################################### # 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 52883 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned Backbone Chemical Shifts of PstA c-di-AMP without His-Tag' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52883 1 3 '3D HNCA' . . . 52883 1 4 '3D HNCACB' . . . 52883 1 5 '3D HNCO' . . . 52883 1 6 '3D HN(CA)CO' . . . 52883 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 . . 52883 1 2 $software_2 . . 52883 1 3 $software_3 . . 52883 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 1 1 MET H H 1 8.719 0.012 . 1 . . . . . 1 MET H . 52883 1 2 . 1 . 1 1 1 MET C C 13 172.700 0.012 . 1 . . . . . 1 MET C . 52883 1 3 . 1 . 1 1 1 MET CA C 13 51.303 0.014 . 1 . . . . . 1 MET CA . 52883 1 4 . 1 . 1 1 1 MET CB C 13 32.149 0.000 . 1 . . . . . 1 MET CB . 52883 1 5 . 1 . 1 1 1 MET N N 15 120.063 0.042 . 1 . . . . . 1 MET N . 52883 1 6 . 1 . 1 2 2 LYS H H 1 9.023 0.004 . 1 . . . . . 2 LYS H . 52883 1 7 . 1 . 1 2 2 LYS C C 13 172.235 0.007 . 1 . . . . . 2 LYS C . 52883 1 8 . 1 . 1 2 2 LYS CA C 13 49.924 0.000 . 1 . . . . . 2 LYS CA . 52883 1 9 . 1 . 1 2 2 LYS CB C 13 32.434 0.000 . 1 . . . . . 2 LYS CB . 52883 1 10 . 1 . 1 2 2 LYS N N 15 117.087 0.052 . 1 . . . . . 2 LYS N . 52883 1 11 . 1 . 1 3 3 MET H H 1 9.353 0.010 . 1 . . . . . 3 MET H . 52883 1 12 . 1 . 1 3 3 MET C C 13 171.528 0.000 . 1 . . . . . 3 MET C . 52883 1 13 . 1 . 1 3 3 MET CA C 13 50.150 0.000 . 1 . . . . . 3 MET CA . 52883 1 14 . 1 . 1 3 3 MET CB C 13 29.473 0.000 . 1 . . . . . 3 MET CB . 52883 1 15 . 1 . 1 3 3 MET N N 15 120.655 0.160 . 1 . . . . . 3 MET N . 52883 1 16 . 1 . 1 4 4 ILE H H 1 9.194 0.005 . 1 . . . . . 4 ILE H . 52883 1 17 . 1 . 1 4 4 ILE C C 13 173.125 0.000 . 1 . . . . . 4 ILE C . 52883 1 18 . 1 . 1 4 4 ILE CB C 13 33.735 0.000 . 1 . . . . . 4 ILE CB . 52883 1 19 . 1 . 1 4 4 ILE N N 15 130.560 0.023 . 1 . . . . . 4 ILE N . 52883 1 20 . 1 . 1 5 5 ILE H H 1 8.905 0.003 . 1 . . . . . 5 ILE H . 52883 1 21 . 1 . 1 5 5 ILE C C 13 172.776 0.000 . 1 . . . . . 5 ILE C . 52883 1 22 . 1 . 1 5 5 ILE CB C 13 36.083 0.000 . 1 . . . . . 5 ILE CB . 52883 1 23 . 1 . 1 5 5 ILE N N 15 126.371 0.084 . 1 . . . . . 5 ILE N . 52883 1 24 . 1 . 1 6 6 ALA H H 1 9.281 0.007 . 1 . . . . . 6 ALA H . 52883 1 25 . 1 . 1 6 6 ALA C C 13 172.468 0.000 . 1 . . . . . 6 ALA C . 52883 1 26 . 1 . 1 6 6 ALA CA C 13 46.435 0.000 . 1 . . . . . 6 ALA CA . 52883 1 27 . 1 . 1 6 6 ALA CB C 13 18.033 0.000 . 1 . . . . . 6 ALA CB . 52883 1 28 . 1 . 1 6 6 ALA N N 15 128.478 0.050 . 1 . . . . . 6 ALA N . 52883 1 29 . 1 . 1 7 7 ILE H H 1 9.453 0.003 . 1 . . . . . 7 ILE H . 52883 1 30 . 1 . 1 7 7 ILE C C 13 174.647 0.000 . 1 . . . . . 7 ILE C . 52883 1 31 . 1 . 1 7 7 ILE CA C 13 59.218 0.000 . 1 . . . . . 7 ILE CA . 52883 1 32 . 1 . 1 7 7 ILE CB C 13 36.015 0.000 . 1 . . . . . 7 ILE CB . 52883 1 33 . 1 . 1 7 7 ILE N N 15 125.546 0.019 . 1 . . . . . 7 ILE N . 52883 1 34 . 1 . 1 8 8 VAL H H 1 9.533 0.003 . 1 . . . . . 8 VAL H . 52883 1 35 . 1 . 1 8 8 VAL C C 13 172.366 0.000 . 1 . . . . . 8 VAL C . 52883 1 36 . 1 . 1 8 8 VAL CA C 13 55.801 0.051 . 1 . . . . . 8 VAL CA . 52883 1 37 . 1 . 1 8 8 VAL CB C 13 31.807 0.002 . 1 . . . . . 8 VAL CB . 52883 1 38 . 1 . 1 8 8 VAL N N 15 122.251 0.055 . 1 . . . . . 8 VAL N . 52883 1 39 . 1 . 1 9 9 GLN H H 1 9.793 0.002 . 1 . . . . . 9 GLN H . 52883 1 40 . 1 . 1 9 9 GLN C C 13 176.817 0.000 . 1 . . . . . 9 GLN C . 52883 1 41 . 1 . 1 9 9 GLN CA C 13 52.213 0.017 . 1 . . . . . 9 GLN CA . 52883 1 42 . 1 . 1 9 9 GLN CB C 13 25.672 0.017 . 1 . . . . . 9 GLN CB . 52883 1 43 . 1 . 1 9 9 GLN N N 15 118.703 0.069 . 1 . . . . . 9 GLN N . 52883 1 44 . 1 . 1 10 10 ASP H H 1 9.483 0.004 . 1 . . . . . 10 ASP H . 52883 1 45 . 1 . 1 10 10 ASP C C 13 178.372 0.000 . 1 . . . . . 10 ASP C . 52883 1 46 . 1 . 1 10 10 ASP CA C 13 55.056 0.004 . 1 . . . . . 10 ASP CA . 52883 1 47 . 1 . 1 10 10 ASP CB C 13 36.400 0.000 . 1 . . . . . 10 ASP CB . 52883 1 48 . 1 . 1 10 10 ASP N N 15 124.147 0.030 . 1 . . . . . 10 ASP N . 52883 1 49 . 1 . 1 11 11 GLN H H 1 9.089 0.000 . 1 . . . . . 11 GLN H . 52883 1 50 . 1 . 1 11 11 GLN C C 13 173.954 0.000 . 1 . . . . . 11 GLN C . 52883 1 51 . 1 . 1 11 11 GLN CA C 13 55.300 0.090 . 1 . . . . . 11 GLN CA . 52883 1 52 . 1 . 1 11 11 GLN CB C 13 24.306 0.000 . 1 . . . . . 11 GLN CB . 52883 1 53 . 1 . 1 11 11 GLN N N 15 117.107 0.007 . 1 . . . . . 11 GLN N . 52883 1 54 . 1 . 1 12 12 ASP H H 1 7.551 0.004 . 1 . . . . . 12 ASP H . 52883 1 55 . 1 . 1 12 12 ASP C C 13 174.513 0.030 . 1 . . . . . 12 ASP C . 52883 1 56 . 1 . 1 12 12 ASP CA C 13 51.929 0.073 . 1 . . . . . 12 ASP CA . 52883 1 57 . 1 . 1 12 12 ASP CB C 13 39.871 0.009 . 1 . . . . . 12 ASP CB . 52883 1 58 . 1 . 1 12 12 ASP N N 15 117.914 0.037 . 1 . . . . . 12 ASP N . 52883 1 59 . 1 . 1 13 13 SER H H 1 7.735 0.005 . 1 . . . . . 13 SER H . 52883 1 60 . 1 . 1 13 13 SER CA C 13 59.857 0.045 . 1 . . . . . 13 SER CA . 52883 1 61 . 1 . 1 13 13 SER N N 15 115.086 0.038 . 1 . . . . . 13 SER N . 52883 1 62 . 1 . 1 15 15 GLU H H 1 8.358 0.006 . 1 . . . . . 15 GLU H . 52883 1 63 . 1 . 1 15 15 GLU C C 13 177.084 0.000 . 1 . . . . . 15 GLU C . 52883 1 64 . 1 . 1 15 15 GLU CA C 13 55.897 0.000 . 1 . . . . . 15 GLU CA . 52883 1 65 . 1 . 1 15 15 GLU CB C 13 25.277 0.000 . 1 . . . . . 15 GLU CB . 52883 1 66 . 1 . 1 15 15 GLU N N 15 120.083 0.038 . 1 . . . . . 15 GLU N . 52883 1 67 . 1 . 1 16 16 LEU H H 1 8.197 0.006 . 1 . . . . . 16 LEU H . 52883 1 68 . 1 . 1 16 16 LEU C C 13 175.593 0.000 . 1 . . . . . 16 LEU C . 52883 1 69 . 1 . 1 16 16 LEU CA C 13 55.004 0.000 . 1 . . . . . 16 LEU CA . 52883 1 70 . 1 . 1 16 16 LEU CB C 13 36.155 0.000 . 1 . . . . . 16 LEU CB . 52883 1 71 . 1 . 1 16 16 LEU N N 15 117.013 0.042 . 1 . . . . . 16 LEU N . 52883 1 72 . 1 . 1 17 17 ALA H H 1 8.259 0.003 . 1 . . . . . 17 ALA H . 52883 1 73 . 1 . 1 17 17 ALA C C 13 177.562 0.012 . 1 . . . . . 17 ALA C . 52883 1 74 . 1 . 1 17 17 ALA CA C 13 53.027 0.000 . 1 . . . . . 17 ALA CA . 52883 1 75 . 1 . 1 17 17 ALA CB C 13 14.101 0.000 . 1 . . . . . 17 ALA CB . 52883 1 76 . 1 . 1 17 17 ALA N N 15 120.241 0.044 . 1 . . . . . 17 ALA N . 52883 1 77 . 1 . 1 18 18 ASP H H 1 8.335 0.004 . 1 . . . . . 18 ASP H . 52883 1 78 . 1 . 1 18 18 ASP C C 13 177.183 0.000 . 1 . . . . . 18 ASP C . 52883 1 79 . 1 . 1 18 18 ASP CA C 13 54.456 0.067 . 1 . . . . . 18 ASP CA . 52883 1 80 . 1 . 1 18 18 ASP CB C 13 36.878 0.000 . 1 . . . . . 18 ASP CB . 52883 1 81 . 1 . 1 18 18 ASP N N 15 117.017 0.036 . 1 . . . . . 18 ASP N . 52883 1 82 . 1 . 1 19 19 GLN H H 1 8.483 0.001 . 1 . . . . . 19 GLN H . 52883 1 83 . 1 . 1 19 19 GLN C C 13 178.020 0.000 . 1 . . . . . 19 GLN C . 52883 1 84 . 1 . 1 19 19 GLN CA C 13 55.008 0.000 . 1 . . . . . 19 GLN CA . 52883 1 85 . 1 . 1 19 19 GLN CB C 13 24.780 0.000 . 1 . . . . . 19 GLN CB . 52883 1 86 . 1 . 1 19 19 GLN N N 15 119.170 0.015 . 1 . . . . . 19 GLN N . 52883 1 87 . 1 . 1 20 20 LEU H H 1 8.981 0.001 . 1 . . . . . 20 LEU H . 52883 1 88 . 1 . 1 20 20 LEU CA C 13 55.723 0.000 . 1 . . . . . 20 LEU CA . 52883 1 89 . 1 . 1 20 20 LEU CB C 13 36.470 0.000 . 1 . . . . . 20 LEU CB . 52883 1 90 . 1 . 1 20 20 LEU N N 15 121.874 0.005 . 1 . . . . . 20 LEU N . 52883 1 91 . 1 . 1 21 21 VAL H H 1 7.989 0.001 . 1 . . . . . 21 VAL H . 52883 1 92 . 1 . 1 21 21 VAL C C 13 179.138 0.000 . 1 . . . . . 21 VAL C . 52883 1 93 . 1 . 