1 18 18 ASN H H 1 9.526 0.003 . 1 . . . . . 16 Asn H . 50156 1 67 . 1 . 1 18 18 ASN C C 13 175.713 0.000 . 1 . . . . . 16 Asn CO . 50156 1 68 . 1 . 1 18 18 ASN CA C 13 50.202 0.002 . 1 . . . . . 16 Asn CA . 50156 1 69 . 1 . 1 18 18 ASN CB C 13 39.531 0.057 . 1 . . . . . 16 Asn CB . 50156 1 70 . 1 . 1 18 18 ASN N N 15 117.674 0.288 . 1 . . . . . 16 Asn N . 50156 1 71 . 1 . 1 19 19 PHE H H 1 7.748 0.003 . 1 . . . . . 17 Phe H . 50156 1 72 . 1 . 1 19 19 PHE CA C 13 60.522 0.025 . 1 . . . . . 17 Phe CA . 50156 1 73 . 1 . 1 19 19 PHE N N 15 115.705 0.307 . 1 . . . . . 17 Phe N . 50156 1 74 . 1 . 1 20 20 LYS H H 1 7.452 0.000 . 1 . . . . . 18 Lys H . 50156 1 75 . 1 . 1 20 20 LYS C C 13 180.377 0.000 . 1 . . . . . 18 Lys CO . 50156 1 76 . 1 . 1 20 20 LYS CA C 13 59.079 0.004 . 1 . . . . . 18 Lys CA . 50156 1 77 . 1 . 1 20 20 LYS CB C 13 31.017 0.021 . 1 . . . . . 18 Lys CB . 50156 1 78 . 1 . 1 20 20 LYS N N 15 120.569 0.043 . 1 . . . . . 18 Lys N . 50156 1 79 . 1 . 1 21 21 ASP H H 1 8.465 0.004 . 1 . . . . . 19 Asp H . 50156 1 80 . 1 . 1 21 21 ASP C C 13 177.090 0.000 . 1 . . . . . 19 Asp CO . 50156 1 81 . 1 . 1 21 21 ASP CA C 13 57.788 0.011 . 1 . . . . . 19 Asp CA . 50156 1 82 . 1 . 1 21 21 ASP CB C 13 40.652 0.022 . 1 . . . . . 19 Asp CB . 50156 1 83 . 1 . 1 21 21 ASP N N 15 123.039 0.266 . 1 . . . . . 19 Asp N . 50156 1 84 . 1 . 1 22 22 ALA H H 1 6.729 0.002 . 1 . . . . . 20 Ala H . 50156 1 85 . 1 . 1 22 22 ALA C C 13 175.676 0.000 . 1 . . . . . 20 Ala CO . 50156 1 86 . 1 . 1 22 22 ALA CA C 13 52.689 0.006 . 1 . . . . . 20 Ala CA . 50156 1 87 . 1 . 1 22 22 ALA CB C 13 17.834 0.004 . 1 . . . . . 20 Ala CB . 50156 1 88 . 1 . 1 22 22 ALA N N 15 114.359 0.298 . 1 . . . . . 20 Ala N . 50156 1 89 . 1 . 1 23 23 ARG H H 1 6.939 0.003 . 1 . . . . . 21 Arg H . 50156 1 90 . 1 . 1 23 23 ARG C C 13 174.830 0.000 . 1 . . . . . 21 Arg CO . 50156 1 91 . 1 . 1 23 23 ARG CA C 13 54.026 0.005 . 1 . . . . . 21 Arg CA . 50156 1 92 . 1 . 1 23 23 ARG CB C 13 30.253 0.057 . 1 . . . . . 21 Arg CB . 50156 1 93 . 1 . 1 23 23 ARG N N 15 112.837 0.291 . 1 . . . . . 21 Arg N . 50156 1 94 . 1 . 1 24 24 ASP H H 1 7.113 0.003 . 1 . . . . . 22 Asp H . 50156 1 95 . 1 . 1 24 24 ASP C C 13 174.836 0.000 . 1 . . . . . 22 Asp CO . 50156 1 96 . 1 . 1 24 24 ASP CA C 13 52.598 0.007 . 1 . . . . . 22 Asp CA . 50156 1 97 . 1 . 1 24 24 ASP CB C 13 40.113 0.009 . 1 . . . . . 22 Asp CB . 50156 1 98 . 1 . 1 24 24 ASP N N 15 121.605 0.263 . 1 . . . . . 22 Asp N . 50156 1 99 . 1 . 1 25 25 ALA H H 1 8.445 0.004 . 1 . . . . . 23 Ala H . 50156 1 100 . 1 . 1 25 25 ALA C C 13 180.057 0.000 . 1 . . . . . 23 Ala CO . 50156 1 101 . 1 . 1 25 25 ALA CA C 13 55.364 0.006 . 1 . . . . . 23 Ala CA . 50156 1 102 . 1 . 1 25 25 ALA CB C 13 18.205 0.008 . 1 . . . . . 23 Ala CB . 50156 1 103 . 1 . 1 25 25 ALA N N 15 127.959 0.281 . 1 . . . . . 23 Ala N . 50156 1 104 . 1 . 1 26 26 GLU H H 1 8.183 0.003 . 1 . . . . . 24 Glu H . 50156 1 105 . 1 . 1 26 26 GLU C C 13 179.119 0.000 . 1 . . . . . 24 Glu CO . 50156 1 106 . 1 . 1 26 26 GLU CA C 13 59.538 0.006 . 1 . . . . . 24 Glu CA . 50156 1 107 . 1 . 1 26 26 GLU CB C 13 28.815 0.030 . 1 . . . . . 24 Glu CB . 50156 1 108 . 1 . 1 26 26 GLU N N 15 118.011 0.300 . 1 . . . . . 24 Glu N . 50156 1 109 . 1 . 1 27 27 GLN H H 1 7.422 0.002 . 1 . . . . . 25 Gln H . 50156 1 110 . 1 . 1 27 27 GLN C C 13 178.791 0.000 . 1 . . . . . 25 Gln CO . 50156 1 111 . 1 . 1 27 27 GLN CA C 13 59.442 0.013 . 1 . . . . . 25 Gln CA . 50156 1 112 . 1 . 1 27 27 GLN CB C 13 30.472 0.013 . 1 . . . . . 25 Gln CB . 50156 1 113 . 1 . 1 27 27 GLN N N 15 119.145 0.325 . 1 . . . . . 25 Gln N . 50156 1 114 . 1 . 1 28 28 LEU H H 1 8.321 0.003 . 1 . . . . . 26 Leu H . 50156 1 115 . 1 . 1 28 28 LEU C C 13 179.042 0.000 . 1 . . . . . 26 Leu CO . 50156 1 116 . 1 . 1 28 28 LEU CA C 13 58.401 0.007 . 1 . . . . . 26 Leu CA . 50156 1 117 . 1 . 1 28 28 LEU CB C 13 40.519 0.030 . 1 . . . . . 26 Leu CB . 50156 1 118 . 1 . 1 28 28 LEU N N 15 118.468 0.277 . 1 . . . . . 26 Leu N . 50156 1 119 . 1 . 1 29 29 SER H H 1 7.841 0.002 . 1 . . . . . 27 Ser H . 50156 1 120 . 1 . 1 29 29 SER C C 13 178.898 0.000 . 1 . . . . . 27 Ser CO . 50156 1 121 . 1 . 1 29 29 SER CA C 13 60.991 0.017 . 1 . . . . . 27 Ser CA . 50156 1 122 . 1 . 1 29 29 SER CB C 13 62.372 0.011 . 1 . . . . . 27 Ser CB . 50156 1 123 . 1 . 1 29 29 SER N N 15 112.337 0.273 . 1 . . . . . 27 Ser N . 50156 1 124 . 1 . 1 30 30 LYS H H 1 8.084 0.003 . 1 . . . . . 28 Lys H . 50156 1 125 . 1 . 1 30 30 LYS C C 13 177.805 0.000 . 1 . . . . . 28 Lys CO . 50156 1 126 . 1 . 1 30 30 LYS CA C 13 59.360 0.007 . 1 . . . . . 28 Lys CA . 50156 1 127 . 1 . 1 30 30 LYS CB C 13 31.784 0.015 . 1 . . . . . 28 Lys CB . 50156 1 128 . 1 . 1 30 30 LYS N N 15 123.191 0.302 . 1 . . . . . 28 Lys N . 50156 1 129 . 1 . 1 31 31 ASN H H 1 7.405 0.003 . 1 . . . . . 29 Asn H . 50156 1 130 . 1 . 1 31 31 ASN C C 13 172.798 0.000 . 1 . . . . . 29 Asn CO . 50156 1 131 . 1 . 1 31 31 ASN CA C 13 52.860 0.008 . 1 . . . . . 29 Asn CA . 50156 1 132 . 1 . 1 31 31 ASN CB C 13 38.120 0.022 . 1 . . . . . 29 Asn CB . 50156 1 133 . 1 . 1 31 31 ASN N N 15 113.958 0.299 . 1 . . . . . 29 Asn N . 50156 1 134 . 1 . 1 32 32 LYS H H 1 7.652 0.002 . 1 . . . . . 30 Lys H . 50156 1 135 . 1 . 1 32 32 LYS C C 13 175.433 0.000 . 1 . . . . . 30 Lys CO . 50156 1 136 . 1 . 1 32 32 LYS CA C 13 56.748 0.040 . 1 . . . . . 30 Lys CA . 50156 1 137 . 1 . 1 32 32 LYS CB C 13 28.824 0.046 . 1 . . . . . 30 Lys CB . 50156 1 138 . 1 . 1 32 32 LYS N N 15 118.207 0.292 . 1 . . . . . 30 Lys N . 50156 1 139 . 1 . 1 33 33 VAL H H 1 8.243 0.003 . 1 . . . . . 31 Val H . 50156 1 140 . 1 . 1 33 33 VAL C C 13 176.309 0.000 . 1 . . . . . 31 Val CO . 50156 1 141 . 1 . 1 33 33 VAL CA C 13 62.821 0.005 . 1 . . . . . 31 Val CA . 50156 1 142 . 1 . 1 33 33 VAL CB C 13 30.835 0.041 . 1 . . . . . 31 Val CB . 50156 1 143 . 1 . 1 33 33 VAL N N 15 118.811 0.261 . 1 . . . . . 31 Val N . 50156 1 144 . 1 . 1 34 34 THR H H 1 8.262 0.004 . 1 . . . . . 32 Thr H . 50156 1 145 . 1 . 