1 21 21 VAL CA C 13 63.542 0.000 . 1 . . . . . 21 VAL CA . 52883 1 94 . 1 . 1 21 21 VAL CB C 13 28.510 0.000 . 1 . . . . . 21 VAL CB . 52883 1 95 . 1 . 1 21 21 VAL N N 15 118.577 0.005 . 1 . . . . . 21 VAL N . 52883 1 96 . 1 . 1 22 22 LYS H H 1 8.329 0.005 . 1 . . . . . 22 LYS H . 52883 1 97 . 1 . 1 22 22 LYS C C 13 175.172 0.000 . 1 . . . . . 22 LYS C . 52883 1 98 . 1 . 1 22 22 LYS CA C 13 55.645 0.000 . 1 . . . . . 22 LYS CA . 52883 1 99 . 1 . 1 22 22 LYS CB C 13 28.331 0.000 . 1 . . . . . 22 LYS CB . 52883 1 100 . 1 . 1 22 22 LYS N N 15 120.589 0.045 . 1 . . . . . 22 LYS N . 52883 1 101 . 1 . 1 23 23 ASN H H 1 7.457 0.008 . 1 . . . . . 23 ASN H . 52883 1 102 . 1 . 1 23 23 ASN C C 13 170.024 0.000 . 1 . . . . . 23 ASN C . 52883 1 103 . 1 . 1 23 23 ASN CA C 13 50.794 0.000 . 1 . . . . . 23 ASN CA . 52883 1 104 . 1 . 1 23 23 ASN CB C 13 36.680 0.000 . 1 . . . . . 23 ASN CB . 52883 1 105 . 1 . 1 23 23 ASN N N 15 114.330 0.082 . 1 . . . . . 23 ASN N . 52883 1 106 . 1 . 1 24 24 ASN H H 1 8.186 0.004 . 1 . . . . . 24 ASN H . 52883 1 107 . 1 . 1 24 24 ASN C C 13 172.306 0.000 . 1 . . . . . 24 ASN C . 52883 1 108 . 1 . 1 24 24 ASN CA C 13 51.427 0.000 . 1 . . . . . 24 ASN CA . 52883 1 109 . 1 . 1 24 24 ASN CB C 13 33.507 0.000 . 1 . . . . . 24 ASN CB . 52883 1 110 . 1 . 1 24 24 ASN N N 15 113.680 0.048 . 1 . . . . . 24 ASN N . 52883 1 111 . 1 . 1 25 25 PHE H H 1 8.503 0.006 . 1 . . . . . 25 PHE H . 52883 1 112 . 1 . 1 25 25 PHE C C 13 172.445 0.000 . 1 . . . . . 25 PHE C . 52883 1 113 . 1 . 1 25 25 PHE CA C 13 55.047 0.000 . 1 . . . . . 25 PHE CA . 52883 1 114 . 1 . 1 25 25 PHE CB C 13 37.259 0.000 . 1 . . . . . 25 PHE CB . 52883 1 115 . 1 . 1 25 25 PHE N N 15 117.080 0.048 . 1 . . . . . 25 PHE N . 52883 1 116 . 1 . 1 26 26 ARG H H 1 8.329 0.004 . 1 . . . . . 26 ARG H . 52883 1 117 . 1 . 1 26 26 ARG C C 13 172.517 0.000 . 1 . . . . . 26 ARG C . 52883 1 118 . 1 . 1 26 26 ARG CA C 13 50.878 0.048 . 1 . . . . . 26 ARG CA . 52883 1 119 . 1 . 1 26 26 ARG CB C 13 27.979 0.000 . 1 . . . . . 26 ARG CB . 52883 1 120 . 1 . 1 26 26 ARG N N 15 120.589 0.042 . 1 . . . . . 26 ARG N . 52883 1 121 . 1 . 1 27 27 ALA H H 1 8.774 0.005 . 1 . . . . . 27 ALA H . 52883 1 122 . 1 . 1 27 27 ALA C C 13 173.653 0.000 . 1 . . . . . 27 ALA C . 52883 1 123 . 1 . 1 27 27 ALA CA C 13 48.704 0.000 . 1 . . . . . 27 ALA CA . 52883 1 124 . 1 . 1 27 27 ALA CB C 13 21.473 0.000 . 1 . . . . . 27 ALA CB . 52883 1 125 . 1 . 1 27 27 ALA N N 15 118.420 0.042 . 1 . . . . . 27 ALA N . 52883 1 126 . 1 . 1 28 28 THR H H 1 9.081 0.002 . 1 . . . . . 28 THR H . 52883 1 127 . 1 . 1 28 28 THR C C 13 169.639 0.000 . 1 . . . . . 28 THR C . 52883 1 128 . 1 . 1 28 28 THR CA C 13 60.564 0.000 . 1 . . . . . 28 THR CA . 52883 1 129 . 1 . 1 28 28 THR CB C 13 69.622 0.000 . 1 . . . . . 28 THR CB . 52883 1 130 . 1 . 1 28 28 THR N N 15 116.940 0.014 . 1 . . . . . 28 THR N . 52883 1 131 . 1 . 1 29 29 LYS H H 1 9.587 0.003 . 1 . . . . . 29 LYS H . 52883 1 132 . 1 . 1 29 29 LYS C C 13 172.512 0.005 . 1 . . . . . 29 LYS C . 52883 1 133 . 1 . 1 29 29 LYS CA C 13 52.417 0.000 . 1 . . . . . 29 LYS CA . 52883 1 134 . 1 . 1 29 29 LYS CB C 13 31.500 0.000 . 1 . . . . . 29 LYS CB . 52883 1 135 . 1 . 1 29 29 LYS N N 15 126.201 0.087 . 1 . . . . . 29 LYS N . 52883 1 136 . 1 . 1 30 30 LEU H H 1 9.335 0.002 . 1 . . . . . 30 LEU H . 52883 1 137 . 1 . 1 30 30 LEU C C 13 172.670 0.000 . 1 . . . . . 30 LEU C . 52883 1 138 . 1 . 1 30 30 LEU CB C 13 9.330 0.000 . 1 . . . . . 30 LEU CB . 52883 1 139 . 1 . 1 30 30 LEU N N 15 124.194 0.102 . 1 . . . . . 30 LEU N . 52883 1 140 . 1 . 1 31 31 ALA H H 1 8.645 0.004 . 1 . . . . . 31 ALA H . 52883 1 141 . 1 . 1 31 31 ALA C C 13 174.645 0.000 . 1 . . . . . 31 ALA C . 52883 1 142 . 1 . 1 31 31 ALA CA C 13 49.155 0.000 . 1 . . . . . 31 ALA CA . 52883 1 143 . 1 . 1 31 31 ALA CB C 13 15.153 0.000 . 1 . . . . . 31 ALA CB . 52883 1 144 . 1 . 1 31 31 ALA N N 15 125.828 0.033 . 1 . . . . . 31 ALA N . 52883 1 145 . 1 . 1 32 32 THR H H 1 8.445 0.001 . 1 . . . . . 32 THR H . 52883 1 146 . 1 . 1 32 32 THR C C 13 172.735 0.000 . 1 . . . . . 32 THR C . 52883 1 147 . 1 . 1 32 32 THR CA C 13 57.291 0.000 . 1 . . . . . 32 THR CA . 52883 1 148 . 1 . 1 32 32 THR CB C 13 68.975 0.000 . 1 . . . . . 32 THR CB . 52883 1 149 . 1 . 1 32 32 THR N N 15 116.026 0.020 . 1 . . . . . 32 THR N . 52883 1 150 . 1 . 1 33 33 THR H H 1 8.742 0.002 . 1 . . . . . 33 THR H . 52883 1 151 . 1 . 1 33 33 THR C C 13 172.316 0.000 . 1 . . . . . 33 THR C . 52883 1 152 . 1 . 1 33 33 THR CA C 13 57.937 0.000 . 1 . . . . . 33 THR CA . 52883 1 153 . 1 . 1 33 33 THR CB C 13 69.467 0.000 . 1 . . . . . 33 THR CB . 52883 1 154 . 1 . 1 33 33 THR N N 15 112.918 0.030 . 1 . . . . . 33 THR N . 52883 1 155 . 1 . 1 34 34 GLY H H 1 8.549 0.007 . 1 . . . . . 34 GLY H . 52883 1 156 . 1 . 1 34 34 GLY C C 13 174.168 0.013 . 1 . . . . . 34 GLY C . 52883 1 157 . 1 . 1 34 34 GLY CA C 13 43.288 0.000 . 1 . . . . . 34 GLY CA . 52883 1 158 . 1 . 1 34 34 GLY N N 15 111.130 0.058 . 1 . . . . . 34 GLY N . 52883 1 159 . 1 . 1 35 35 GLY H H 1 8.800 0.001 . 1 . . . . . 35 GLY H . 52883 1 160 . 1 . 1 35 35 GLY C C 13 171.863 0.000 . 1 . . . . . 35 GLY C . 52883 1 161 . 1 . 1 35 35 GLY CA C 13 43.999 0.000 . 1 . . . . . 35 GLY CA . 52883 1 162 . 1 . 1 35 35 GLY N N 15 113.641 0.067 . 1 . . . . . 35 GLY N . 52883 1 163 . 1 . 1 36 36 PHE H H 1 9.752 0.002 . 1 . . . . . 36 PHE H . 52883 1 164 . 1 . 1 36 36 PHE C C 13 175.044 0.000 . 1 . . . . . 36 PHE C . 52883 1 165 . 1 . 1 36 36 PHE CA C 13 57.501 0.000 . 1 . . . . . 36 PHE CA . 52883 1 166 . 1 . 1 36 36 PHE CB C 13 37.913 0.000 . 1 . . . . . 36 PHE CB . 52883 1 167 . 1 . 1 36 36 PHE N N 15 121.460 0.030 . 1 . . . . . 36 PHE N . 52883 1 168 . 1 . 1 37 37 LEU H H 1 8.829 0.005 . 1 . . . . . 37 LEU H . 52883 1 169 . 1 . 1 37 37 LEU C C 13 175.724 0.000 . 1 . . . . . 37 LEU C . 52883 1 170 . 1 . 1 37 37 LEU CA C 13 52.063 0.000 . 1 . . . . . 37 LEU CA . 52883 1 171 . 1 . 1 37 37 LEU CB C 13 37.946 0.000 . 1 . . . . . 37 LEU CB . 52883 1 172 . 1 . 1 37 37 LEU N N 15 116.186 0.033 . 1 . . . . . 37 LEU N . 52883 1 173 . 1 . 1 38 38 ARG H H 1 7.374 0.005 . 1 . . . . . 38 ARG H . 52883 1 174 . 1 . 1 38 38 ARG C C 13 172.484 0.000 . 1 . . . . . 38 ARG C . 52883 1 175 . 1 . 1 38 38 ARG CA C 13 53.109 0.000 . 1 . . . . . 38 ARG CA . 52883 1 176 . 1 . 1 38 38 ARG CB C 13 22.764 0.000 . 1 . . . . . 38 ARG CB . 52883 1 177 . 1 . 1 38 38 ARG N N 15 111.810 0.056 . 1 . . . . . 38 ARG N . 52883 1 178 . 1 . 1 39 39 ALA H H 1 7.824 0.006 . 1 . . . . . 39 ALA H . 52883 1 179 . 1 . 1 39 39 ALA C C 13 175.023 0.000 . 1 . . . . . 39 ALA C . 52883 1 180 . 1 . 1 39 39 ALA CA C 13 47.171 0.000 . 1 . . . . . 39 ALA CA . 52883 1 181 . 1 . 1 39 39 ALA CB C 13 18.041 0.000 . 1 . . . . . 39 ALA CB . 52883 1 182 . 1 . 1 39 39 ALA N N 15 120.821 0.007 . 1 . . . . . 39 ALA N . 52883 1 183 . 1 . 1 40 40 GLY H H 1 8.522 0.003 . 1 . . . . . 40 GLY H . 52883 1 184 . 1 . 1 40 40 GLY C C 13 171.862 0.000 . 1 . . . . . 40 GLY C . 52883 1 185 . 1 . 1 40 40 GLY CA C 13 43.273 0.000 . 1 . . . . . 40 GLY CA . 52883 1 186 . 1 . 1 40 40 GLY N N 15 107.006 0.036 . 1 . . . . . 40 GLY N . 52883 1 187 . 1 . 1 41 41 ASN H H 1 9.118 0.001 . 1 . . . . . 41 ASN H . 52883 1 188 . 1 . 1 41 41 ASN C C 13 171.701 0.000 . 1 . . . . . 41 ASN C . 52883 1 189 . 1 . 1 41 41 ASN CA C 13 49.791 0.000 . 