1 34 34 THR C C 13 174.270 0.000 . 1 . . . . . 32 Thr CO . 50156 1 146 . 1 . 1 34 34 THR CA C 13 60.623 0.006 . 1 . . . . . 32 Thr CA . 50156 1 147 . 1 . 1 34 34 THR CB C 13 70.163 0.020 . 1 . . . . . 32 Thr CB . 50156 1 148 . 1 . 1 34 34 THR N N 15 115.528 0.313 . 1 . . . . . 32 Thr N . 50156 1 149 . 1 . 1 35 35 HIS H H 1 7.867 0.002 . 1 . . . . . 33 His H . 50156 1 150 . 1 . 1 35 35 HIS C C 13 173.150 0.000 . 1 . . . . . 33 His CO . 50156 1 151 . 1 . 1 35 35 HIS CA C 13 54.626 0.003 . 1 . . . . . 33 His CA . 50156 1 152 . 1 . 1 35 35 HIS CB C 13 31.982 0.015 . 1 . . . . . 33 His CB . 50156 1 153 . 1 . 1 35 35 HIS N N 15 124.073 0.318 . 1 . . . . . 33 His N . 50156 1 154 . 1 . 1 36 36 ILE H H 1 9.153 0.003 . 1 . . . . . 34 Ile H . 50156 1 155 . 1 . 1 36 36 ILE C C 13 172.545 0.000 . 1 . . . . . 34 Ile CO . 50156 1 156 . 1 . 1 36 36 ILE CA C 13 60.503 0.008 . 1 . . . . . 34 Ile CA . 50156 1 157 . 1 . 1 36 36 ILE CB C 13 40.574 0.022 . 1 . . . . . 34 Ile CB . 50156 1 158 . 1 . 1 36 36 ILE N N 15 122.046 0.287 . 1 . . . . . 34 Ile N . 50156 1 159 . 1 . 1 37 37 LEU H H 1 9.563 0.003 . 1 . . . . . 35 Leu H . 50156 1 160 . 1 . 1 37 37 LEU CA C 13 53.758 0.000 . 1 . . . . . 35 Leu CA . 50156 1 161 . 1 . 1 37 37 LEU CB C 13 43.790 0.000 . 1 . . . . . 35 Leu CB . 50156 1 162 . 1 . 1 37 37 LEU N N 15 132.802 0.261 . 1 . . . . . 35 Leu N . 50156 1 163 . 1 . 1 46 46 MET C C 13 175.467 0.000 . 1 . . . . . 44 Met CO . 50156 1 164 . 1 . 1 46 46 MET CA C 13 56.020 0.020 . 1 . . . . . 44 Met CA . 50156 1 165 . 1 . 1 46 46 MET CB C 13 33.909 0.037 . 1 . . . . . 44 Met CB . 50156 1 166 . 1 . 1 47 47 LEU H H 1 8.235 0.003 . 1 . . . . . 45 Leu H . 50156 1 167 . 1 . 1 47 47 LEU C C 13 177.272 0.000 . 1 . . . . . 45 Leu CO . 50156 1 168 . 1 . 1 47 47 LEU CA C 13 54.482 0.004 . 1 . . . . . 45 Leu CA . 50156 1 169 . 1 . 1 47 47 LEU CB C 13 42.960 0.058 . 1 . . . . . 45 Leu CB . 50156 1 170 . 1 . 1 47 47 LEU N N 15 121.630 0.246 . 1 . . . . . 45 Leu N . 50156 1 171 . 1 . 1 48 48 GLU H H 1 8.584 0.004 . 1 . . . . . 46 Glu H . 50156 1 172 . 1 . 1 48 48 GLU C C 13 177.638 0.000 . 1 . . . . . 46 Glu CO . 50156 1 173 . 1 . 1 48 48 GLU CA C 13 56.843 0.012 . 1 . . . . . 46 Glu CA . 50156 1 174 . 1 . 1 48 48 GLU CB C 13 29.743 0.016 . 1 . . . . . 46 Glu CB . 50156 1 175 . 1 . 1 48 48 GLU N N 15 122.385 0.298 . 1 . . . . . 46 Glu N . 50156 1 176 . 1 . 1 49 49 GLY H H 1 8.849 0.005 . 1 . . . . . 47 Gly H . 50156 1 177 . 1 . 1 49 49 GLY C C 13 173.634 0.000 . 1 . . . . . 47 Gly CO . 50156 1 178 . 1 . 1 49 49 GLY CA C 13 45.833 0.012 . 1 . . . . . 47 Gly CA . 50156 1 179 . 1 . 1 49 49 GLY N N 15 110.293 0.278 . 1 . . . . . 47 Gly N . 50156 1 180 . 1 . 1 50 50 VAL H H 1 7.061 0.002 . 1 . . . . . 48 Val H . 50156 1 181 . 1 . 1 50 50 VAL C C 13 174.434 0.000 . 1 . . . . . 48 Val CO . 50156 1 182 . 1 . 1 50 50 VAL CA C 13 60.705 0.009 . 1 . . . . . 48 Val CA . 50156 1 183 . 1 . 1 50 50 VAL CB C 13 33.983 0.018 . 1 . . . . . 48 Val CB . 50156 1 184 . 1 . 1 50 50 VAL N N 15 118.634 0.261 . 1 . . . . . 48 Val N . 50156 1 185 . 1 . 1 51 51 LYS H H 1 7.742 0.002 . 1 . . . . . 49 Lys H . 50156 1 186 . 1 . 1 51 51 LYS C C 13 175.079 0.000 . 1 . . . . . 49 Lys CO . 50156 1 187 . 1 . 1 51 51 LYS CA C 13 55.579 0.010 . 1 . . . . . 49 Lys CA . 50156 1 188 . 1 . 1 51 51 LYS CB C 13 32.475 0.009 . 1 . . . . . 49 Lys CB . 50156 1 189 . 1 . 1 51 51 LYS N N 15 126.151 0.277 . 1 . . . . . 49 Lys N . 50156 1 190 . 1 . 1 52 52 TYR H H 1 8.843 0.003 . 1 . . . . . 50 Tyr H . 50156 1 191 . 1 . 1 52 52 TYR C C 13 177.154 0.000 . 1 . . . . . 50 Tyr CO . 50156 1 192 . 1 . 1 52 52 TYR CA C 13 57.902 0.010 . 1 . . . . . 50 Tyr CA . 50156 1 193 . 1 . 1 52 52 TYR CB C 13 42.877 0.026 . 1 . . . . . 50 Tyr CB . 50156 1 194 . 1 . 1 52 52 TYR N N 15 123.020 0.304 . 1 . . . . . 50 Tyr N . 50156 1 195 . 1 . 1 53 53 LEU H H 1 8.274 0.003 . 1 . . . . . 51 Leu H . 50156 1 196 . 1 . 1 53 53 LEU C C 13 174.531 0.000 . 1 . . . . . 51 Leu CO . 50156 1 197 . 1 . 1 53 53 LEU CA C 13 55.499 0.021 . 1 . . . . . 51 Leu CA . 50156 1 198 . 1 . 1 53 53 LEU CB C 13 40.655 0.029 . 1 . . . . . 51 Leu CB . 50156 1 199 . 1 . 1 53 53 LEU N N 15 124.065 0.276 . 1 . . . . . 51 Leu N . 50156 1 200 . 1 . 1 54 54 CYS H H 1 8.721 0.003 . 1 . . . . . 52 Cys H . 50156 1 201 . 1 . 1 54 54 CYS C C 13 173.857 0.000 . 1 . . . . . 52 Cys CO . 50156 1 202 . 1 . 1 54 54 CYS CA C 13 57.451 0.012 . 1 . . . . . 52 Cys CA . 50156 1 203 . 1 . 1 54 54 CYS CB C 13 28.170 0.051 . 1 . . . . . 52 Cys CB . 50156 1 204 . 1 . 1 54 54 CYS N N 15 124.668 0.285 . 1 . . . . . 52 Cys N . 50156 1 205 . 1 . 1 55 55 ILE H H 1 8.889 0.003 . 1 . . . . . 53 Ile H . 50156 1 206 . 1 . 1 55 55 ILE CA C 13 57.205 0.000 . 1 . . . . . 53 Ile CA . 50156 1 207 . 1 . 1 55 55 ILE CB C 13 39.907 0.000 . 1 . . . . . 53 Ile CB . 50156 1 208 . 1 . 1 55 55 ILE N N 15 126.259 0.277 . 1 . . . . . 53 Ile N . 50156 1 209 . 1 . 1 57 57 ALA C C 13 175.648 0.000 . 1 . . . . . 55 Ala CO . 50156 1 210 . 1 . 1 57 57 ALA CA C 13 51.576 0.036 . 1 . . . . . 55 Ala CA . 50156 1 211 . 1 . 1 57 57 ALA CB C 13 21.444 0.036 . 1 . . . . . 55 Ala CB . 50156 1 212 . 1 . 1 58 58 ALA H H 1 8.290 0.004 . 1 . . . . . 56 Ala H . 50156 1 213 . 1 . 1 58 58 ALA C C 13 178.199 0.000 . 1 . . . . . 56 Ala CO . 50156 1 214 . 1 . 1 58 58 ALA CA C 13 51.190 0.016 . 1 . . . . . 56 Ala CA . 50156 1 215 . 1 . 1 58 58 ALA CB C 13 20.155 0.023 . 1 . . . . . 56 Ala CB . 50156 1 216 . 1 . 1 58 58 ALA N N 15 126.014 0.288 . 1 . . . . . 56 Ala N . 50156 1 217 . 1 . 1 59 59 ASP H H 1 9.141 0.003 . 1 . . . . . 57 Asp H . 50156 1 218 . 1 . 1 59 59 ASP C C 13 174.581 0.000 . 1 . . . . . 57 Asp CO . 50156 1 219 . 1 . 1 59 59 ASP CA C 13 53.037 0.009 . 1 . . . . . 57 Asp CA . 50156 1 220 . 1 . 1 59 59 ASP CB C 13 39.213 0.040 . 1 . . . . . 57 Asp CB . 50156 1 221 . 1 . 1 59 59 ASP N N 15 122.255 0.292 . 1 . . . . . 57 Asp N . 50156 1 222 . 1 . 1 60 60 SER H H 1 6.922 0.002 . 1 . . . . . 58 Ser H . 50156 1 223 . 1 . 1 60 60 SER CA C 13 53.076 0.000 . 1 . . . . . 58 Ser CA . 50156 1 224 . 1 . 1 60 60 SER CB C 13 64.900 0.000 . 1 . . . . . 58 Ser CB . 50156 1 225 . 1 . 1 60 60 SER N N 15 115.225 0.289 . 1 . . . . . 58 Ser N . 50156 1 226 . 1 . 1 61 61 PRO C C 13 176.089 0.000 . 1 . . . . . 59 Pro CO . 50156 1 227 . 1 . 1 61 61 PRO CA C 13 63.980 0.002 . 1 . . . . . 59 Pro CA . 50156 1 228 . 1 . 1 61 61 PRO CB C 13 31.024 0.012 . 1 . . . . . 59 Pro CB . 50156 1 229 . 1 . 1 62 62 SER H H 1 7.660 0.003 . 1 . . . . . 60 Ser H . 50156 1 230 . 1 . 1 62 62 SER C C 13 174.466 0.000 . 1 . . . . . 60 Ser CO . 50156 1 231 . 1 . 1 62 62 SER CA C 13 57.924 0.019 . 1 . . . . . 60 Ser CA . 50156 1 232 . 1 . 1 62 62 SER CB C 13 63.155 0.022 . 1 . . . . . 60 Ser CB . 50156 1 233 . 1 . 1 62 62 SER N N 15 109.454 0.366 . 1 . . . . . 60 Ser N . 50156 1 234 . 1 . 1 63 63 GLN H H 1 7.695 0.003 . 1 . . . . . 61 Gln H . 50156 1 235 . 1 . 1 63 63 GLN C C 13 174.497 0.000 . 1 . . . . . 61 Gln CO . 50156 1 236 . 1 . 1 63 63 GLN CA C 13 55.059 0.021 . 1 . . . . . 61 Gln CA . 50156 1 237 . 1 . 1 63 63 GLN CB C 13 29.511 0.024 . 1 . . . . . 61 Gln CB . 50156 1 238 . 1 . 1 63 63 GLN N N 15 125.083 0.278 . 1 . . . . . 61 Gln N . 50156 1 239 . 1 . 1 64 64 ASN H H 1 9.140 0.003 . 1 . . . . . 62 Asn H . 50156 1 240 . 1 . 1 64 64 ASN C C 13 176.594 0.000 . 1 . . . . . 62 Asn CO . 50156 1 241 . 1 . 1 64 64 ASN CA C 13 53.972 0.018 . 1 . . . . . 62 Asn CA . 50156 1 242 . 1 . 1 64 64 ASN CB C 13 38.309 0.062 . 1 . . . . . 62 Asn CB . 50156 1 243 . 1 . 1 64 64 ASN N N 15 128.317 0.311 . 1 . . . . . 62 Asn N . 50156 1 244 . 1 . 1 65 65 LEU H H 1 9.563 0.002 . 1 . . . . . 63 Leu H . 50156 1 245 . 1 . 1 65 65 LEU C C 13 176.902 0.000 . 1 . . . . . 63 Leu CO . 50156 1 246 . 1 . 1 65 65 LEU CA C 13 55.086 0.008 . 1 . . . . . 63 Leu CA . 50156 1 247 . 1 . 1 65 65 LEU CB C 13 43.264 0.017 . 1 . . . . . 63 Leu CB . 50156 1 248 . 1 . 1 65 65 LEU N N 15 126.835 0.288 . 1 . . . . . 63 Leu N . 50156 1 249 . 1 . 1 66 66 THR H H 1 7.362 0.003 . 1 . . . . . 64 Thr H . 50156 1 250 . 1 . 1 66 66 THR C C 13 177.385 0.000 . 1 . . . . . 64 Thr CO . 50156 1 251 . 1 . 1 66 66 THR CA C 13 64.516 0.012 . 1 . . . . . 64 Thr CA . 50156 1 252 . 1 . 1 66 66 THR CB C 13 67.689 0.023 . 1 . . . . . 64 Thr CB . 50156 1 253 . 1 . 1 66 66 THR N N 15 117.915 0.273 . 1 . . . . . 64 Thr N . 50156 1 254 . 1 . 1 67 67 ARG H H 1 8.289 0.005 . 1 . . . . . 65 Arg H . 50156 1 255 . 1 . 1 67 67 ARG C C 13 175.869 0.000 . 1 . . . . . 65 Arg CO . 50156 1 256 . 1 . 1 67 67 ARG CA C 13 57.676 0.008 . 1 . . . . . 65 Arg CA . 50156 1 257 . 1 . 1 67 67 ARG CB C 13 28.403 0.010 . 1 . . . . . 65 Arg CB . 50156 1 258 . 1 . 1 67 67 ARG N N 15 119.891 0.280 . 1 . . . . . 65 Arg N . 50156 1 259 . 1 . 1 68 68 HIS H H 1 7.873 0.004 . 1 . . . . . 66 His H . 50156 1 260 . 1 . 1 68 68 HIS C C 13 177.009 0.000 . 1 . . . . . 66 His CO . 50156 1 261 . 1 . 1 68 68 HIS CA C 13 55.592 0.010 . 1 . . . . . 66 His CA . 50156 1 262 . 1 . 1 68 68 HIS CB C 13 29.766 0.008 . 1 . . . . . 66 His CB . 50156 1 263 . 1 . 1 68 68 HIS N N 15 117.460 0.414 . 1 . . . . . 66 His N . 50156 1 264 . 1 . 1 69 69 PHE H H 1 8.080 0.003 . 1 . . . . . 67 Phe H . 50156 1 265 . 1 . 1 69 69 PHE C C 13 177.279 0.000 . 1 . . . . . 67 Phe CO . 50156 1 266 . 1 . 1 69 69 PHE CA C 13 58.590 0.010 . 1 . . . . . 67 Phe CA . 50156 1 267 . 1 . 1 69 69 PHE CB C 13 35.604 0.052 . 1 . . . . . 67 Phe CB . 50156 1 268 . 1 . 1 69 69 PHE N N 15 123.380 0.294 . 1 . . . . . 67 Phe N . 50156 1 269 . 1 . 1 70 70 LYS H H 1 9.181 0.003 . 1 . . . . . 68 Lys H . 50156 1 270 . 1 . 1 70 70 LYS C C 13 178.218 0.000 . 1 . . . . . 68 Lys CO . 50156 1 271 . 1 . 1 70 70 LYS CA C 13 61.917 0.006 . 1 . . . . . 68 Lys CA . 50156 1 272 . 1 . 1 70 70 LYS CB C 13 30.263 0.025 . 1 . . . . . 68 Lys CB . 50156 1 273 . 1 . 1 70 70 LYS N N 15 121.942 0.311 . 1 . . . . . 68 Lys N . 50156 1 274 . 1 . 1 71 71 GLU H H 1 8.949 0.004 . 1 . . . . . 69 Glu H . 50156 1 275 . 1 . 1 71 71 GLU CA C 13 59.030 0.011 . 1 . . . . . 69 Glu CA . 50156 1 276 . 1 . 1 71 71 GLU CB C 13 28.447 0.040 . 1 . . . . . 69 Glu CB . 50156 1 277 . 1 . 1 71 71 GLU N N 15 117.524 0.278 . 1 . . . . . 69 Glu N . 50156 1 278 . 1 . 1 72 72 SER H H 1 7.808 0.003 . 1 . . . . . 70 Ser H . 50156 1 279 . 1 . 1 72 72 SER C C 13 174.921 0.000 . 1 . . . . . 70 Ser CO . 50156 1 280 . 1 . 1 72 72 SER CA C 13 63.262 0.031 . 1 . . . . . 70 Ser CA . 50156 1 281 . 1 . 1 72 72 SER CB C 13 62.049 0.036 . 1 . . . . . 70 Ser CB . 50156 1 282 . 1 . 1 72 72 SER N N 15 117.089 0.413 . 1 . . . . . 70 Ser N . 50156 1 283 . 1 . 1 73 73 ILE H H 1 8.904 0.002 . 1 . . . . . 71 Ile H . 50156 1 284 . 1 . 1 73 73 ILE C C 13 177.303 0.000 . 1 . . . . . 71 Ile CO . 50156 1 285 . 1 . 1 73 73 ILE CA C 13 66.264 0.004 . 1 . . . . . 71 Ile CA . 50156 1 286 . 1 . 1 73 73 ILE CB C 13 37.776 0.017 . 1 . . . . . 71 Ile CB . 50156 1 287 . 1 . 1 73 73 ILE N N 15 122.988 0.288 . 1 . . . . . 71 Ile N . 50156 1 288 . 1 . 1 74 74 LYS H H 1 8.663 0.003 . 1 . . . . . 72 Lys H . 50156 1 289 . 1 . 1 74 74 LYS C C 13 176.817 0.000 . 1 . . . . . 72 Lys CO . 50156 1 290 . 1 . 1 74 74 LYS CA C 13 60.908 0.023 . 1 . . . . . 72 Lys CA . 50156 1 291 . 1 . 1 74 74 LYS CB C 13 33.168 0.005 . 1 . . . . . 72 Lys CB . 50156 1 292 . 1 . 1 74 74 LYS N N 15 120.098 0.296 . 1 . . . . . 72 Lys N . 50156 1 293 . 1 . 1 75 75 PHE H H 1 7.673 0.003 . 1 . . . . . 73 Phe H . 50156 1 294 . 1 . 1 75 75 PHE C C 13 178.067 0.000 . 1 . . . . . 73 Phe CO . 50156 1 295 . 1 . 1 75 75 PHE CA C 13 61.398 0.003 . 1 . . . . . 73 Phe CA . 50156 1 296 . 1 . 1 75 75 PHE CB C 13 40.545 0.009 . 1 . . . . . 73 Phe CB . 50156 1 297 . 1 . 1 75 75 PHE N N 15 118.118 0.289 . 1 . . . . . 73 Phe N . 50156 1 298 . 1 . 1 76 76 ILE H H 1 8.443 0.002 . 1 . . . . . 74 Ile H . 50156 1 299 . 1 . 1 76 76 ILE C C 13 178.146 0.000 . 1 . . . . . 74 Ile CO . 50156 1 300 . 1 . 1 76 76 ILE CA C 13 65.175 0.007 . 1 . . . . . 74 Ile CA . 50156 1 301 . 1 . 1 76 76 ILE CB C 13 39.614 0.023 . 1 . . . . . 74 Ile CB . 50156 1 302 . 1 . 