1 . . . . . 41 ASN CA . 52883 1 190 . 1 . 1 41 41 ASN CB C 13 34.845 0.000 . 1 . . . . . 41 ASN CB . 52883 1 191 . 1 . 1 41 41 ASN N N 15 124.380 0.004 . 1 . . . . . 41 ASN N . 52883 1 192 . 1 . 1 42 42 THR H H 1 8.698 0.003 . 1 . . . . . 42 THR H . 52883 1 193 . 1 . 1 42 42 THR C C 13 169.938 0.000 . 1 . . . . . 42 THR C . 52883 1 194 . 1 . 1 42 42 THR CA C 13 59.941 0.000 . 1 . . . . . 42 THR CA . 52883 1 195 . 1 . 1 42 42 THR CB C 13 69.077 0.000 . 1 . . . . . 42 THR CB . 52883 1 196 . 1 . 1 42 42 THR N N 15 113.562 0.080 . 1 . . . . . 42 THR N . 52883 1 197 . 1 . 1 43 43 THR H H 1 8.666 0.005 . 1 . . . . . 43 THR H . 52883 1 198 . 1 . 1 43 43 THR C C 13 171.171 0.000 . 1 . . . . . 43 THR C . 52883 1 199 . 1 . 1 43 43 THR CA C 13 59.126 0.000 . 1 . . . . . 43 THR CA . 52883 1 200 . 1 . 1 43 43 THR CB C 13 66.460 0.000 . 1 . . . . . 43 THR CB . 52883 1 201 . 1 . 1 43 43 THR N N 15 123.126 0.013 . 1 . . . . . 43 THR N . 52883 1 202 . 1 . 1 44 44 PHE H H 1 9.940 0.003 . 1 . . . . . 44 PHE H . 52883 1 203 . 1 . 1 44 44 PHE C C 13 172.244 0.000 . 1 . . . . . 44 PHE C . 52883 1 204 . 1 . 1 44 44 PHE CA C 13 54.227 0.000 . 1 . . . . . 44 PHE CA . 52883 1 205 . 1 . 1 44 44 PHE CB C 13 38.327 0.000 . 1 . . . . . 44 PHE CB . 52883 1 206 . 1 . 1 44 44 PHE N N 15 125.170 0.021 . 1 . . . . . 44 PHE N . 52883 1 207 . 1 . 1 45 45 LEU H H 1 9.335 0.002 . 1 . . . . . 45 LEU H . 52883 1 208 . 1 . 1 45 45 LEU C C 13 175.173 0.000 . 1 . . . . . 45 LEU C . 52883 1 209 . 1 . 1 45 45 LEU CA C 13 51.142 0.000 . 1 . . . . . 45 LEU CA . 52883 1 210 . 1 . 1 45 45 LEU CB C 13 39.544 0.000 . 1 . . . . . 45 LEU CB . 52883 1 211 . 1 . 1 45 45 LEU N N 15 121.005 0.059 . 1 . . . . . 45 LEU N . 52883 1 212 . 1 . 1 46 46 CYS H H 1 9.457 0.003 . 1 . . . . . 46 CYS H . 52883 1 213 . 1 . 1 46 46 CYS C C 13 172.073 0.000 . 1 . . . . . 46 CYS C . 52883 1 214 . 1 . 1 46 46 CYS CA C 13 53.543 0.000 . 1 . . . . . 46 CYS CA . 52883 1 215 . 1 . 1 46 46 CYS CB C 13 27.178 0.000 . 1 . . . . . 46 CYS CB . 52883 1 216 . 1 . 1 46 46 CYS N N 15 122.289 0.040 . 1 . . . . . 46 CYS N . 52883 1 217 . 1 . 1 47 47 GLY H H 1 11.226 0.002 . 1 . . . . . 47 GLY H . 52883 1 218 . 1 . 1 47 47 GLY C C 13 172.256 0.000 . 1 . . . . . 47 GLY C . 52883 1 219 . 1 . 1 47 47 GLY CA C 13 42.148 0.000 . 1 . . . . . 47 GLY CA . 52883 1 220 . 1 . 1 47 47 GLY N N 15 119.219 0.030 . 1 . . . . . 47 GLY N . 52883 1 221 . 1 . 1 48 48 VAL H H 1 9.437 0.003 . 1 . . . . . 48 VAL H . 52883 1 222 . 1 . 1 48 48 VAL C C 13 171.135 0.000 . 1 . . . . . 48 VAL C . 52883 1 223 . 1 . 1 48 48 VAL CA C 13 56.064 0.000 . 1 . . . . . 48 VAL CA . 52883 1 224 . 1 . 1 48 48 VAL CB C 13 32.775 0.000 . 1 . . . . . 48 VAL CB . 52883 1 225 . 1 . 1 48 48 VAL N N 15 125.146 0.035 . 1 . . . . . 48 VAL N . 52883 1 226 . 1 . 1 49 49 ASN H H 1 8.535 0.011 . 1 . . . . . 49 ASN H . 52883 1 227 . 1 . 1 49 49 ASN C C 13 175.133 0.000 . 1 . . . . . 49 ASN C . 52883 1 228 . 1 . 1 49 49 ASN CA C 13 51.651 0.000 . 1 . . . . . 49 ASN CA . 52883 1 229 . 1 . 1 49 49 ASN CB C 13 36.053 0.000 . 1 . . . . . 49 ASN CB . 52883 1 230 . 1 . 1 49 49 ASN N N 15 123.339 0.082 . 1 . . . . . 49 ASN N . 52883 1 231 . 1 . 1 50 50 ASP H H 1 8.887 0.004 . 1 . . . . . 50 ASP H . 52883 1 232 . 1 . 1 50 50 ASP C C 13 174.977 0.000 . 1 . . . . . 50 ASP C . 52883 1 233 . 1 . 1 50 50 ASP CA C 13 54.254 0.000 . 1 . . . . . 50 ASP CA . 52883 1 234 . 1 . 1 50 50 ASP CB C 13 36.828 0.000 . 1 . . . . . 50 ASP CB . 52883 1 235 . 1 . 1 50 50 ASP N N 15 122.189 0.038 . 1 . . . . . 50 ASP N . 52883 1 236 . 1 . 1 51 51 ASP H H 1 8.520 0.004 . 1 . . . . . 51 ASP H . 52883 1 237 . 1 . 1 51 51 ASP C C 13 174.977 0.000 . 1 . . . . . 51 ASP C . 52883 1 238 . 1 . 1 51 51 ASP CA C 13 51.773 0.000 . 1 . . . . . 51 ASP CA . 52883 1 239 . 1 . 1 51 51 ASP CB C 13 36.556 0.000 . 1 . . . . . 51 ASP CB . 52883 1 240 . 1 . 1 51 51 ASP N N 15 116.710 0.120 . 1 . . . . . 51 ASP N . 52883 1 241 . 1 . 1 52 52 ARG H H 1 8.328 0.008 . 1 . . . . . 52 ARG H . 52883 1 242 . 1 . 1 52 52 ARG C C 13 173.955 0.000 . 1 . . . . . 52 ARG C . 52883 1 243 . 1 . 1 52 52 ARG CA C 13 53.132 0.034 . 1 . . . . . 52 ARG CA . 52883 1 244 . 1 . 1 52 52 ARG CB C 13 28.212 0.000 . 1 . . . . . 52 ARG CB . 52883 1 245 . 1 . 1 52 52 ARG N N 15 117.195 0.044 . 1 . . . . . 52 ARG N . 52883 1 246 . 1 . 1 53 53 VAL H H 1 7.366 0.002 . 1 . . . . . 53 VAL H . 52883 1 247 . 1 . 1 53 53 VAL C C 13 174.829 0.000 . 1 . . . . . 53 VAL C . 52883 1 248 . 1 . 1 53 53 VAL CA C 13 63.782 0.000 . 1 . . . . . 53 VAL CA . 52883 1 249 . 1 . 1 53 53 VAL CB C 13 28.120 0.000 . 1 . . . . . 53 VAL CB . 52883 1 250 . 1 . 1 53 53 VAL N N 15 122.055 0.018 . 1 . . . . . 53 VAL N . 52883 1 251 . 1 . 1 54 54 ASP H H 1 8.473 0.002 . 1 . . . . . 54 ASP H . 52883 1 252 . 1 . 1 54 54 ASP C C 13 177.057 0.000 . 1 . . . . . 54 ASP C . 52883 1 253 . 1 . 1 54 54 ASP CA C 13 54.854 0.000 . 1 . . . . . 54 ASP CA . 52883 1 254 . 1 . 1 54 54 ASP CB C 13 36.071 0.000 . 1 . . . . . 54 ASP CB . 52883 1 255 . 1 . 1 54 54 ASP N N 15 118.320 0.043 . 1 . . . . . 54 ASP N . 52883 1 256 . 1 . 1 55 55 GLU H H 1 7.717 0.005 . 1 . . . . . 55 GLU H . 52883 1 257 . 1 . 1 55 55 GLU C C 13 176.704 0.000 . 1 . . . . . 55 GLU C . 52883 1 258 . 1 . 1 55 55 GLU CA C 13 56.032 0.000 . 1 . . . . . 55 GLU CA . 52883 1 259 . 1 . 1 55 55 GLU CB C 13 26.303 0.000 . 1 . . . . . 55 GLU CB . 52883 1 260 . 1 . 1 55 55 GLU N N 15 120.614 0.078 . 1 . . . . . 55 GLU N . 52883 1 261 . 1 . 1 56 56 ILE H H 1 8.276 0.002 . 1 . . . . . 56 ILE H . 52883 1 262 . 1 . 1 56 56 ILE C C 13 174.834 0.000 . 1 . . . . . 56 ILE C . 52883 1 263 . 1 . 1 56 56 ILE CA C 13 62.292 0.000 . 1 . . . . . 56 ILE CA . 52883 1 264 . 1 . 1 56 56 ILE CB C 13 32.204 0.000 . 1 . . . . . 56 ILE CB . 52883 1 265 . 1 . 1 56 56 ILE N N 15 120.541 0.082 . 1 . . . . . 56 ILE N . 52883 1 266 . 1 . 1 57 57 LEU H H 1 8.034 0.001 . 1 . . . . . 57 LEU H . 52883 1 267 . 1 . 1 57 57 LEU C C 13 176.493 0.000 . 1 . . . . . 57 LEU C . 52883 1 268 . 1 . 1 57 57 LEU CA C 13 55.215 0.000 . 1 . . . . . 57 LEU CA . 52883 1 269 . 1 . 1 57 57 LEU CB C 13 36.559 0.000 . 1 . . . . . 57 LEU CB . 52883 1 270 . 1 . 1 57 57 LEU N N 15 122.426 0.008 . 1 . . . . . 57 LEU N . 52883 1 271 . 1 . 1 58 58 SER H H 1 7.662 0.006 . 1 . . . . . 58 SER H . 52883 1 272 . 1 . 1 58 58 SER C C 13 174.678 0.000 . 1 . . . . . 58 SER C . 52883 1 273 . 1 . 1 58 58 SER CA C 13 57.991 0.000 . 1 . . . . . 58 SER CA . 52883 1 274 . 1 . 1 58 58 SER CB C 13 59.349 0.000 . 1 . . . . . 58 SER CB . 52883 1 275 . 1 . 1 58 58 SER N N 15 113.483 0.031 . 1 . . . . . 58 SER N . 52883 1 276 . 1 . 1 59 59 VAL H H 1 7.689 0.004 . 1 . . . . . 59 VAL H . 52883 1 277 . 1 . 1 59 59 VAL C C 13 177.055 0.000 . 1 . . . . . 59 VAL C . 52883 1 278 . 1 . 1 59 59 VAL CA C 13 63.044 0.000 . 1 . . . . . 59 VAL CA . 52883 1 279 . 1 . 1 59 59 VAL CB C 13 28.034 0.000 . 1 . . . . . 59 VAL CB . 52883 1 280 . 1 . 1 59 59 VAL N N 15 122.224 0.019 . 1 . . . . . 59 VAL N . 52883 1 281 . 1 . 1 60 60 ILE H H 1 8.161 0.003 . 1 . . . . . 60 ILE H . 52883 1 282 . 1 . 1 60 60 ILE C C 13 175.115 0.000 . 1 . . . . . 60 ILE C . 52883 1 283 . 1 . 1 60 60 ILE CA C 13 62.870 0.000 . 1 . . . . . 60 ILE CA . 52883 1 284 . 1 . 1 60 60 ILE CB C 13 34.321 0.000 . 1 . . . . . 60 ILE CB . 52883 1 285 . 1 . 1 60 60 ILE N N 15 121.141 0.014 . 