1 76 76 ILE N N 15 117.292 0.304 . 1 . . . . . 74 Ile N . 50156 1 303 . 1 . 1 77 77 HIS H H 1 9.246 0.004 . 1 . . . . . 75 His H . 50156 1 304 . 1 . 1 77 77 HIS C C 13 177.964 0.000 . 1 . . . . . 75 His CO . 50156 1 305 . 1 . 1 77 77 HIS CA C 13 60.781 0.005 . 1 . . . . . 75 His CA . 50156 1 306 . 1 . 1 77 77 HIS CB C 13 31.038 0.019 . 1 . . . . . 75 His CB . 50156 1 307 . 1 . 1 77 77 HIS N N 15 119.667 0.311 . 1 . . . . . 75 His N . 50156 1 308 . 1 . 1 78 78 GLU H H 1 8.325 0.003 . 1 . . . . . 76 Glu H . 50156 1 309 . 1 . 1 78 78 GLU C C 13 178.721 0.000 . 1 . . . . . 76 Glu CO . 50156 1 310 . 1 . 1 78 78 GLU CA C 13 60.002 0.011 . 1 . . . . . 76 Glu CA . 50156 1 311 . 1 . 1 78 78 GLU CB C 13 27.724 0.008 . 1 . . . . . 76 Glu CB . 50156 1 312 . 1 . 1 78 78 GLU N N 15 113.827 0.286 . 1 . . . . . 76 Glu N . 50156 1 313 . 1 . 1 79 79 CYS H H 1 6.522 0.003 . 1 . . . . . 77 Cys H . 50156 1 314 . 1 . 1 79 79 CYS C C 13 176.015 0.000 . 1 . . . . . 77 Cys CO . 50156 1 315 . 1 . 1 79 79 CYS CA C 13 62.146 0.010 . 1 . . . . . 77 Cys CA . 50156 1 316 . 1 . 1 79 79 CYS CB C 13 24.683 0.031 . 1 . . . . . 77 Cys CB . 50156 1 317 . 1 . 1 79 79 CYS N N 15 117.426 0.282 . 1 . . . . . 77 Cys N . 50156 1 318 . 1 . 1 80 80 ARG H H 1 7.990 0.003 . 1 . . . . . 78 Arg H . 50156 1 319 . 1 . 1 80 80 ARG C C 13 181.801 0.000 . 1 . . . . . 78 Arg CO . 50156 1 320 . 1 . 1 80 80 ARG CA C 13 60.122 0.006 . 1 . . . . . 78 Arg CA . 50156 1 321 . 1 . 1 80 80 ARG CB C 13 28.755 0.005 . 1 . . . . . 78 Arg CB . 50156 1 322 . 1 . 1 80 80 ARG N N 15 118.210 0.308 . 1 . . . . . 78 Arg N . 50156 1 323 . 1 . 1 81 81 LEU H H 1 8.636 0.003 . 1 . . . . . 79 Leu H . 50156 1 324 . 1 . 1 81 81 LEU C C 13 178.986 0.000 . 1 . . . . . 79 Leu CO . 50156 1 325 . 1 . 1 81 81 LEU CA C 13 57.424 0.020 . 1 . . . . . 79 Leu CA . 50156 1 326 . 1 . 1 81 81 LEU CB C 13 41.107 0.020 . 1 . . . . . 79 Leu CB . 50156 1 327 . 1 . 1 81 81 LEU N N 15 121.400 0.326 . 1 . . . . . 79 Leu N . 50156 1 328 . 1 . 1 82 82 ARG H H 1 7.111 0.002 . 1 . . . . . 80 Arg H . 50156 1 329 . 1 . 1 82 82 ARG C C 13 176.621 0.000 . 1 . . . . . 80 Arg CO . 50156 1 330 . 1 . 1 82 82 ARG CA C 13 56.298 0.009 . 1 . . . . . 80 Arg CA . 50156 1 331 . 1 . 1 82 82 ARG CB C 13 30.094 0.010 . 1 . . . . . 80 Arg CB . 50156 1 332 . 1 . 1 82 82 ARG N N 15 116.898 0.305 . 1 . . . . . 80 Arg N . 50156 1 333 . 1 . 1 83 83 GLY H H 1 8.024 0.003 . 1 . . . . . 81 Gly H . 50156 1 334 . 1 . 1 83 83 GLY C C 13 174.672 0.000 . 1 . . . . . 81 Gly CO . 50156 1 335 . 1 . 1 83 83 GLY CA C 13 45.527 0.006 . 1 . . . . . 81 Gly CA . 50156 1 336 . 1 . 1 83 83 GLY N N 15 107.624 0.293 . 1 . . . . . 81 Gly N . 50156 1 337 . 1 . 1 84 84 GLU H H 1 7.079 0.002 . 1 . . . . . 82 Glu H . 50156 1 338 . 1 . 1 84 84 GLU C C 13 174.980 0.000 . 1 . . . . . 82 Glu CO . 50156 1 339 . 1 . 1 84 84 GLU CA C 13 54.621 0.002 . 1 . . . . . 82 Glu CA . 50156 1 340 . 1 . 1 84 84 GLU CB C 13 31.074 0.007 . 1 . . . . . 82 Glu CB . 50156 1 341 . 1 . 1 84 84 GLU N N 15 119.602 0.282 . 1 . . . . . 82 Glu N . 50156 1 342 . 1 . 1 85 85 SER H H 1 7.455 0.002 . 1 . . . . . 83 Ser H . 50156 1 343 . 1 . 1 85 85 SER C C 13 171.812 0.000 . 1 . . . . . 83 Ser CO . 50156 1 344 . 1 . 1 85 85 SER CA C 13 57.090 0.004 . 1 . . . . . 83 Ser CA . 50156 1 345 . 1 . 1 85 85 SER CB C 13 64.992 0.012 . 1 . . . . . 83 Ser CB . 50156 1 346 . 1 . 1 85 85 SER N N 15 112.860 0.278 . 1 . . . . . 83 Ser N . 50156 1 347 . 1 . 1 86 86 CYS H H 1 8.832 0.003 . 1 . . . . . 84 Cys H . 50156 1 348 . 1 . 1 86 86 CYS C C 13 173.385 0.000 . 1 . . . . . 84 Cys CO . 50156 1 349 . 1 . 1 86 86 CYS CA C 13 55.639 0.006 . 1 . . . . . 84 Cys CA . 50156 1 350 . 1 . 1 86 86 CYS CB C 13 28.812 0.025 . 1 . . . . . 84 Cys CB . 50156 1 351 . 1 . 1 86 86 CYS N N 15 124.474 0.301 . 1 . . . . . 84 Cys N . 50156 1 352 . 1 . 1 87 87 LEU H H 1 8.685 0.004 . 1 . . . . . 85 Leu H . 50156 1 353 . 1 . 1 87 87 LEU C C 13 173.417 0.000 . 1 . . . . . 85 Leu CO . 50156 1 354 . 1 . 1 87 87 LEU CA C 13 53.065 0.009 . 1 . . . . . 85 Leu CA . 50156 1 355 . 1 . 1 87 87 LEU CB C 13 44.825 0.011 . 1 . . . . . 85 Leu CB . 50156 1 356 . 1 . 1 87 87 LEU N N 15 130.430 0.285 . 1 . . . . . 85 Leu N . 50156 1 357 . 1 . 1 88 88 VAL H H 1 9.246 0.003 . 1 . . . . . 86 Val H . 50156 1 358 . 1 . 1 88 88 VAL C C 13 174.728 0.000 . 1 . . . . . 86 Val CO . 50156 1 359 . 1 . 1 88 88 VAL CA C 13 60.285 0.009 . 1 . . . . . 86 Val CA . 50156 1 360 . 1 . 1 88 88 VAL CB C 13 31.436 0.000 . 1 . . . . . 86 Val CB . 50156 1 361 . 1 . 1 88 88 VAL N N 15 129.362 0.289 . 1 . . . . . 86 Val N . 50156 1 362 . 1 . 1 89 89 HIS H H 1 9.468 0.003 . 1 . . . . . 87 His H . 50156 1 363 . 1 . 1 89 89 HIS CA C 13 54.063 0.000 . 1 . . . . . 87 His CA . 50156 1 364 . 1 . 1 89 89 HIS N N 15 122.950 0.243 . 1 . . . . . 87 His N . 50156 1 365 . 1 . 1 91 91 LEU CA C 13 58.287 0.018 . 1 . . . . . 89 Leu CA . 50156 1 366 . 1 . 1 92 92 ALA H H 1 8.323 0.003 . 1 . . . . . 90 Ala H . 50156 1 367 . 1 . 1 92 92 ALA C C 13 178.369 0.000 . 1 . . . . . 90 Ala CO . 50156 1 368 . 1 . 1 92 92 ALA CA C 13 51.649 0.010 . 1 . . . . . 90 Ala CA . 50156 1 369 . 1 . 1 92 92 ALA CB C 13 21.168 0.014 . 1 . . . . . 90 Ala CB . 50156 1 370 . 1 . 1 92 92 ALA N N 15 119.197 0.256 . 1 . . . . . 90 Ala N . 50156 1 371 . 1 . 1 93 93 GLY H H 1 9.962 0.004 . 1 . . . . . 91 Gly H . 50156 1 372 . 1 . 1 93 93 GLY C C 13 173.836 0.000 . 1 . . . . . 91 Gly CO . 50156 1 373 . 1 . 1 93 93 GLY CA C 13 47.446 0.003 . 1 . . . . . 91 Gly CA . 50156 1 374 . 1 . 1 93 93 GLY N N 15 119.063 0.322 . 1 . . . . . 91 Gly N . 50156 1 375 . 1 . 1 94 94 VAL H H 1 7.360 0.003 . 1 . . . . . 92 Val H . 50156 1 376 . 1 . 1 94 94 VAL C C 13 175.892 0.000 . 1 . . . . . 92 Val CO . 50156 1 377 . 1 . 1 94 94 VAL CA C 13 64.020 0.011 . 1 . . . . . 92 Val CA . 50156 1 378 . 1 . 1 94 94 VAL CB C 13 33.397 0.053 . 1 . . . . . 92 Val CB . 50156 1 379 . 1 . 1 94 94 VAL N N 15 115.349 0.302 . 1 . . . . . 92 Val N . 50156 1 380 . 1 . 1 95 95 SER H H 1 8.177 0.006 . 1 . . . . . 93 Ser H . 50156 1 381 . 1 . 1 95 95 SER C C 13 177.081 0.000 . 1 . . . . . 93 Ser CO . 50156 1 382 . 1 . 1 95 95 SER CA C 13 58.873 0.030 . 1 . . . . . 93 Ser CA . 50156 1 383 . 1 . 1 95 95 SER CB C 13 63.506 0.020 . 1 . . . . . 93 Ser CB . 50156 1 384 . 1 . 1 95 95 SER N N 15 112.247 0.312 . 1 . . . . . 93 Ser N . 50156 1 385 . 1 . 1 96 96 ARG H H 1 8.624 0.005 . 1 . . . . . 94 Arg H . 50156 1 386 . 1 . 1 96 96 ARG C C 13 177.276 0.000 . 1 . . . . . 94 Arg CO . 50156 1 387 . 1 . 1 96 96 ARG CA C 13 61.467 0.042 . 1 . . . . . 94 Arg CA . 50156 1 388 . 1 . 1 96 96 ARG CB C 13 31.566 0.022 . 1 . . . . . 94 Arg CB . 50156 1 389 . 1 . 1 96 96 ARG N N 15 124.325 0.305 . 1 . . . . . 94 Arg N . 50156 1 390 . 1 . 1 97 97 SER H H 1 10.153 0.004 . 1 . . . . . 95 Ser H . 50156 1 391 . 1 . 1 97 97 SER C C 13 177.455 0.000 . 1 . . . . . 95 Ser CO . 50156 1 392 . 1 . 1 97 97 SER CA C 13 61.310 0.032 . 1 . . . . . 95 Ser CA . 50156 1 393 . 1 . 1 97 97 SER CB C 13 61.432 0.016 . 1 . . . . . 95 Ser CB . 50156 1 394 . 1 . 1 97 97 SER N N 15 117.213 0.329 . 1 . . . . . 95 Ser N . 50156 1 395 . 1 . 1 98 98 VAL H H 1 6.135 0.002 . 1 . . . . . 96 Val H . 50156 1 396 . 1 . 1 98 98 VAL C C 13 176.102 0.000 . 1 . . . . . 96 Val CO . 50156 1 397 . 1 . 1 98 98 VAL CA C 13 65.749 0.005 . 1 . . . . . 96 Val CA . 50156 1 398 . 1 . 1 98 98 VAL CB C 13 32.428 0.011 . 1 . . . . . 96 Val CB . 50156 1 399 . 1 . 1 98 98 VAL N N 15 119.922 0.285 . 1 . . . . . 96 Val N . 50156 1 400 . 1 . 1 99 99 THR H H 1 7.527 0.001 . 1 . . . . . 97 Thr H . 50156 1 401 . 1 . 1 99 99 THR C C 13 175.079 0.000 . 1 . . . . . 97 Thr CO . 50156 1 402 . 1 . 1 99 99 THR CA C 13 69.077 0.000 . 1 . . . . . 97 Thr CA . 50156 1 403 . 1 . 1 99 99 THR CB C 13 67.290 0.013 . 1 . . . . . 97 Thr CB . 50156 1 404 . 1 . 1 99 99 THR N N 15 117.338 0.309 . 1 . . . . . 97 Thr N . 50156 1 405 . 1 . 1 100 100 LEU H H 1 6.865 0.003 . 1 . . . . . 98 Leu H . 50156 1 406 . 1 . 1 100 100 LEU C C 13 178.598 0.000 . 1 . . . . . 98 Leu CO . 50156 1 407 . 1 . 1 100 100 LEU CA C 13 57.693 0.005 . 1 . . . . . 98 Leu CA . 50156 1 408 . 1 . 1 100 100 LEU CB C 13 40.786 0.030 . 1 . . . . . 98 Leu CB . 50156 1 409 . 1 . 1 100 100 LEU N N 15 116.751 0.305 . 1 . . . . . 98 Leu N . 50156 1 410 . 1 . 1 101 101 VAL H H 1 7.818 0.002 . 1 . . . . . 99 Val H . 50156 1 411 . 1 . 1 101 101 VAL C C 13 177.516 0.000 . 1 . . . . . 99 Val CO . 50156 1 412 . 1 . 1 101 101 VAL CA C 13 67.367 0.008 . 1 . . . . . 99 Val CA . 50156 1 413 . 1 . 1 101 101 VAL CB C 13 30.588 0.029 . 1 . . . . . 99 Val CB . 50156 1 414 . 1 . 1 101 101 VAL N N 15 117.503 0.289 . 1 . . . . . 99 Val N . 50156 1 415 . 1 . 1 102 102 ILE H H 1 8.733 0.004 . 1 . . . . . 100 Ile H . 50156 1 416 . 1 . 1 102 102 ILE C C 13 176.948 0.000 . 1 . . . . . 100 Ile CO . 50156 1 417 . 1 . 1 102 102 ILE CA C 13 67.022 0.012 . 1 . . . . . 100 Ile CA . 50156 1 418 . 1 . 1 102 102 ILE CB C 13 36.742 0.007 . 1 . . . . . 100 Ile CB . 50156 1 419 . 1 . 1 102 102 ILE N N 15 122.017 0.297 . 1 . . . . . 100 Ile N . 50156 1 420 . 1 . 1 103 103 ALA H H 1 7.391 0.002 . 1 . . . . . 101 Ala H . 50156 1 421 . 1 . 1 103 103 ALA C C 13 179.505 0.000 . 1 . . . . . 101 Ala CO . 50156 1 422 . 1 . 1 103 103 ALA CA C 13 55.328 0.011 . 1 . . . . . 101 Ala CA . 50156 1 423 . 1 . 1 103 103 ALA CB C 13 14.725 0.011 . 1 . . . . . 101 Ala CB . 50156 1 424 . 1 . 1 103 103 ALA N N 15 121.357 0.307 . 1 . . . . . 101 Ala N . 50156 1 425 . 1 . 1 104 104 TYR H H 1 7.800 0.003 . 1 . . . . . 102 Tyr H . 50156 1 426 . 1 . 1 104 104 TYR C C 13 177.116 0.000 . 1 . . . . . 102 Tyr CO . 50156 1 427 . 1 . 1 104 104 TYR CA C 13 63.202 0.005 . 1 . . . . . 102 Tyr CA . 50156 1 428 . 1 . 1 104 104 TYR CB C 13 37.605 0.010 . 1 . . . . . 102 Tyr CB . 50156 1 429 . 1 . 1 104 104 TYR N N 15 117.589 0.287 . 1 . . . . . 102 Tyr N . 50156 1 430 . 1 . 1 105 105 ILE H H 1 8.913 0.003 . 1 . . . . . 103 Ile H . 50156 1 431 . 1 . 1 105 105 ILE C C 13 179.182 0.000 . 1 . . . . . 103 Ile CO . 50156 1 432 . 1 . 1 105 105 ILE CA C 13 65.529 0.002 . 1 . . . . . 103 Ile CA . 50156 1 433 . 1 . 1 105 105 ILE CB C 13 37.318 0.032 . 1 . . . . . 103 Ile CB . 50156 1 434 . 1 . 1 105 105 ILE N N 15 120.401 0.271 . 1 . . . . . 103 Ile N . 50156 1 435 . 1 . 1 106 106 MET H H 1 8.800 0.003 . 1 . . . . . 104 Met H . 50156 1 436 . 1 . 1 106 106 MET C C 13 175.502 0.000 . 1 . . . . . 104 Met CO . 50156 1 437 . 1 . 1 106 106 MET CA C 13 59.145 0.018 . 1 . . . . . 104 Met CA . 50156 1 438 . 1 . 1 106 106 MET CB C 13 35.282 0.034 . 1 . . . . . 104 Met CB . 50156 1 439 . 1 . 1 106 106 MET N N 15 118.662 0.297 . 1 . . . . . 104 Met N . 50156 1 440 . 1 . 1 107 107 THR H H 1 7.413 0.002 . 1 . . . . . 105 Thr H . 50156 1 441 . 1 . 1 107 107 THR C C 13 174.734 0.000 . 1 . . . . . 105 Thr CO . 50156 1 442 . 1 . 1 107 107 THR CA C 13 66.524 0.009 . 1 . . . . . 105 Thr CA . 50156 1 443 . 1 . 1 107 107 THR CB C 13 67.905 0.011 . 1 . . . . . 105 Thr CB . 50156 1 444 . 1 . 1 107 107 THR N N 15 112.420 0.308 . 1 . . . . . 105 Thr N . 50156 1 445 . 1 . 1 108 108 VAL H H 1 7.409 0.003 . 1 . . . . . 106 Val H . 50156 1 446 . 1 . 1 108 108 VAL C C 13 175.402 0.000 . 1 . . . . . 106 Val CO . 50156 1 447 . 1 . 1 108 108 VAL CA C 13 61.844 0.022 . 1 . . . . . 106 Val CA . 50156 1 448 . 1 . 1 108 108 VAL CB C 13 30.683 0.002 . 1 . . . . . 106 Val CB . 50156 1 449 . 1 . 1 108 108 VAL N N 15 112.512 0.274 . 1 . . . . . 106 Val N . 50156 1 450 . 1 . 1 109 109 THR H H 1 7.226 0.002 . 1 . . . . . 107 Thr H . 50156 1 451 . 1 . 1 109 109 THR C C 13 172.470 0.000 . 1 . . . . . 107 Thr CO . 50156 1 452 . 1 . 1 109 109 THR CA C 13 60.622 0.008 . 1 . . . . . 107 Thr CA . 50156 1 453 . 1 . 1 109 109 THR CB C 13 71.248 0.005 . 1 . . . . . 107 Thr CB . 50156 1 454 . 1 . 1 109 109 THR N N 15 114.468 0.304 . 1 . . . . . 107 Thr N . 50156 1 455 . 1 . 1 110 110 ASP H H 1 7.602 0.003 . 1 . . . . . 108 Asp H . 50156 1 456 . 1 . 1 110 110 ASP C C 13 177.327 0.000 . 1 . . . . . 108 Asp CO . 50156 1 457 . 1 . 1 110 110 ASP CA C 13 53.122 0.006 . 