1 . . . . . 60 ILE N . 52883 1 286 . 1 . 1 61 61 ASN H H 1 8.167 0.003 . 1 . . . . . 61 ASN H . 52883 1 287 . 1 . 1 61 61 ASN C C 13 175.627 0.000 . 1 . . . . . 61 ASN C . 52883 1 288 . 1 . 1 61 61 ASN CA C 13 53.176 0.000 . 1 . . . . . 61 ASN CA . 52883 1 289 . 1 . 1 61 61 ASN CB C 13 34.906 0.000 . 1 . . . . . 61 ASN CB . 52883 1 290 . 1 . 1 61 61 ASN N N 15 118.055 0.063 . 1 . . . . . 61 ASN N . 52883 1 291 . 1 . 1 62 62 GLN H H 1 8.434 0.004 . 1 . . . . . 62 GLN H . 52883 1 292 . 1 . 1 62 62 GLN C C 13 175.554 0.000 . 1 . . . . . 62 GLN C . 52883 1 293 . 1 . 1 62 62 GLN CA C 13 55.678 0.000 . 1 . . . . . 62 GLN CA . 52883 1 294 . 1 . 1 62 62 GLN CB C 13 25.344 0.000 . 1 . . . . . 62 GLN CB . 52883 1 295 . 1 . 1 62 62 GLN N N 15 116.823 0.029 . 1 . . . . . 62 GLN N . 52883 1 296 . 1 . 1 63 63 THR H H 1 7.578 0.003 . 1 . . . . . 63 THR H . 52883 1 297 . 1 . 1 63 63 THR C C 13 173.303 0.000 . 1 . . . . . 63 THR C . 52883 1 298 . 1 . 1 63 63 THR CA C 13 62.834 0.000 . 1 . . . . . 63 THR CA . 52883 1 299 . 1 . 1 63 63 THR CB C 13 66.300 0.000 . 1 . . . . . 63 THR CB . 52883 1 300 . 1 . 1 63 63 THR N N 15 111.776 0.013 . 1 . . . . . 63 THR N . 52883 1 301 . 1 . 1 64 64 CYS H H 1 8.145 0.001 . 1 . . . . . 64 CYS H . 52883 1 302 . 1 . 1 64 64 CYS C C 13 172.741 0.000 . 1 . . . . . 64 CYS C . 52883 1 303 . 1 . 1 64 64 CYS CA C 13 56.570 0.000 . 1 . . . . . 64 CYS CA . 52883 1 304 . 1 . 1 64 64 CYS CB C 13 26.950 0.000 . 1 . . . . . 64 CYS CB . 52883 1 305 . 1 . 1 64 64 CYS N N 15 114.992 0.006 . 1 . . . . . 64 CYS N . 52883 1 306 . 1 . 1 65 65 GLY H H 1 8.072 0.001 . 1 . . . . . 65 GLY H . 52883 1 307 . 1 . 1 65 65 GLY C C 13 171.548 0.012 . 1 . . . . . 65 GLY C . 52883 1 308 . 1 . 1 65 65 GLY CA C 13 42.488 0.034 . 1 . . . . . 65 GLY CA . 52883 1 309 . 1 . 1 65 65 GLY N N 15 107.684 0.020 . 1 . . . . . 65 GLY N . 52883 1 310 . 1 . 1 66 66 ASN H H 1 8.747 0.002 . 1 . . . . . 66 ASN H . 52883 1 311 . 1 . 1 66 66 ASN HD21 H 1 6.888 0.000 . 1 . . . . . 66 ASN HD21 . 52883 1 312 . 1 . 1 66 66 ASN C C 13 173.643 0.001 . 1 . . . . . 66 ASN C . 52883 1 313 . 1 . 1 66 66 ASN CA C 13 50.401 0.032 . 1 . . . . . 66 ASN CA . 52883 1 314 . 1 . 1 66 66 ASN CB C 13 35.982 0.007 . 1 . . . . . 66 ASN CB . 52883 1 315 . 1 . 1 66 66 ASN N N 15 119.591 0.061 . 1 . . . . . 66 ASN N . 52883 1 316 . 1 . 1 66 66 ASN ND2 N 15 111.803 0.000 . 1 . . . . . 66 ASN ND2 . 52883 1 317 . 1 . 1 67 67 ARG H H 1 8.506 0.002 . 1 . . . . . 67 ARG H . 52883 1 318 . 1 . 1 67 67 ARG C C 13 174.470 0.000 . 1 . . . . . 67 ARG C . 52883 1 319 . 1 . 1 67 67 ARG CA C 13 53.392 0.000 . 1 . . . . . 67 ARG CA . 52883 1 320 . 1 . 1 67 67 ARG CB C 13 27.251 0.000 . 1 . . . . . 67 ARG CB . 52883 1 321 . 1 . 1 67 67 ARG N N 15 121.372 0.020 . 1 . . . . . 67 ARG N . 52883 1 322 . 1 . 1 73 73 PRO CB C 13 28.298 0.000 . 1 . . . . . 73 PRO CB . 52883 1 323 . 1 . 1 74 74 ILE H H 1 7.805 0.002 . 1 . . . . . 74 ILE H . 52883 1 324 . 1 . 1 74 74 ILE C C 13 173.441 0.000 . 1 . . . . . 74 ILE C . 52883 1 325 . 1 . 1 74 74 ILE CA C 13 59.909 0.000 . 1 . . . . . 74 ILE CA . 52883 1 326 . 1 . 1 74 74 ILE CB C 13 34.827 0.000 . 1 . . . . . 74 ILE CB . 52883 1 327 . 1 . 1 74 74 ILE N N 15 120.490 0.031 . 1 . . . . . 74 ILE N . 52883 1 328 . 1 . 1 75 75 THR H H 1 8.148 0.002 . 1 . . . . . 75 THR H . 52883 1 329 . 1 . 1 75 75 THR C C 13 173.799 0.000 . 1 . . . . . 75 THR C . 52883 1 330 . 1 . 1 75 75 THR N N 15 119.016 0.103 . 1 . . . . . 75 THR N . 52883 1 331 . 1 . 1 77 77 MET C C 13 174.159 0.000 . 1 . . . . . 77 MET C . 52883 1 332 . 1 . 1 77 77 MET CA C 13 51.839 0.000 . 1 . . . . . 77 MET CA . 52883 1 333 . 1 . 1 78 78 GLY H H 1 8.409 0.029 . 1 . . . . . 78 GLY H . 52883 1 334 . 1 . 1 78 78 GLY CA C 13 41.963 0.000 . 1 . . . . . 78 GLY CA . 52883 1 335 . 1 . 1 78 78 GLY N N 15 111.312 0.081 . 1 . . . . . 78 GLY N . 52883 1 336 . 1 . 1 79 79 GLY H H 1 8.500 0.008 . 1 . . . . . 79 GLY H . 52883 1 337 . 1 . 1 79 79 GLY CA C 13 42.337 0.038 . 1 . . . . . 79 GLY CA . 52883 1 338 . 1 . 1 79 79 GLY N N 15 109.727 0.012 . 1 . . . . . 79 GLY N . 52883 1 339 . 1 . 1 80 80 SER H H 1 8.240 0.010 . 1 . . . . . 80 SER H . 52883 1 340 . 1 . 1 80 80 SER CA C 13 55.475 0.000 . 1 . . . . . 80 SER CA . 52883 1 341 . 1 . 1 80 80 SER N N 15 115.070 0.154 . 1 . . . . . 80 SER N . 52883 1 342 . 1 . 1 81 81 ALA H H 1 8.564 0.000 . 1 . . . . . 81 ALA H . 52883 1 343 . 1 . 1 81 81 ALA N N 15 126.053 0.000 . 1 . . . . . 81 ALA N . 52883 1 344 . 1 . 1 88 88 PRO C C 13 174.434 0.008 . 1 . . . . . 88 PRO C . 52883 1 345 . 1 . 1 88 88 PRO CA C 13 60.257 0.000 . 1 . . . . . 88 PRO CA . 52883 1 346 . 1 . 1 89 89 VAL H H 1 7.963 0.004 . 1 . . . . . 89 VAL H . 52883 1 347 . 1 . 1 89 89 VAL C C 13 173.898 0.014 . 1 . . . . . 89 VAL C . 52883 1 348 . 1 . 1 89 89 VAL CA C 13 59.115 0.118 . 1 . . . . . 89 VAL CA . 52883 1 349 . 1 . 1 89 89 VAL CB C 13 29.380 0.002 . 1 . . . . . 89 VAL CB . 52883 1 350 . 1 . 1 89 89 VAL N N 15 118.816 0.050 . 1 . . . . . 89 VAL N . 52883 1 351 . 1 . 1 90 90 GLU H H 1 8.410 0.002 . 1 . . . . . 90 GLU H . 52883 1 352 . 1 . 1 90 90 GLU C C 13 173.888 0.013 . 1 . . . . . 90 GLU C . 52883 1 353 . 1 . 1 90 90 GLU CA C 13 53.290 0.042 . 1 . . . . . 90 GLU CA . 52883 1 354 . 1 . 1 90 90 GLU CB C 13 26.731 0.019 . 1 . . . . . 90 GLU CB . 52883 1 355 . 1 . 1 90 90 GLU N N 15 123.197 0.046 . 1 . . . . . 90 GLU N . 52883 1 356 . 1 . 1 91 91 VAL H H 1 8.046 0.002 . 1 . . . . . 91 VAL H . 52883 1 357 . 1 . 1 91 91 VAL C C 13 173.121 0.007 . 1 . . . . . 91 VAL C . 52883 1 358 . 1 . 1 91 91 VAL CA C 13 58.491 0.074 . 1 . . . . . 91 VAL CA . 52883 1 359 . 1 . 1 91 91 VAL CB C 13 30.105 0.050 . 1 . . . . . 91 VAL CB . 52883 1 360 . 1 . 1 91 91 VAL N N 15 120.224 0.042 . 1 . . . . . 91 VAL N . 52883 1 361 . 1 . 1 92 92 GLU H H 1 8.516 0.003 . 1 . . . . . 92 GLU H . 52883 1 362 . 1 . 1 92 92 GLU C C 13 173.547 0.006 . 1 . . . . . 92 GLU C . 52883 1 363 . 1 . 1 92 92 GLU CA C 13 52.689 0.023 . 1 . . . . . 92 GLU CA . 52883 1 364 . 1 . 1 92 92 GLU CB C 13 27.026 0.025 . 1 . . . . . 92 GLU CB . 52883 1 365 . 1 . 1 92 92 GLU N N 15 125.248 0.031 . 1 . . . . . 92 GLU N . 52883 1 366 . 1 . 1 93 93 VAL H H 1 8.347 0.004 . 1 . . . . . 93 VAL H . 52883 1 367 . 1 . 1 93 93 VAL C C 13 174.209 0.014 . 1 . . . . . 93 VAL C . 52883 1 368 . 1 . 1 93 93 VAL CA C 13 59.187 0.005 . 1 . . . . . 93 VAL CA . 52883 1 369 . 1 . 1 93 93 VAL CB C 13 29.619 0.006 . 1 . . . . . 93 VAL CB . 52883 1 370 . 1 . 1 93 93 VAL N N 15 123.658 0.046 . 1 . . . . . 93 VAL N . 52883 1 371 . 1 . 1 94 94 GLY H H 1 8.940 0.006 . 1 . . . . . 94 GLY H . 52883 1 372 . 1 . 1 94 94 GLY C C 13 171.657 0.007 . 1 . . . . . 94 GLY C . 52883 1 373 . 1 . 1 94 94 GLY CA C 13 41.733 0.011 . 1 . . . . . 94 GLY CA . 52883 1 374 . 1 . 1 94 94 GLY N N 15 114.580 0.087 . 1 . . . . . 94 GLY N . 52883 1 375 . 1 . 1 95 95 GLY H H 1 8.511 0.004 . 1 . . . . . 95 GLY H . 52883 1 376 . 1 . 1 95 95 GLY C C 13 172.767 0.005 . 1 . . . . . 95 GLY C . 52883 1 377 . 1 . 1 95 95 GLY CA C 13 43.463 0.024 . 1 . . . . . 95 GLY CA . 52883 1 378 . 1 . 1 95 95 GLY N N 15 109.538 0.064 . 1 . . . . . 95 GLY N . 52883 1 379 . 1 . 1 96 96 ALA H H 1 8.059 0.004 . 1 . . . . . 96 ALA H . 52883 1 380 . 1 . 1 96 96 ALA C C 13 173.476 0.001 . 1 . . . . . 96 ALA C . 52883 1 381 . 1 . 1 96 96 ALA CA C 13 48.890 0.008 . 1 . . . . . 96 ALA CA . 52883 1 382 . 1 . 1 96 96 ALA CB C 13 19.741 0.010 . 1 . . . . . 96 ALA CB . 52883 1 383 . 1 . 1 96 96 ALA N N 15 118.975 0.060 . 1 . . . . . 96 ALA N . 52883 1 384 . 1 . 1 97 97 THR H H 1 8.422 0.003 . 1 . . . . . 97 THR H . 52883 1 385 . 1 . 1 97 97 THR C C 13 170.736 0.000 . 1 . . . . . 97 THR C . 52883 1 386 . 1 . 1 97 97 THR CA C 13 60.821 0.041 . 1 . . . . . 97 THR CA . 52883 1 387 . 1 . 1 97 97 THR CB C 13 67.746 0.064 . 1 . . . . . 97 THR CB . 52883 1 388 . 1 . 1 97 97 THR N N 15 121.011 0.080 . 1 . . . . . 97 THR N . 52883 1 389 . 1 . 1 98 98 VAL H H 1 8.704 0.002 . 1 . . . . . 98 VAL H . 52883 1 390 . 1 . 1 98 98 VAL C C 13 170.979 0.000 . 1 . . . . . 98 VAL C . 52883 1 391 . 1 . 1 98 98 VAL CA C 13 57.355 0.062 . 1 . . . . . 98 VAL CA . 52883 1 392 . 1 . 1 98 98 VAL CB C 13 31.733 0.000 . 1 . . . . . 98 VAL CB . 52883 1 393 . 1 . 1 98 98 VAL N N 15 125.611 0.040 . 1 . . . . . 98 VAL N . 52883 1 394 . 1 . 1 99 99 PHE H H 1 9.398 0.010 . 1 . . . . . 99 PHE H . 52883 1 395 . 1 . 1 99 99 PHE C C 13 172.562 0.000 . 1 . . . . . 99 PHE C . 52883 1 396 . 1 . 1 99 99 PHE CA C 13 52.977 0.001 . 1 . . . . . 99 PHE CA . 52883 1 397 . 1 . 1 99 99 PHE CB C 13 38.359 0.104 . 1 . . . . . 99 PHE CB . 52883 1 398 . 1 . 1 99 99 PHE N N 15 122.757 0.124 . 1 . . . . . 99 PHE N . 52883 1 399 . 1 . 1 100 100 VAL H H 1 8.992 0.002 . 1 . . . . . 100 VAL H . 52883 1 400 . 1 . 1 100 100 VAL C C 13 173.736 0.000 . 1 . . . . . 100 VAL C . 52883 1 401 . 1 . 1 100 100 VAL CB C 13 28.964 0.000 . 1 . . . . . 100 VAL CB . 52883 1 402 . 1 . 1 100 100 VAL N N 15 121.689 0.068 . 1 . . . . . 100 VAL N . 52883 1 403 . 1 . 1 101 101 MET H H 1 9.966 0.003 . 1 . . . . . 101 MET H . 52883 1 404 . 1 . 1 101 101 MET CA C 13 50.267 0.000 . 1 . . . . . 101 MET CA . 52883 1 405 . 1 . 1 101 101 MET CB C 13 32.489 0.000 . 1 . . . . . 101 MET CB . 52883 1 406 . 1 . 1 101 101 MET N N 15 127.161 0.058 . 1 . . . . . 101 MET N . 52883 1 407 . 1 . 1 102 102 PRO C C 13 171.962 0.000 . 1 . . . . . 102 PRO C . 52883 1 408 . 1 . 1 102 102 PRO CA C 13 59.774 0.000 . 1 . . . . . 102 PRO CA . 52883 1 409 . 1 . 1 102 102 PRO CB C 13 29.030 0.000 . 1 . . . . . 102 PRO CB . 52883 1 410 . 1 . 1 103 103 VAL H H 1 7.593 0.001 . 1 . . . . . 103 VAL H . 52883 1 411 . 1 . 1 103 103 VAL C C 13 174.158 0.000 . 1 . . . . . 103 VAL C . 52883 1 412 . 1 . 1 103 103 VAL CA C 13 58.641 0.069 . 1 . . . . . 103 VAL CA . 52883 1 413 . 1 . 1 103 103 VAL CB C 13 31.985 0.081 . 1 . . . . . 103 VAL CB . 52883 1 414 . 1 . 1 103 103 VAL N N 15 115.583 0.049 . 1 . . . . . 103 VAL N . 52883 1 415 . 1 . 1 104 104 ASP H H 1 9.390 0.002 . 1 . . . . . 104 ASP H . 52883 1 416 . 1 . 1 104 104 ASP C C 13 174.430 0.000 . 1 . . . . . 104 ASP C . 52883 1 417 . 1 . 1 104 104 ASP CA C 13 54.116 0.000 . 1 . . . . . 104 ASP CA . 52883 1 418 . 1 . 1 104 104 ASP CB C 13 38.534 0.000 . 1 . . . . . 104 ASP CB . 52883 1 419 . 1 . 1 104 104 ASP N N 15 127.912 0.057 . 1 . . . . . 104 ASP N . 52883 1 420 . 1 . 1 105 105 ALA H H 1 7.956 0.002 . 1 . . . . . 105 ALA H . 52883 1 421 . 1 . 1 105 105 ALA C C 13 170.818 0.000 . 1 . . . . . 105 ALA C . 52883 1 422 . 1 . 1 105 105 ALA CA C 13 49.008 0.000 . 1 . . . . . 105 ALA CA . 52883 1 423 . 1 . 1 105 105 ALA CB C 13 19.221 0.000 . 1 . . . . . 105 ALA CB . 52883 1 424 . 1 . 1 105 105 ALA N N 15 118.538 0.016 . 1 . . . . . 105 ALA N . 52883 1 425 . 1 . 1 106 106 PHE H H 1 7.988 0.008 . 1 . . . . . 106 PHE H . 52883 1 426 . 1 . 1 106 106 PHE C C 13 170.775 0.000 . 1 . . . . . 106 PHE C . 52883 1 427 . 1 . 1 106 106 PHE CA C 13 52.368 0.000 . 1 . . . . . 106 PHE CA . 52883 1 428 . 1 . 1 106 106 PHE CB C 13 40.222 0.000 . 1 . . . . . 106 PHE CB . 52883 1 429 . 1 . 1 106 106 PHE N N 15 122.014 0.047 . 1 . . . . . 106 PHE N . 52883 1 430 . 1 . 1 107 107 HIS H H 1 8.508 0.004 . 1 . . . . . 107 HIS H . 52883 1 431 . 1 . 1 107 107 HIS C C 13 170.446 0.000 . 1 . . . . . 107 HIS C . 52883 1 432 . 1 . 1 107 107 HIS CA C 13 51.287 0.000 . 1 . . . . . 107 HIS CA . 52883 1 433 . 1 . 1 107 107 HIS CB C 13 32.235 0.000 . 1 . . . . . 107 HIS CB . 52883 1 434 . 1 . 1 107 107 HIS N N 15 124.964 0.071 . 1 . . . . . 107 HIS N . 52883 1 435 . 1 . 1 108 108 GLN H H 1 7.831 0.002 . 1 . . . . . 108 GLN H . 52883 1 436 . 1 . 1 108 108 GLN C C 13 172.024 0.000 . 1 . . . . . 108 GLN C . 52883 1 437 . 1 . 1 108 108 GLN CA C 13 51.890 0.139 . 1 . . . . . 108 GLN CA . 52883 1 438 . 1 . 1 108 108 GLN CB C 13 28.309 0.000 . 1 . . . . . 108 GLN CB . 52883 1 439 . 1 . 1 108 108 GLN N N 15 118.817 0.063 . 1 . . . . . 108 GLN N . 52883 1 440 . 1 . 1 109 109 PHE H H 1 8.778 0.004 . 1 . . . . . 109 PHE H . 52883 1 441 . 1 . 1 109 109 PHE CA C 13 54.320 0.057 . 1 . . . . . 109 PHE CA . 52883 1 442 . 1 . 1 109 109 PHE CB C 13 38.082 0.000 . 1 . . . . . 109 PHE CB . 52883 1 443 . 1 . 1 109 109 PHE N N 15 128.154 0.050 . 1 . . . . . 109 PHE N . 52883 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52883 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Assigned Backbone Chemical Shifts of PstA c-di-AMP with His-Tag' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52883 2 2 '3D CBCA(CO)NH' . . . 52883 2 3 '3D HNCA' . . . 52883 2 4 '3D HNCACB' . . . 52883 2 5 '3D HNCO' . . . 52883 2 6 '3D HN(CA)CO' . . . 52883 2 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 . . 52883 2 2 $software_2 . . 52883 2 3 $software_3 . . 52883 2 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 . 2 . 2 21 21 MET H H 1 8.718 0.001 . 1 . . . . . 1 MET H . 52883 2 2 . 2 . 2 21 21 MET C C 13 172.657 0.020 . 1 . . . . . 1 MET C . 52883 2 3 . 2 . 2 21 21 MET CA C 13 51.389 0.099 . 1 . . . . . 1 MET CA . 52883 2 4 . 2 . 2 21 21 MET CB C 13 32.114 0.016 . 1 . . . . . 1 MET CB . 52883 2 5 . 2 . 2 21 21 MET N N 15 119.909 0.047 . 1 . . . . . 1 MET N . 52883 2 6 . 2 . 2 22 22 LYS H H 1 9.042 0.004 . 1 . . . . . 2 LYS H . 52883 2 7 . 2 . 2 22 22 LYS C C 13 172.215 0.016 . 1 . . . . . 2 LYS C . 52883 2 8 . 2 . 2 22 22 LYS CA C 13 49.903 0.049 . 1 . . . . . 2 LYS CA . 52883 2 9 . 2 . 2 22 22 LYS CB C 13 32.490 0.023 . 1 . . . . . 2 LYS CB . 52883 2 10 . 2 . 2 22 22 LYS N N 15 117.158 0.039 . 1 . . . . . 2 LYS N . 52883 2 11 . 2 . 2 23 23 MET H H 1 9.376 0.007 . 1 . . . . . 3 MET H . 52883 2 12 . 2 . 2 23 23 MET C C 13 171.424 0.011 . 1 . . . . . 3 MET C . 52883 2 13 . 2 . 2 23 23 MET CA C 13 49.934 0.000 . 1 . . . . . 3 MET CA . 52883 2 14 . 2 . 2 23 23 MET CB C 13 29.384 0.043 . 1 . . . . . 3 MET CB . 52883 2 15 . 2 . 2 23 23 MET N N 15 120.592 0.056 . 1 . . . . . 3 MET N . 52883 2 16 . 2 . 2 24 24 ILE H H 1 9.210 0.010 . 1 . . . . . 4 ILE H . 52883 2 17 . 2 . 2 24 24 ILE C C 13 173.051 0.000 . 1 . . . . . 4 ILE C . 52883 2 18 . 2 . 2 24 24 ILE CA C 13 55.199 0.040 . 1 . . . . . 4 ILE CA . 52883 2 19 . 2 . 2 24 24 ILE CB C 13 33.821 0.047 . 1 . . . . . 4 ILE CB . 52883 2 20 . 2 . 2 24 24 ILE N N 15 130.586 0.049 . 1 . . . . . 4 ILE N . 52883 2 21 . 2 . 2 25 25 ILE H H 1 8.918 0.007 . 1 . . . . . 5 ILE H . 52883 2 22 . 2 . 2 25 25 ILE C C 13 172.726 0.000 . 1 . . . . . 5 ILE C . 52883 2 23 . 2 . 2 25 25 ILE CA C 13 57.431 0.018 . 1 . . . . . 5 ILE CA . 52883 2 24 . 2 . 2 25 25 ILE CB C 13 35.872 0.070 . 1 . . . . . 5 ILE CB . 52883 2 25 . 2 . 2 25 25 ILE N N 15 126.364 0.067 . 1 . . . . . 5 ILE N . 52883 2 26 . 2 . 2 26 26 ALA H H 1 9.318 0.006 . 1 . . . . . 