1 . . . . . 108 Asp CA . 50156 1 458 . 1 . 1 110 110 ASP CB C 13 40.260 0.011 . 1 . . . . . 108 Asp CB . 50156 1 459 . 1 . 1 110 110 ASP N N 15 115.170 0.293 . 1 . . . . . 108 Asp N . 50156 1 460 . 1 . 1 111 111 PHE H H 1 8.488 0.003 . 1 . . . . . 109 Phe H . 50156 1 461 . 1 . 1 111 111 PHE C C 13 176.920 0.000 . 1 . . . . . 109 Phe CO . 50156 1 462 . 1 . 1 111 111 PHE CA C 13 55.809 0.005 . 1 . . . . . 109 Phe CA . 50156 1 463 . 1 . 1 111 111 PHE CB C 13 39.012 0.031 . 1 . . . . . 109 Phe CB . 50156 1 464 . 1 . 1 111 111 PHE N N 15 121.738 0.281 . 1 . . . . . 109 Phe N . 50156 1 465 . 1 . 1 112 112 GLY H H 1 8.332 0.003 . 1 . . . . . 110 Gly H . 50156 1 466 . 1 . 1 112 112 GLY C C 13 174.898 0.000 . 1 . . . . . 110 Gly CO . 50156 1 467 . 1 . 1 112 112 GLY CA C 13 43.861 0.003 . 1 . . . . . 110 Gly CA . 50156 1 468 . 1 . 1 112 112 GLY N N 15 104.607 0.273 . 1 . . . . . 110 Gly N . 50156 1 469 . 1 . 1 113 113 TRP H H 1 9.094 0.001 . 1 . . . . . 111 Trp H . 50156 1 470 . 1 . 1 113 113 TRP C C 13 177.916 0.000 . 1 . . . . . 111 Trp CO . 50156 1 471 . 1 . 1 113 113 TRP CA C 13 60.822 0.011 . 1 . . . . . 111 Trp CA . 50156 1 472 . 1 . 1 113 113 TRP CB C 13 28.444 0.006 . 1 . . . . . 111 Trp CB . 50156 1 473 . 1 . 1 113 113 TRP N N 15 120.991 0.265 . 1 . . . . . 111 Trp N . 50156 1 474 . 1 . 1 114 114 GLU H H 1 7.734 0.004 . 1 . . . . . 112 Glu H . 50156 1 475 . 1 . 1 114 114 GLU C C 13 179.437 0.000 . 1 . . . . . 112 Glu CO . 50156 1 476 . 1 . 1 114 114 GLU CA C 13 60.348 0.015 . 1 . . . . . 112 Glu CA . 50156 1 477 . 1 . 1 114 114 GLU CB C 13 28.165 0.009 . 1 . . . . . 112 Glu CB . 50156 1 478 . 1 . 1 114 114 GLU N N 15 123.295 0.312 . 1 . . . . . 112 Glu N . 50156 1 479 . 1 . 1 115 115 ASP H H 1 8.396 0.005 . 1 . . . . . 113 Asp H . 50156 1 480 . 1 . 1 115 115 ASP C C 13 179.574 0.000 . 1 . . . . . 113 Asp CO . 50156 1 481 . 1 . 1 115 115 ASP CA C 13 56.984 0.013 . 1 . . . . . 113 Asp CA . 50156 1 482 . 1 . 1 115 115 ASP CB C 13 38.920 0.038 . 1 . . . . . 113 Asp CB . 50156 1 483 . 1 . 1 115 115 ASP N N 15 121.223 0.293 . 1 . . . . . 113 Asp N . 50156 1 484 . 1 . 1 116 116 ALA H H 1 8.469 0.002 . 1 . . . . . 114 Ala H . 50156 1 485 . 1 . 1 116 116 ALA C C 13 178.935 0.000 . 1 . . . . . 114 Ala CO . 50156 1 486 . 1 . 1 116 116 ALA CA C 13 55.893 0.007 . 1 . . . . . 114 Ala CA . 50156 1 487 . 1 . 1 116 116 ALA CB C 13 19.941 0.012 . 1 . . . . . 114 Ala CB . 50156 1 488 . 1 . 1 116 116 ALA N N 15 124.330 0.310 . 1 . . . . . 114 Ala N . 50156 1 489 . 1 . 1 117 117 LEU H H 1 8.848 0.003 . 1 . . . . . 115 Leu H . 50156 1 490 . 1 . 1 117 117 LEU CA C 13 58.701 0.010 . 1 . . . . . 115 Leu CA . 50156 1 491 . 1 . 1 117 117 LEU CB C 13 39.784 0.021 . 1 . . . . . 115 Leu CB . 50156 1 492 . 1 . 1 117 117 LEU N N 15 121.817 0.296 . 1 . . . . . 115 Leu N . 50156 1 493 . 1 . 1 118 118 HIS H H 1 8.162 0.003 . 1 . . . . . 116 His H . 50156 1 494 . 1 . 1 118 118 HIS C C 13 178.296 0.000 . 1 . . . . . 116 His CO . 50156 1 495 . 1 . 1 118 118 HIS CA C 13 60.055 0.005 . 1 . . . . . 116 His CA . 50156 1 496 . 1 . 1 118 118 HIS CB C 13 28.948 0.008 . 1 . . . . . 116 His CB . 50156 1 497 . 1 . 1 118 118 HIS N N 15 119.531 0.267 . 1 . . . . . 116 His N . 50156 1 498 . 1 . 1 119 119 THR H H 1 7.887 0.002 . 1 . . . . . 117 Thr H . 50156 1 499 . 1 . 1 119 119 THR C C 13 176.793 0.000 . 1 . . . . . 117 Thr CO . 50156 1 500 . 1 . 1 119 119 THR CA C 13 67.526 0.010 . 1 . . . . . 117 Thr CA . 50156 1 501 . 1 . 1 119 119 THR CB C 13 68.170 0.003 . 1 . . . . . 117 Thr CB . 50156 1 502 . 1 . 1 119 119 THR N N 15 118.048 0.386 . 1 . . . . . 117 Thr N . 50156 1 503 . 1 . 1 120 120 VAL H H 1 8.273 0.003 . 1 . . . . . 118 Val H . 50156 1 504 . 1 . 1 120 120 VAL C C 13 177.836 0.000 . 1 . . . . . 118 Val CO . 50156 1 505 . 1 . 1 120 120 VAL CA C 13 67.274 0.015 . 1 . . . . . 118 Val CA . 50156 1 506 . 1 . 1 120 120 VAL CB C 13 30.593 0.012 . 1 . . . . . 118 Val CB . 50156 1 507 . 1 . 1 120 120 VAL N N 15 122.744 0.271 . 1 . . . . . 118 Val N . 50156 1 508 . 1 . 1 121 121 ARG H H 1 8.877 0.003 . 1 . . . . . 119 Arg H . 50156 1 509 . 1 . 1 121 121 ARG C C 13 177.100 0.000 . 1 . . . . . 119 Arg CO . 50156 1 510 . 1 . 1 121 121 ARG CA C 13 58.025 0.006 . 1 . . . . . 119 Arg CA . 50156 1 511 . 1 . 1 121 121 ARG CB C 13 29.743 0.004 . 1 . . . . . 119 Arg CB . 50156 1 512 . 1 . 1 121 121 ARG N N 15 120.479 0.323 . 1 . . . . . 119 Arg N . 50156 1 513 . 1 . 1 122 122 ALA H H 1 7.553 0.003 . 1 . . . . . 120 Ala H . 50156 1 514 . 1 . 1 122 122 ALA C C 13 178.985 0.000 . 1 . . . . . 120 Ala CO . 50156 1 515 . 1 . 1 122 122 ALA CA C 13 54.390 0.002 . 1 . . . . . 120 Ala CA . 50156 1 516 . 1 . 1 122 122 ALA CB C 13 17.087 0.027 . 1 . . . . . 120 Ala CB . 50156 1 517 . 1 . 1 122 122 ALA N N 15 120.650 0.266 . 1 . . . . . 120 Ala N . 50156 1 518 . 1 . 1 123 123 GLY H H 1 7.338 0.003 . 1 . . . . . 121 Gly H . 50156 1 519 . 1 . 1 123 123 GLY C C 13 172.641 0.000 . 1 . . . . . 121 Gly CO . 50156 1 520 . 1 . 1 123 123 GLY CA C 13 45.711 0.002 . 1 . . . . . 121 Gly CA . 50156 1 521 . 1 . 1 123 123 GLY N N 15 103.233 0.270 . 1 . . . . . 121 Gly N . 50156 1 522 . 1 . 1 124 124 ARG H H 1 8.772 0.004 . 1 . . . . . 122 Arg H . 50156 1 523 . 1 . 1 124 124 ARG C C 13 175.077 0.000 . 1 . . . . . 122 Arg CO . 50156 1 524 . 1 . 1 124 124 ARG CA C 13 54.546 0.007 . 1 . . . . . 122 Arg CA . 50156 1 525 . 1 . 1 124 124 ARG CB C 13 31.098 0.010 . 1 . . . . . 122 Arg CB . 50156 1 526 . 1 . 1 124 124 ARG N N 15 124.847 0.279 . 1 . . . . . 122 Arg N . 50156 1 527 . 1 . 1 125 125 SER H H 1 8.779 0.004 . 1 . . . . . 123 Ser H . 50156 1 528 . 1 . 1 125 125 SER C C 13 175.029 0.000 . 1 . . . . . 123 Ser CO . 50156 1 529 . 1 . 1 125 125 SER CA C 13 61.991 0.014 . 1 . . . . . 123 Ser CA . 50156 1 530 . 1 . 1 125 125 SER CB C 13 62.611 0.005 . 1 . . . . . 123 Ser CB . 50156 1 531 . 1 . 1 125 125 SER N N 15 122.968 0.289 . 1 . . . . . 123 Ser N . 50156 1 532 . 1 . 1 126 126 CYS H H 1 7.724 0.004 . 1 . . . . . 124 Cys H . 50156 1 533 . 