6 ALA H . 52883 2 27 . 2 . 2 26 26 ALA C C 13 172.383 0.000 . 1 . . . . . 6 ALA C . 52883 2 28 . 2 . 2 26 26 ALA CA C 13 46.476 0.152 . 1 . . . . . 6 ALA CA . 52883 2 29 . 2 . 2 26 26 ALA CB C 13 17.656 0.004 . 1 . . . . . 6 ALA CB . 52883 2 30 . 2 . 2 26 26 ALA N N 15 128.528 0.034 . 1 . . . . . 6 ALA N . 52883 2 31 . 2 . 2 27 27 ILE H H 1 9.491 0.005 . 1 . . . . . 7 ILE H . 52883 2 32 . 2 . 2 27 27 ILE C C 13 174.656 0.000 . 1 . . . . . 7 ILE C . 52883 2 33 . 2 . 2 27 27 ILE CA C 13 59.362 0.068 . 1 . . . . . 7 ILE CA . 52883 2 34 . 2 . 2 27 27 ILE CB C 13 35.858 0.009 . 1 . . . . . 7 ILE CB . 52883 2 35 . 2 . 2 27 27 ILE N N 15 125.602 0.034 . 1 . . . . . 7 ILE N . 52883 2 36 . 2 . 2 28 28 VAL H H 1 9.559 0.004 . 1 . . . . . 8 VAL H . 52883 2 37 . 2 . 2 28 28 VAL C C 13 172.314 0.020 . 1 . . . . . 8 VAL C . 52883 2 38 . 2 . 2 28 28 VAL CA C 13 55.893 0.071 . 1 . . . . . 8 VAL CA . 52883 2 39 . 2 . 2 28 28 VAL CB C 13 31.544 0.023 . 1 . . . . . 8 VAL CB . 52883 2 40 . 2 . 2 28 28 VAL N N 15 122.329 0.017 . 1 . . . . . 8 VAL N . 52883 2 41 . 2 . 2 29 29 GLN H H 1 9.866 0.002 . 1 . . . . . 9 GLN H . 52883 2 42 . 2 . 2 29 29 GLN C C 13 176.897 0.024 . 1 . . . . . 9 GLN C . 52883 2 43 . 2 . 2 29 29 GLN CA C 13 52.303 0.149 . 1 . . . . . 9 GLN CA . 52883 2 44 . 2 . 2 29 29 GLN CB C 13 25.435 0.015 . 1 . . . . . 9 GLN CB . 52883 2 45 . 2 . 2 29 29 GLN N N 15 118.662 0.049 . 1 . . . . . 9 GLN N . 52883 2 46 . 2 . 2 30 30 ASP H H 1 9.508 0.005 . 1 . . . . . 10 ASP H . 52883 2 47 . 2 . 2 30 30 ASP C C 13 178.425 0.052 . 1 . . . . . 10 ASP C . 52883 2 48 . 2 . 2 30 30 ASP CA C 13 55.329 0.128 . 1 . . . . . 10 ASP CA . 52883 2 49 . 2 . 2 30 30 ASP CB C 13 36.282 0.099 . 1 . . . . . 10 ASP CB . 52883 2 50 . 2 . 2 30 30 ASP N N 15 124.211 0.032 . 1 . . . . . 10 ASP N . 52883 2 51 . 2 . 2 31 31 GLN H H 1 9.116 0.002 . 1 . . . . . 11 GLN H . 52883 2 52 . 2 . 2 31 31 GLN C C 13 173.899 0.000 . 1 . . . . . 11 GLN C . 52883 2 53 . 2 . 2 31 31 GLN CA C 13 55.420 0.019 . 1 . . . . . 11 GLN CA . 52883 2 54 . 2 . 2 31 31 GLN CB C 13 24.230 0.014 . 1 . . . . . 11 GLN CB . 52883 2 55 . 2 . 2 31 31 GLN N N 15 117.085 0.038 . 1 . . . . . 11 GLN N . 52883 2 56 . 2 . 2 32 32 ASP H H 1 7.551 0.004 . 1 . . . . . 12 ASP H . 52883 2 57 . 2 . 2 32 32 ASP C C 13 174.492 0.000 . 1 . . . . . 12 ASP C . 52883 2 58 . 2 . 2 32 32 ASP CA C 13 52.091 0.092 . 1 . . . . . 12 ASP CA . 52883 2 59 . 2 . 2 32 32 ASP CB C 13 39.952 0.053 . 1 . . . . . 12 ASP CB . 52883 2 60 . 2 . 2 32 32 ASP N N 15 117.935 0.028 . 1 . . . . . 12 ASP N . 52883 2 61 . 2 . 2 33 33 SER H H 1 7.742 0.010 . 1 . . . . . 13 SER H . 52883 2 62 . 2 . 2 33 33 SER CA C 13 59.830 0.089 . 1 . . . . . 13 SER CA . 52883 2 63 . 2 . 2 33 33 SER CB C 13 60.947 0.000 . 1 . . . . . 13 SER CB . 52883 2 64 . 2 . 2 33 33 SER N N 15 115.054 0.045 . 1 . . . . . 13 SER N . 52883 2 65 . 2 . 2 34 34 GLN C C 13 175.358 0.000 . 1 . . . . . 14 GLN C . 52883 2 66 . 2 . 2 34 34 GLN CA C 13 53.400 0.175 . 1 . . . . . 14 GLN CA . 52883 2 67 . 2 . 2 34 34 GLN CB C 13 24.695 0.000 . 1 . . . . . 14 GLN CB . 52883 2 68 . 2 . 2 35 35 GLU H H 1 8.377 0.003 . 1 . . . . . 15 GLU H . 52883 2 69 . 2 . 2 35 35 GLU C C 13 177.103 0.047 . 1 . . . . . 15 GLU C . 52883 2 70 . 2 . 2 35 35 GLU CA C 13 55.916 0.046 . 1 . . . . . 15 GLU CA . 52883 2 71 . 2 . 2 35 35 GLU CB C 13 25.290 0.015 . 1 . . . . . 15 GLU CB . 52883 2 72 . 2 . 2 35 35 GLU N N 15 120.171 0.042 . 1 . . . . . 15 GLU N . 52883 2 73 . 2 . 2 36 36 LEU H H 1 8.166 0.002 . 1 . . . . . 16 LEU H . 52883 2 74 . 2 . 2 36 36 LEU C C 13 175.560 0.000 . 1 . . . . . 16 LEU C . 52883 2 75 . 2 . 2 36 36 LEU CA C 13 55.129 0.117 . 1 . . . . . 16 LEU CA . 52883 2 76 . 2 . 2 36 36 LEU CB C 13 35.960 0.002 . 1 . . . . . 16 LEU CB . 52883 2 77 . 2 . 2 36 36 LEU N N 15 117.075 0.072 . 1 . . . . . 16 LEU N . 52883 2 78 . 2 . 2 37 37 ALA H H 1 8.296 0.002 . 1 . . . . . 17 ALA H . 52883 2 79 . 2 . 2 37 37 ALA C C 13 177.622 0.035 . 1 . . . . . 17 ALA C . 52883 2 80 . 2 . 2 37 37 ALA CA C 13 52.968 0.097 . 1 . . . . . 17 ALA CA . 52883 2 81 . 2 . 2 37 37 ALA CB C 13 13.890 0.009 . 1 . . . . . 17 ALA CB . 52883 2 82 . 2 . 2 37 37 ALA N N 15 120.257 0.020 . 1 . . . . . 17 ALA N . 52883 2 83 . 2 . 2 38 38 ASP H H 1 8.359 0.004 . 1 . . . . . 18 ASP H . 52883 2 84 . 2 . 2 38 38 ASP C C 13 177.300 0.056 . 1 . . . . . 18 ASP C . 52883 2 85 . 2 . 2 38 38 ASP CA C 13 54.603 0.023 . 1 . . . . . 18 ASP CA . 52883 2 86 . 2 . 2 38 38 ASP CB C 13 37.216 0.029 . 1 . . . . . 18 ASP CB . 52883 2 87 . 2 . 2 38 38 ASP N N 15 117.118 0.053 . 1 . . . . . 18 ASP N . 52883 2 88 . 2 . 2 39 39 GLN H H 1 8.491 0.002 . 1 . . . . . 19 GLN H . 52883 2 89 . 2 . 2 39 39 GLN C C 13 177.998 0.051 . 1 . . . . . 19 GLN C . 52883 2 90 . 2 . 2 39 39 GLN CA C 13 55.205 0.060 . 1 . . . . . 19 GLN CA . 52883 2 91 . 2 . 2 39 39 GLN CB C 13 24.667 0.075 . 1 . . . . . 19 GLN CB . 52883 2 92 . 2 . 2 39 39 GLN N N 15 119.292 0.045 . 1 . . . . . 19 GLN N . 52883 2 93 . 2 . 2 40 40 LEU H H 1 9.006 0.003 . 1 . . . . . 20 LEU H . 52883 2 94 . 2 . 2 40 40 LEU C C 13 172.589 0.002 . 1 . . . . . 20 LEU C . 52883 2 95 . 2 . 2 40 40 LEU CA C 13 55.953 0.047 . 1 . . . . . 20 LEU CA . 52883 2 96 . 2 . 2 40 40 LEU CB C 13 36.450 0.104 . 1 . . . . . 20 LEU CB . 52883 2 97 . 2 . 2 40 40 LEU N N 15 121.907 0.042 . 1 . . . . . 20 LEU N . 52883 2 98 . 2 . 2 41 41 VAL H H 1 8.004 0.004 . 1 . . . . . 21 VAL H . 52883 2 99 . 2 . 2 41 41 VAL C C 13 179.214 0.000 . 1 . . . . . 21 VAL C . 52883 2 100 . 2 . 2 41 41 VAL CA C 13 63.695 0.033 . 1 . . . . . 21 VAL CA . 52883 2 101 . 2 . 2 41 41 VAL CB C 13 28.374 0.000 . 1 . . . . . 21 VAL CB . 52883 2 102 . 2 . 2 41 41 VAL N N 15 118.453 0.158 . 1 . . . . . 21 VAL N . 52883 2 103 . 2 . 2 42 42 LYS H H 1 8.338 0.009 . 1 . . . . . 22 LYS H . 52883 2 104 . 2 . 2 42 42 LYS C C 13 175.174 0.011 . 1 . . . . . 22 LYS C . 52883 2 105 . 2 . 2 42 42 LYS CA C 13 56.194 0.085 . 1 . . . . . 22 LYS CA . 52883 2 106 . 2 . 2 42 42 LYS CB C 13 28.708 0.076 . 1 . . . . . 22 LYS CB . 52883 2 107 . 2 . 2 42 42 LYS N N 15 120.694 0.043 . 1 . . . . . 22 LYS N . 52883 2 108 . 2 . 2 43 43 ASN H H 1 7.469 0.003 . 1 . . . . . 23 ASN H . 52883 2 109 . 2 . 2 43 43 ASN C C 13 169.980 0.000 . 1 . . . . . 23 ASN C . 52883 2 110 . 2 . 2 43 43 ASN CA C 13 50.919 0.127 . 1 . . . . . 23 ASN CA . 52883 2 111 . 2 . 2 43 43 ASN CB C 13 36.818 0.062 . 1 . . . . . 23 ASN CB . 52883 2 112 . 2 . 2 43 43 ASN N N 15 114.362 0.035 . 1 . . . . . 23 ASN N . 52883 2 113 . 2 . 2 44 44 ASN H H 1 8.182 0.006 . 1 . . . . . 24 ASN H . 52883 2 114 . 2 . 2 44 44 ASN C C 13 172.267 0.069 . 1 . . . . . 24 ASN C . 52883 2 115 . 2 . 2 44 44 ASN CA C 13 51.518 0.040 . 1 . . . . . 24 ASN CA . 52883 2 116 . 2 . 2 44 44 ASN CB C 13 33.399 0.091 . 1 . . . . . 24 ASN CB . 52883 2 117 . 2 . 2 44 44 ASN N N 15 113.642 0.025 . 1 . . . . . 24 ASN N . 52883 2 118 . 2 . 2 45 45 PHE H H 1 8.516 0.003 . 1 . . . . . 25 PHE H . 52883 2 119 . 2 . 2 45 45 PHE C C 13 172.401 0.007 . 1 . . . . . 25 PHE C . 52883 2 120 . 2 . 2 45 45 PHE CA C 13 55.240 0.095 . 1 . . . . . 25 PHE CA . 52883 2 121 . 2 . 2 45 45 PHE CB C 13 37.353 0.035 . 1 . . . . . 25 PHE CB . 52883 2 122 . 2 . 2 45 45 PHE N N 15 117.149 0.078 . 1 . . . . . 25 PHE N . 52883 2 123 . 2 . 2 46 46 ARG H H 1 8.375 0.003 . 1 . . . . . 26 ARG H . 52883 2 124 . 2 . 2 46 46 ARG C C 13 172.444 0.000 . 1 . . . . . 26 ARG C . 52883 2 125 . 2 . 2 46 46 ARG CA C 13 50.947 0.095 . 1 . . . . . 26 ARG CA . 52883 2 126 . 2 . 2 46 46 ARG CB C 13 27.899 0.041 . 1 . . . . . 26 ARG CB . 52883 2 127 . 2 . 2 46 46 ARG N N 15 120.698 0.044 . 1 . . . . . 26 ARG N . 52883 2 128 . 2 . 2 47 47 ALA H H 1 8.769 0.009 . 1 . . . . . 27 ALA H . 52883 2 129 . 2 . 2 47 47 ALA C C 13 173.715 0.084 . 1 . . . . . 27 ALA C . 52883 2 130 . 2 . 2 47 47 ALA CA C 13 48.487 0.068 . 1 . . . . . 27 ALA CA . 52883 2 131 . 2 . 2 47 47 ALA CB C 13 21.364 0.015 . 1 . . . . . 27 ALA CB . 52883 2 132 . 2 . 2 47 47 ALA N N 15 118.367 0.038 . 1 . . . . . 27 ALA N . 52883 2 133 . 2 . 2 48 48 THR H H 1 9.100 0.004 . 1 . . . . . 28 THR H . 52883 2 134 . 2 . 2 48 48 THR C C 13 169.529 0.000 . 1 . . . . . 28 THR C . 52883 2 135 . 2 . 2 48 48 THR CA C 13 60.844 0.138 . 1 . . . . . 28 THR CA . 52883 2 136 . 2 . 2 48 48 THR CB C 13 69.863 0.021 . 1 . . . . . 28 THR CB . 52883 2 137 . 2 . 2 48 48 THR N N 15 116.967 0.057 . 1 . . . . . 28 THR N . 52883 2 138 . 2 . 2 49 49 LYS H H 1 9.610 0.005 . 1 . . . . . 29 LYS H . 52883 2 139 . 2 . 2 49 49 LYS C C 13 172.384 0.006 . 1 . . . . . 29 LYS C . 52883 2 140 . 2 . 2 49 49 LYS CA C 13 52.477 0.051 . 1 . . . . . 29 LYS CA . 52883 2 141 . 2 . 2 49 49 LYS CB C 13 31.334 0.000 . 1 . . . . . 29 LYS CB . 52883 2 142 . 2 . 2 49 49 LYS N N 15 126.358 0.024 . 1 . . . . . 29 LYS N . 52883 2 143 . 2 . 2 50 50 LEU H H 1 9.354 0.006 . 1 . . . . . 30 LEU H . 52883 2 144 . 2 . 2 50 50 LEU C C 13 172.624 0.017 . 1 . . . . . 30 LEU C . 52883 2 145 . 2 . 2 50 50 LEU CA C 13 51.435 0.009 . 1 . . . . . 30 LEU CA . 52883 2 146 . 2 . 2 50 50 LEU CB C 13 40.186 0.003 . 1 . . . . . 30 LEU CB . 52883 2 147 . 2 . 2 50 50 LEU N N 15 124.323 0.018 . 1 . . . . . 30 LEU N . 52883 2 148 . 2 . 2 51 51 ALA H H 1 8.669 0.001 . 1 . . . . . 31 ALA H . 52883 2 149 . 2 . 2 51 51 ALA C C 13 174.604 0.027 . 1 . . . . . 31 ALA C . 52883 2 150 . 2 . 2 51 51 ALA CA C 13 49.240 0.087 . 1 . . . . . 31 ALA CA . 52883 2 151 . 2 . 2 51 51 ALA CB C 13 14.973 0.002 . 1 . . . . . 31 ALA CB . 52883 2 152 . 2 . 2 51 51 ALA N N 15 125.880 0.045 . 1 . . . . . 31 ALA N . 52883 2 153 . 2 . 2 52 52 THR H H 1 8.458 0.007 . 1 . . . . . 32 THR H . 52883 2 154 . 2 . 2 52 52 THR C C 13 172.685 0.005 . 1 . . . . . 32 THR C . 52883 2 155 . 2 . 2 52 52 THR CA C 13 57.476 0.047 . 1 . . . . . 32 THR CA . 52883 2 156 . 2 . 2 52 52 THR CB C 13 69.317 0.003 . 1 . . . . . 32 THR CB . 52883 2 157 . 2 . 2 52 52 THR N N 15 116.037 0.021 . 1 . . . . . 32 THR N . 52883 2 158 . 2 . 2 53 53 THR H H 1 8.758 0.004 . 1 . . . . . 33 THR H . 52883 2 159 . 2 . 2 53 53 THR C C 13 172.250 0.014 . 1 . . . . . 33 THR C . 52883 2 160 . 2 . 2 53 53 THR CA C 13 58.151 0.042 . 1 . . . . . 33 THR CA . 52883 2 161 . 2 . 2 53 53 THR CB C 13 70.012 0.103 . 1 . . . . . 33 THR CB . 52883 2 162 . 2 . 2 53 53 THR N N 15 112.888 0.071 . 1 . . . . . 33 THR N . 52883 2 163 . 2 . 2 54 54 GLY H H 1 8.563 0.006 . 1 . . . . . 34 GLY H . 52883 2 164 . 2 . 2 54 54 GLY C C 13 174.156 0.001 . 1 . . . . . 34 GLY C . 52883 2 165 . 2 . 2 54 54 GLY CA C 13 43.239 0.102 . 1 . . . . . 34 GLY CA . 52883 2 166 . 2 . 2 54 54 GLY N N 15 111.132 0.045 . 1 . . . . . 34 GLY N . 52883 2 167 . 2 . 2 55 55 GLY H H 1 8.804 0.005 . 1 . . . . . 35 GLY H . 52883 2 168 . 2 . 2 55 55 GLY C C 13 171.787 0.011 . 1 . . . . . 35 GLY C . 52883 2 169 . 2 . 2 55 55 GLY CA C 13 43.985 0.132 . 1 . . . . . 35 GLY CA . 52883 2 170 . 2 . 2 55 55 GLY N N 15 113.608 0.077 . 1 . . . . . 35 GLY N . 52883 2 171 . 2 . 2 56 56 PHE H H 1 9.749 0.003 . 1 . . . . . 36 PHE H . 52883 2 172 . 2 . 2 56 56 PHE C C 13 175.093 0.000 . 1 . . . . . 36 PHE C . 52883 2 173 . 2 . 2 56 56 PHE CA C 13 57.864 0.125 . 1 . . . . . 36 PHE CA . 52883 2 174 . 2 . 2 56 56 PHE CB C 13 37.836 0.004 . 1 . . . . . 36 PHE CB . 52883 2 175 . 2 . 2 56 56 PHE N N 15 121.432 0.012 . 1 . . . . . 36 PHE N . 52883 2 176 . 2 . 2 57 57 LEU H H 1 8.860 0.006 . 1 . . . . . 37 LEU H . 52883 2 177 . 2 . 2 57 57 LEU C C 13 175.805 0.000 . 1 . . . . . 37 LEU C . 52883 2 178 . 2 . 2 57 57 LEU CA C 13 52.255 0.171 . 1 . . . . . 37 LEU CA . 52883 2 179 . 2 . 2 57 57 LEU CB C 13 37.847 0.005 . 1 . . . . . 37 LEU CB . 52883 2 180 . 2 . 2 57 57 LEU N N 15 116.444 0.062 . 1 . . . . . 37 LEU N . 52883 2 181 . 2 . 2 58 58 ARG H H 1 7.384 0.008 . 1 . . . . . 38 ARG H . 52883 2 182 . 2 . 2 58 58 ARG C C 13 172.483 0.138 . 1 . . . . . 38 ARG C . 52883 2 183 . 2 . 2 58 58 ARG CA C 13 53.215 0.215 . 1 . . . . . 38 ARG CA . 52883 2 184 . 2 . 2 58 58 ARG CB C 13 22.676 0.011 . 1 . . . . . 38 ARG CB . 52883 2 185 . 2 . 2 58 58 ARG N N 15 112.084 0.045 . 1 . . . . . 38 ARG N . 52883 2 186 . 2 . 2 59 59 ALA H H 1 7.862 0.010 . 1 . . . . . 39 ALA H . 52883 2 187 . 2 . 2 59 59 ALA C C 13 174.985 0.021 . 1 . . . . . 39 ALA C . 52883 2 188 . 2 . 2 59 59 ALA CA C 13 46.949 0.012 . 1 . . . . . 39 ALA CA . 52883 2 189 . 2 . 2 59 59 ALA CB C 13 17.780 0.002 . 1 . . . . . 39 ALA CB . 52883 2 190 . 2 . 2 59 59 ALA N N 15 120.830 0.099 . 1 . . . . . 39 ALA N . 52883 2 191 . 2 . 2 60 60 GLY H H 1 8.551 0.005 . 1 . . . . . 40 GLY H . 52883 2 192 . 2 . 2 60 60 GLY C C 13 171.782 0.008 . 1 . . . . . 40 GLY C . 52883 2 193 . 2 . 2 60 60 GLY CA C 13 43.004 0.051 . 1 . . . . . 40 GLY CA . 52883 2 194 . 2 . 2 60 60 GLY N N 15 107.103 0.064 . 1 . . . . . 40 GLY N . 52883 2 195 . 2 . 2 61 61 ASN H H 1 9.139 0.005 . 1 . . . . . 41 ASN H . 52883 2 196 . 2 . 2 61 61 ASN C C 13 171.618 0.027 . 1 . . . . . 41 ASN C . 52883 2 197 . 2 . 2 61 61 ASN CA C 13 49.713 0.055 . 1 . . . . . 41 ASN CA . 52883 2 198 . 2 . 2 61 61 ASN CB C 13 34.745 0.026 . 1 . . . . . 41 ASN CB . 52883 2 199 . 2 . 2 61 61 ASN N N 15 124.428 0.014 . 1 . . . . . 41 ASN N . 52883 2 200 . 2 . 2 62 62 THR H H 1 8.731 0.007 . 1 . . . . . 42 THR H . 52883 2 201 . 2 . 2 62 62 THR C C 13 169.745 0.062 . 1 . . . . . 42 THR C . 52883 2 202 . 2 . 2 62 62 THR CA C 13 60.031 0.056 . 1 . . . . . 42 THR CA . 52883 2 203 . 2 . 2 62 62 THR CB C 13 69.358 0.017 . 1 . . . . . 42 THR CB . 52883 2 204 . 2 . 2 62 62 THR N N 15 113.634 0.041 . 1 . . . . . 42 THR N . 52883 2 205 . 2 . 2 63 63 THR H H 1 8.673 0.006 . 1 . . . . . 43 THR H . 52883 2 206 . 2 . 2 63 63 THR C C 13 171.132 0.035 . 1 . . . . . 43 THR C . 52883 2 207 . 2 . 2 63 63 THR CA C 13 59.266 0.071 . 1 . . . . . 43 THR CA . 52883 2 208 . 2 . 2 63 63 THR CB C 13 66.813 0.048 . 1 . . . . . 43 THR CB . 52883 2 209 . 2 . 2 63 63 THR N N 15 123.136 0.027 . 1 . . . . . 43 THR N . 52883 2 210 . 2 . 2 64 64 PHE H H 1 9.955 0.004 . 1 . . . . . 44 PHE H . 52883 2 211 . 2 . 2 64 64 PHE C C 13 172.178 0.000 . 1 . . . . . 44 PHE C . 52883 2 212 . 2 . 2 64 64 PHE CA C 13 54.052 0.034 . 1 . . . . . 44 PHE CA . 52883 2 213 . 2 . 2 64 64 PHE CB C 13 38.357 0.143 . 1 . . . . . 44 PHE CB . 52883 2 214 . 2 . 2 64 64 PHE N N 15 125.127 0.045 . 1 . . . . . 44 PHE N . 52883 2 215 . 2 . 2 65 65 LEU H H 1 9.355 0.004 . 1 . . . . . 45 LEU H . 52883 2 216 . 2 . 2 65 65 LEU C C 13 175.118 0.048 . 1 . . . . . 45 LEU C . 52883 2 217 . 2 . 2 65 65 LEU CA C 13 51.110 0.134 . 1 . . . . . 45 LEU CA . 52883 2 218 . 2 . 2 65 65 LEU CB C 13 39.366 0.022 . 1 . . . . . 45 LEU CB . 52883 2 219 . 2 . 2 65 65 LEU N N 15 121.028 0.034 . 1 . . . . . 45 LEU N . 52883 2 220 . 2 . 