1 . 1 126 126 CYS C C 13 174.157 0.000 . 1 . . . . . 124 Cys CO . 50156 1 534 . 1 . 1 126 126 CYS CA C 13 56.892 0.009 . 1 . . . . . 124 Cys CA . 50156 1 535 . 1 . 1 126 126 CYS CB C 13 27.560 0.035 . 1 . . . . . 124 Cys CB . 50156 1 536 . 1 . 1 126 126 CYS N N 15 114.833 0.253 . 1 . . . . . 124 Cys N . 50156 1 537 . 1 . 1 127 127 ALA H H 1 7.800 0.002 . 1 . . . . . 125 Ala H . 50156 1 538 . 1 . 1 127 127 ALA C C 13 177.462 0.000 . 1 . . . . . 125 Ala CO . 50156 1 539 . 1 . 1 127 127 ALA CA C 13 53.751 0.012 . 1 . . . . . 125 Ala CA . 50156 1 540 . 1 . 1 127 127 ALA CB C 13 20.141 0.014 . 1 . . . . . 125 Ala CB . 50156 1 541 . 1 . 1 127 127 ALA N N 15 125.049 0.334 . 1 . . . . . 125 Ala N . 50156 1 542 . 1 . 1 128 128 ASN H H 1 9.329 0.005 . 1 . . . . . 126 Asn H . 50156 1 543 . 1 . 1 128 128 ASN CA C 13 52.834 0.000 . 1 . . . . . 126 Asn CA . 50156 1 544 . 1 . 1 128 128 ASN CB C 13 37.070 0.000 . 1 . . . . . 126 Asn CB . 50156 1 545 . 1 . 1 128 128 ASN N N 15 119.767 0.287 . 1 . . . . . 126 Asn N . 50156 1 546 . 1 . 1 129 129 PRO C C 13 176.819 0.000 . 1 . . . . . 127 Pro CO . 50156 1 547 . 1 . 1 129 129 PRO CA C 13 62.816 0.003 . 1 . . . . . 127 Pro CA . 50156 1 548 . 1 . 1 129 129 PRO CB C 13 31.404 0.008 . 1 . . . . . 127 Pro CB . 50156 1 549 . 1 . 1 130 130 ASN H H 1 7.924 0.003 . 1 . . . . . 128 Asn H . 50156 1 550 . 1 . 1 130 130 ASN C C 13 175.125 0.000 . 1 . . . . . 128 Asn CO . 50156 1 551 . 1 . 1 130 130 ASN CA C 13 53.725 0.005 . 1 . . . . . 128 Asn CA . 50156 1 552 . 1 . 1 130 130 ASN CB C 13 36.726 0.010 . 1 . . . . . 128 Asn CB . 50156 1 553 . 1 . 1 130 130 ASN N N 15 119.786 0.282 . 1 . . . . . 128 Asn N . 50156 1 554 . 1 . 1 131 131 VAL H H 1 8.573 0.003 . 1 . . . . . 129 Val H . 50156 1 555 . 1 . 1 131 131 VAL C C 13 178.362 0.000 . 1 . . . . . 129 Val CO . 50156 1 556 . 1 . 1 131 131 VAL CA C 13 66.317 0.007 . 1 . . . . . 129 Val CA . 50156 1 557 . 1 . 1 131 131 VAL CB C 13 31.149 0.020 . 1 . . . . . 129 Val CB . 50156 1 558 . 1 . 1 131 131 VAL N N 15 115.863 0.291 . 1 . . . . . 129 Val N . 50156 1 559 . 1 . 1 132 132 GLY H H 1 8.521 0.002 . 1 . . . . . 130 Gly H . 50156 1 560 . 1 . 1 132 132 GLY C C 13 177.005 0.000 . 1 . . . . . 130 Gly CO . 50156 1 561 . 1 . 1 132 132 GLY CA C 13 46.904 0.006 . 1 . . . . . 130 Gly CA . 50156 1 562 . 1 . 1 132 132 GLY N N 15 110.993 0.272 . 1 . . . . . 130 Gly N . 50156 1 563 . 1 . 1 133 133 PHE H H 1 7.780 0.003 . 1 . . . . . 131 Phe H . 50156 1 564 . 1 . 1 133 133 PHE C C 13 179.085 0.000 . 1 . . . . . 131 Phe CO . 50156 1 565 . 1 . 1 133 133 PHE CA C 13 56.847 0.006 . 1 . . . . . 131 Phe CA . 50156 1 566 . 1 . 1 133 133 PHE CB C 13 35.540 0.001 . 1 . . . . . 131 Phe CB . 50156 1 567 . 1 . 1 133 133 PHE N N 15 125.373 0.291 . 1 . . . . . 131 Phe N . 50156 1 568 . 1 . 1 134 134 GLN H H 1 8.522 0.003 . 1 . . . . . 132 Gln H . 50156 1 569 . 1 . 1 134 134 GLN C C 13 177.701 0.000 . 1 . . . . . 132 Gln CO . 50156 1 570 . 1 . 1 134 134 GLN CA C 13 60.257 0.015 . 1 . . . . . 132 Gln CA . 50156 1 571 . 1 . 1 134 134 GLN CB C 13 26.845 0.040 . 1 . . . . . 132 Gln CB . 50156 1 572 . 1 . 1 134 134 GLN N N 15 118.748 0.303 . 1 . . . . . 132 Gln N . 50156 1 573 . 1 . 1 135 135 ARG H H 1 7.698 0.003 . 1 . . . . . 133 Arg H . 50156 1 574 . 1 . 1 135 135 ARG CA C 13 59.453 0.000 . 1 . . . . . 133 Arg CA . 50156 1 575 . 1 . 1 135 135 ARG CB C 13 28.765 0.005 . 1 . . . . . 133 Arg CB . 50156 1 576 . 1 . 1 135 135 ARG N N 15 119.527 0.309 . 1 . . . . . 133 Arg N . 50156 1 577 . 1 . 1 136 136 GLN H H 1 8.160 0.004 . 1 . . . . . 134 Gln H . 50156 1 578 . 1 . 1 136 136 GLN C C 13 180.106 0.000 . 1 . . . . . 134 Gln CO . 50156 1 579 . 1 . 1 136 136 GLN CA C 13 59.644 0.014 . 1 . . . . . 134 Gln CA . 50156 1 580 . 1 . 1 136 136 GLN CB C 13 28.434 0.011 . 1 . . . . . 134 Gln CB . 50156 1 581 . 1 . 1 136 136 GLN N N 15 119.234 0.084 . 1 . . . . . 134 Gln N . 50156 1 582 . 1 . 1 137 137 LEU H H 1 8.312 0.003 . 1 . . . . . 135 Leu H . 50156 1 583 . 1 . 1 137 137 LEU C C 13 178.105 0.000 . 1 . . . . . 135 Leu CO . 50156 1 584 . 1 . 1 137 137 LEU CA C 13 58.269 0.015 . 1 . . . . . 135 Leu CA . 50156 1 585 . 1 . 1 137 137 LEU CB C 13 41.177 0.013 . 1 . . . . . 135 Leu CB . 50156 1 586 . 1 . 1 137 137 LEU N N 15 123.179 0.315 . 1 . . . . . 135 Leu N . 50156 1 587 . 1 . 1 138 138 GLN H H 1 7.904 0.002 . 1 . . . . . 136 Gln H . 50156 1 588 . 1 . 1 138 138 GLN C C 13 179.331 0.000 . 1 . . . . . 136 Gln CO . 50156 1 589 . 1 . 1 138 138 GLN CA C 13 59.311 0.022 . 1 . . . . . 136 Gln CA . 50156 1 590 . 1 . 1 138 138 GLN CB C 13 27.726 0.005 . 1 . . . . . 136 Gln CB . 50156 1 591 . 1 . 1 138 138 GLN N N 15 120.945 0.308 . 1 . . . . . 136 Gln N . 50156 1 592 . 1 . 1 139 139 GLU H H 1 8.427 0.004 . 1 . . . . . 137 Glu H . 50156 1 593 . 1 . 1 139 139 GLU C C 13 178.738 0.000 . 1 . . . . . 137 Glu CO . 50156 1 594 . 1 . 1 139 139 GLU CA C 13 59.334 0.003 . 1 . . . . . 137 Glu CA . 50156 1 595 . 1 . 1 139 139 GLU CB C 13 28.917 0.014 . 1 . . . . . 137 Glu CB . 50156 1 596 . 1 . 1 139 139 GLU N N 15 120.425 0.288 . 1 . . . . . 137 Glu N . 50156 1 597 . 1 . 1 140 140 PHE H H 1 8.395 0.002 . 1 . . . . . 138 Phe H . 50156 1 598 . 1 . 1 140 140 PHE C C 13 178.032 0.000 . 1 . . . . . 138 Phe CO . 50156 1 599 . 1 . 1 140 140 PHE CA C 13 60.456 0.011 . 1 . . . . . 138 Phe CA . 50156 1 600 . 1 . 1 140 140 PHE CB C 13 39.608 0.042 . 1 . . . . . 138 Phe CB . 50156 1 601 . 1 . 1 140 140 PHE N N 15 122.439 0.324 . 1 . . . . . 138 Phe N . 50156 1 602 . 1 . 1 141 141 GLU H H 1 8.520 0.002 . 1 . . . . . 139 Glu H . 50156 1 603 . 1 . 1 141 141 GLU C C 13 176.855 0.000 . 1 . . . . . 139 Glu CO . 50156 1 604 . 1 . 1 141 141 GLU CA C 13 59.148 0.013 . 1 . . . . . 139 Glu CA . 50156 1 605 . 1 . 1 141 141 GLU CB C 13 29.967 0.013 . 1 . . . . . 139 Glu CB . 50156 1 606 . 1 . 1 141 141 GLU N N 15 120.773 0.302 . 1 . . . . . 139 Glu N . 50156 1 607 . 1 . 1 142 142 LYS H H 1 7.655 0.002 . 1 . . . . . 140 Lys H . 50156 1 608 . 1 . 1 142 142 LYS C C 13 178.308 0.000 . 1 . . . . . 140 Lys CO . 50156 1 609 . 1 . 1 142 142 LYS CA C 13 58.838 0.020 . 1 . . . . . 140 Lys CA . 50156 1 610 . 1 . 1 142 142 LYS CB C 13 32.781 0.014 . 1 . . . . . 140 Lys CB . 50156 1 611 . 1 . 1 142 142 LYS N N 15 115.574 0.337 . 1 . . . . . 140 Lys N . 50156 1 612 . 1 . 1 143 143 HIS H H 1 8.066 0.003 . 1 . . . . . 141 His H . 50156 1 613 . 1 . 1 143 143 HIS C C 13 176.801 0.000 . 1 . . . . . 141 His CO . 50156 1 614 . 1 . 1 143 143 HIS CA C 13 57.699 0.007 . 1 . . . . . 141 His CA . 50156 1 615 . 1 . 1 143 143 HIS CB C 13 32.504 0.009 . 1 . . . . . 141 His CB . 50156 1 616 . 1 . 1 143 143 HIS N N 15 112.627 0.303 . 1 . . . . . 141 His N . 50156 1 617 . 1 . 1 144 144 GLU H H 1 8.617 0.001 . 1 . . . . . 142 Glu H . 50156 1 618 . 1 . 1 144 144 GLU C C 13 177.969 0.000 . 1 . . . . . 142 Glu CO . 50156 1 619 . 1 . 1 144 144 GLU CA C 13 58.879 0.008 . 1 . . . . . 142 Glu CA . 50156 1 620 . 1 . 1 144 144 GLU CB C 13 32.814 0.022 . 1 . . . . . 142 Glu CB . 50156 1 621 . 1 . 1 144 144 GLU N N 15 118.426 0.285 . 1 . . . . . 142 Glu N . 50156 1 622 . 1 . 1 145 145 VAL H H 1 7.963 0.003 . 1 . . . . . 143 Val H . 50156 1 623 . 1 . 1 145 145 VAL C C 13 175.718 0.000 . 1 . . . . . 143 Val CO . 50156 1 624 . 1 . 1 145 145 VAL CA C 13 65.809 0.005 . 1 . . . . . 143 Val CA . 50156 1 625 . 1 . 1 145 145 VAL CB C 13 29.150 0.007 . 1 . . . . . 143 Val CB . 50156 1 626 . 1 . 1 145 145 VAL N N 15 121.396 0.295 . 1 . . . . . 143 Val N . 50156 1 627 . 1 . 1 146 146 HIS H H 1 7.829 0.002 . 1 . . . . . 144 His H . 50156 1 628 . 1 . 1 146 146 HIS C C 13 178.817 0.000 . 1 . . . . . 144 His CO . 50156 1 629 . 1 . 1 146 146 HIS CA C 13 60.391 0.005 . 1 . . . . . 144 His CA . 50156 1 630 . 1 . 1 146 146 HIS CB C 13 29.208 0.003 . 1 . . . . . 144 His CB . 50156 1 631 . 1 . 1 146 146 HIS N N 15 121.231 0.301 . 1 . . . . . 144 His N . 50156 1 632 . 1 . 1 147 147 GLN H H 1 7.628 0.002 . 1 . . . . . 145 Gln H . 50156 1 633 . 1 . 1 147 147 GLN C C 13 179.613 0.000 . 1 . . . . . 145 Gln CO . 50156 1 634 . 1 . 1 147 147 GLN CA C 13 58.783 0.017 . 1 . . . . . 145 Gln CA . 50156 1 635 . 1 . 1 147 147 GLN CB C 13 27.684 0.034 . 1 . . . . . 145 Gln CB . 50156 1 636 . 1 . 1 147 147 GLN N N 15 120.171 0.299 . 1 . . . . . 145 Gln N . 50156 1 637 . 1 . 1 148 148 TYR H H 1 8.680 0.003 . 1 . . . . . 146 Tyr H . 50156 1 638 . 1 . 1 148 148 TYR C C 13 178.195 0.000 . 1 . . . . . 146 Tyr CO . 50156 1 639 . 1 . 1 148 148 TYR CA C 13 61.591 0.004 . 1 . . . . . 146 Tyr CA . 50156 1 640 . 1 . 1 148 148 TYR CB C 13 36.988 0.009 . 1 . . . . . 146 Tyr CB . 50156 1 641 . 1 . 1 148 148 TYR N N 15 124.172 0.312 . 1 . . . . . 146 Tyr N . 50156 1 642 . 1 . 1 149 149 ARG H H 1 8.989 0.003 . 1 . . . . . 147 Arg H . 50156 1 643 . 1 . 1 149 149 ARG C C 13 179.408 0.000 . 1 . . . . . 147 Arg CO . 50156 1 644 . 1 . 1 149 149 ARG CA C 13 60.309 0.008 . 1 . . . . . 147 Arg CA . 50156 1 645 . 1 . 1 149 149 ARG CB C 13 29.862 0.022 . 1 . . . . . 147 Arg CB . 50156 1 646 . 1 . 1 149 149 ARG N N 15 120.141 0.293 . 1 . . . . . 147 Arg N . 50156 1 647 . 1 . 1 150 150 GLN H H 1 7.515 0.003 . 1 . . . . . 148 Gln H . 50156 1 648 . 1 . 1 150 150 GLN C C 13 177.628 0.000 . 1 . . . . . 148 Gln CO . 50156 1 649 . 1 . 1 150 150 GLN CA C 13 58.888 0.013 . 1 . . . . . 148 Gln CA . 50156 1 650 . 1 . 1 150 150 GLN CB C 13 27.596 0.003 . 1 . . . . . 148 Gln CB . 50156 1 651 . 1 . 1 150 150 GLN N N 15 119.465 0.294 . 1 . . . . . 148 Gln N . 50156 1 652 . 1 . 1 151 151 TRP H H 1 8.337 0.002 . 1 . . . . . 149 Trp H . 50156 1 653 . 1 . 1 151 151 TRP C C 13 176.735 0.000 . 1 . . . . . 149 Trp CO . 50156 1 654 . 1 . 1 151 151 TRP CA C 13 60.343 0.011 . 1 . . . . . 149 Trp CA . 50156 1 655 . 1 . 1 151 151 TRP CB C 13 26.825 0.025 . 1 . . . . . 149 Trp CB . 50156 1 656 . 1 . 1 151 151 TRP N N 15 122.649 0.255 . 1 . . . . . 149 Trp N . 50156 1 657 . 1 . 1 152 152 LEU H H 1 8.341 0.004 . 1 . . . . . 150 Leu H . 50156 1 658 . 1 . 1 152 152 LEU C C 13 180.591 0.000 . 1 . . . . . 150 Leu CO . 50156 1 659 . 1 . 1 152 152 LEU CA C 13 58.095 0.015 . 1 . . . . . 150 Leu CA . 50156 1 660 . 1 . 1 152 152 LEU CB C 13 41.629 0.028 . 1 . . . . . 150 Leu CB . 50156 1 661 . 1 . 1 152 152 LEU N N 15 119.940 0.300 . 1 . . . . . 150 Leu N . 50156 1 662 . 1 . 1 153 153 LYS H H 1 7.489 0.003 . 1 . . . . . 151 Lys H . 50156 1 663 . 1 . 1 153 153 LYS CA C 13 58.676 0.008 . 1 . . . . . 151 Lys CA . 50156 1 664 . 1 . 1 153 153 LYS CB C 13 31.619 0.007 . 1 . . . . . 151 Lys CB . 50156 1 665 . 1 . 1 153 153 LYS N N 15 118.682 0.313 . 1 . . . . . 151 Lys N . 50156 1 666 . 1 . 1 154 154 GLU H H 1 8.159 0.003 . 1 . . . . . 152 Glu H . 50156 1 667 . 1 . 1 154 154 GLU C C 13 178.635 0.000 . 1 . . . . . 152 Glu CO . 50156 1 668 . 1 . 1 154 154 GLU CA C 13 58.978 0.011 . 1 . . . . . 152 Glu CA . 50156 1 669 . 1 . 1 154 154 GLU CB C 13 28.975 0.002 . 1 . . . . . 152 Glu CB . 50156 1 670 . 1 . 1 154 154 GLU N N 15 120.111 0.397 . 1 . . . . . 152 Glu N . 50156 1 671 . 1 . 1 155 155 GLU H H 1 8.358 0.002 . 1 . . . . . 153 Glu H . 50156 1 672 . 1 . 1 155 155 GLU C C 13 177.875 0.000 . 1 . . . . . 153 Glu CO . 50156 1 673 . 1 . 1 155 155 GLU CA C 13 58.145 0.012 . 1 . . . . . 153 Glu CA . 50156 1 674 . 1 . 1 155 155 GLU CB C 13 29.544 0.009 . 1 . . . . . 153 Glu CB . 50156 1 675 . 1 . 1 155 155 GLU N N 15 117.679 0.221 . 1 . . . . . 153 Glu N . 50156 1 676 . 1 . 1 156 156 TYR H H 1 7.628 0.003 . 1 . . . . . 154 Tyr H . 50156 1 677 . 1 . 1 156 156 TYR C C 13 175.933 0.000 . 1 . . . . . 154 Tyr CO . 50156 1 678 . 1 . 1 156 156 TYR CA C 13 58.322 0.016 . 1 . . . . . 154 Tyr CA . 50156 1 679 . 1 . 1 156 156 TYR CB C 13 39.002 0.002 . 1 . . . . . 154 Tyr CB . 50156 1 680 . 1 . 1 156 156 TYR N N 15 113.909 0.275 . 1 . . . . . 154 Tyr N . 50156 1 681 . 1 . 1 157 157 GLY H H 1 7.677 0.003 . 1 . . . . . 155 Gly H . 50156 1 682 . 1 . 1 157 157 GLY CA C 13 46.459 0.000 . 1 . . . . . 155 Gly CA . 50156 1 683 . 1 . 1 157 157 GLY N N 15 116.255 0.299 . 1 . . . . . 155 Gly N . 50156 1 stop_ save_