2 66 66 CYS H H 1 9.478 0.004 . 1 . . . . . 46 CYS H . 52883 2 221 . 2 . 2 66 66 CYS C C 13 172.035 0.006 . 1 . . . . . 46 CYS C . 52883 2 222 . 2 . 2 66 66 CYS CA C 13 53.791 0.084 . 1 . . . . . 46 CYS CA . 52883 2 223 . 2 . 2 66 66 CYS CB C 13 27.130 0.000 . 1 . . . . . 46 CYS CB . 52883 2 224 . 2 . 2 66 66 CYS N N 15 122.337 0.024 . 1 . . . . . 46 CYS N . 52883 2 225 . 2 . 2 67 67 GLY H H 1 11.247 0.009 . 1 . . . . . 47 GLY H . 52883 2 226 . 2 . 2 67 67 GLY C C 13 172.120 0.000 . 1 . . . . . 47 GLY C . 52883 2 227 . 2 . 2 67 67 GLY CA C 13 42.071 0.130 . 1 . . . . . 47 GLY CA . 52883 2 228 . 2 . 2 67 67 GLY N N 15 119.237 0.035 . 1 . . . . . 47 GLY N . 52883 2 229 . 2 . 2 68 68 VAL H H 1 9.438 0.005 . 1 . . . . . 48 VAL H . 52883 2 230 . 2 . 2 68 68 VAL C C 13 171.157 0.000 . 1 . . . . . 48 VAL C . 52883 2 231 . 2 . 2 68 68 VAL CA C 13 56.271 0.079 . 1 . . . . . 48 VAL CA . 52883 2 232 . 2 . 2 68 68 VAL CB C 13 32.741 0.046 . 1 . . . . . 48 VAL CB . 52883 2 233 . 2 . 2 68 68 VAL N N 15 125.065 0.036 . 1 . . . . . 48 VAL N . 52883 2 234 . 2 . 2 69 69 ASN H H 1 8.592 0.004 . 1 . . . . . 49 ASN H . 52883 2 235 . 2 . 2 69 69 ASN C C 13 175.213 0.001 . 1 . . . . . 49 ASN C . 52883 2 236 . 2 . 2 69 69 ASN CA C 13 51.421 0.044 . 1 . . . . . 49 ASN CA . 52883 2 237 . 2 . 2 69 69 ASN CB C 13 35.836 0.014 . 1 . . . . . 49 ASN CB . 52883 2 238 . 2 . 2 69 69 ASN N N 15 123.497 0.030 . 1 . . . . . 49 ASN N . 52883 2 239 . 2 . 2 70 70 ASP H H 1 8.905 0.002 . 1 . . . . . 50 ASP H . 52883 2 240 . 2 . 2 70 70 ASP C C 13 174.904 0.043 . 1 . . . . . 50 ASP C . 52883 2 241 . 2 . 2 70 70 ASP CA C 13 54.062 0.065 . 1 . . . . . 50 ASP CA . 52883 2 242 . 2 . 2 70 70 ASP CB C 13 36.584 0.022 . 1 . . . . . 50 ASP CB . 52883 2 243 . 2 . 2 70 70 ASP N N 15 122.268 0.019 . 1 . . . . . 50 ASP N . 52883 2 244 . 2 . 2 71 71 ASP H H 1 8.553 0.006 . 1 . . . . . 51 ASP H . 52883 2 245 . 2 . 2 71 71 ASP C C 13 174.944 0.000 . 1 . . . . . 51 ASP C . 52883 2 246 . 2 . 2 71 71 ASP CA C 13 51.732 0.128 . 1 . . . . . 51 ASP CA . 52883 2 247 . 2 . 2 71 71 ASP CB C 13 36.594 0.012 . 1 . . . . . 51 ASP CB . 52883 2 248 . 2 . 2 71 71 ASP N N 15 117.367 0.031 . 1 . . . . . 51 ASP N . 52883 2 249 . 2 . 2 72 72 ARG H H 1 8.360 0.004 . 1 . . . . . 52 ARG H . 52883 2 250 . 2 . 2 72 72 ARG C C 13 173.876 0.021 . 1 . . . . . 52 ARG C . 52883 2 251 . 2 . 2 72 72 ARG CA C 13 53.313 0.091 . 1 . . . . . 52 ARG CA . 52883 2 252 . 2 . 2 72 72 ARG CB C 13 28.251 0.083 . 1 . . . . . 52 ARG CB . 52883 2 253 . 2 . 2 72 72 ARG N N 15 117.261 0.024 . 1 . . . . . 52 ARG N . 52883 2 254 . 2 . 2 73 73 VAL H H 1 7.371 0.008 . 1 . . . . . 53 VAL H . 52883 2 255 . 2 . 2 73 73 VAL C C 13 174.776 0.023 . 1 . . . . . 53 VAL C . 52883 2 256 . 2 . 2 73 73 VAL CA C 13 63.837 0.071 . 1 . . . . . 53 VAL CA . 52883 2 257 . 2 . 2 73 73 VAL CB C 13 27.854 0.012 . 1 . . . . . 53 VAL CB . 52883 2 258 . 2 . 2 73 73 VAL N N 15 122.002 0.027 . 1 . . . . . 53 VAL N . 52883 2 259 . 2 . 2 74 74 ASP H H 1 8.496 0.003 . 1 . . . . . 54 ASP H . 52883 2 260 . 2 . 2 74 74 ASP C C 13 176.992 0.000 . 1 . . . . . 54 ASP C . 52883 2 261 . 2 . 2 74 74 ASP CA C 13 55.122 0.116 . 1 . . . . . 54 ASP CA . 52883 2 262 . 2 . 2 74 74 ASP CB C 13 35.993 0.000 . 1 . . . . . 54 ASP CB . 52883 2 263 . 2 . 2 74 74 ASP N N 15 118.373 0.050 . 1 . . . . . 54 ASP N . 52883 2 264 . 2 . 2 75 75 GLU H H 1 7.741 0.003 . 1 . . . . . 55 GLU H . 52883 2 265 . 2 . 2 75 75 GLU C C 13 176.694 0.000 . 1 . . . . . 55 GLU C . 52883 2 266 . 2 . 2 75 75 GLU CA C 13 56.452 0.167 . 1 . . . . . 55 GLU CA . 52883 2 267 . 2 . 2 75 75 GLU CB C 13 26.117 0.028 . 1 . . . . . 55 GLU CB . 52883 2 268 . 2 . 2 75 75 GLU N N 15 120.683 0.045 . 1 . . . . . 55 GLU N . 52883 2 269 . 2 . 2 76 76 ILE H H 1 8.284 0.002 . 1 . . . . . 56 ILE H . 52883 2 270 . 2 . 2 76 76 ILE CA C 13 62.337 0.014 . 1 . . . . . 56 ILE CA . 52883 2 271 . 2 . 2 76 76 ILE CB C 13 31.971 0.063 . 1 . . . . . 56 ILE CB . 52883 2 272 . 2 . 2 76 76 ILE N N 15 120.555 0.028 . 1 . . . . . 56 ILE N . 52883 2 273 . 2 . 2 77 77 LEU H H 1 8.058 0.004 . 1 . . . . . 57 LEU H . 52883 2 274 . 2 . 2 77 77 LEU C C 13 176.430 0.014 . 1 . . . . . 57 LEU C . 52883 2 275 . 2 . 2 77 77 LEU CA C 13 55.274 0.096 . 1 . . . . . 57 LEU CA . 52883 2 276 . 2 . 2 77 77 LEU CB C 13 36.681 0.062 . 1 . . . . . 57 LEU CB . 52883 2 277 . 2 . 2 77 77 LEU N N 15 122.387 0.115 . 1 . . . . . 57 LEU N . 52883 2 278 . 2 . 2 78 78 SER H H 1 7.699 0.005 . 1 . . . . . 58 SER H . 52883 2 279 . 2 . 2 78 78 SER C C 13 174.664 0.000 . 1 . . . . . 58 SER C . 52883 2 280 . 2 . 2 78 78 SER CA C 13 58.439 0.135 . 1 . . . . . 58 SER CA . 52883 2 281 . 2 . 2 78 78 SER CB C 13 59.595 0.056 . 1 . . . . . 58 SER CB . 52883 2 282 . 2 . 2 78 78 SER N N 15 113.588 0.033 . 1 . . . . . 58 SER N . 52883 2 283 . 2 . 2 79 79 VAL H H 1 7.699 0.009 . 1 . . . . . 59 VAL H . 52883 2 284 . 2 . 2 79 79 VAL C C 13 177.030 0.036 . 1 . . . . . 59 VAL C . 52883 2 285 . 2 . 2 79 79 VAL CA C 13 63.432 0.044 . 1 . . . . . 59 VAL CA . 52883 2 286 . 2 . 2 79 79 VAL CB C 13 27.870 0.012 . 1 . . . . . 59 VAL CB . 52883 2 287 . 2 . 2 79 79 VAL N N 15 122.290 0.033 . 1 . . . . . 59 VAL N . 52883 2 288 . 2 . 2 80 80 ILE H H 1 8.173 0.007 . 1 . . . . . 60 ILE H . 52883 2 289 . 2 . 2 80 80 ILE C C 13 175.276 0.233 . 1 . . . . . 60 ILE C . 52883 2 290 . 2 . 2 80 80 ILE CA C 13 63.091 0.134 . 1 . . . . . 60 ILE CA . 52883 2 291 . 2 . 2 80 80 ILE CB C 13 34.090 0.000 . 1 . . . . . 60 ILE CB . 52883 2 292 . 2 . 2 80 80 ILE N N 15 121.182 0.120 . 1 . . . . . 60 ILE N . 52883 2 293 . 2 . 2 81 81 ASN H H 1 8.184 0.009 . 1 . . . . . 61 ASN H . 52883 2 294 . 2 . 2 81 81 ASN C C 13 175.544 0.050 . 1 . . . . . 61 ASN C . 52883 2 295 . 2 . 2 81 81 ASN CA C 13 53.462 0.101 . 1 . . . . . 61 ASN CA . 52883 2 296 . 2 . 2 81 81 ASN CB C 13 35.025 0.001 . 1 . . . . . 61 ASN CB . 52883 2 297 . 2 . 2 81 81 ASN N N 15 117.989 0.173 . 1 . . . . . 61 ASN N . 52883 2 298 . 2 . 2 82 82 GLN H H 1 8.440 0.003 . 1 . . . . . 62 GLN H . 52883 2 299 . 2 . 2 82 82 GLN C C 13 175.530 0.023 . 1 . . . . . 62 GLN C . 52883 2 300 . 2 . 2 82 82 GLN CA C 13 55.661 0.053 . 1 . . . . . 62 GLN CA . 52883 2 301 . 2 . 2 82 82 GLN CB C 13 25.135 0.000 . 1 . . . . . 62 GLN CB . 52883 2 302 . 2 . 2 82 82 GLN N N 15 116.906 0.018 . 1 . . . . . 62 GLN N . 52883 2 303 . 2 . 2 83 83 THR H H 1 7.591 0.006 . 1 . . . . . 63 THR H . 52883 2 304 . 2 . 2 83 83 THR C C 13 173.243 0.000 . 1 . . . . . 63 THR C . 52883 2 305 . 2 . 2 83 83 THR CA C 13 62.746 0.093 . 1 . . . . . 63 THR CA . 52883 2 306 . 2 . 2 83 83 THR CB C 13 66.726 0.004 . 1 . . . . . 63 THR CB . 52883 2 307 . 2 . 2 83 83 THR N N 15 111.544 0.047 . 1 . . . . . 63 THR N . 52883 2 308 . 2 . 2 84 84 CYS H H 1 8.159 0.004 . 1 . . . . . 64 CYS H . 52883 2 309 . 2 . 2 84 84 CYS C C 13 172.505 0.010 . 1 . . . . . 64 CYS C . 52883 2 310 . 2 . 2 84 84 CYS CA C 13 56.666 0.122 . 1 . . . . . 64 CYS CA . 52883 2 311 . 2 . 2 84 84 CYS CB C 13 26.919 0.007 . 1 . . . . . 64 CYS CB . 52883 2 312 . 2 . 2 84 84 CYS N N 15 114.850 0.032 . 1 . . . . . 64 CYS N . 52883 2 313 . 2 . 2 85 85 GLY H H 1 8.043 0.004 . 1 . . . . . 65 GLY H . 52883 2 314 . 2 . 2 85 85 GLY C C 13 171.398 0.004 . 1 . . . . . 65 GLY C . 52883 2 315 . 2 . 2 85 85 GLY CA C 13 42.406 0.181 . 1 . . . . . 65 GLY CA . 52883 2 316 . 2 . 2 85 85 GLY N N 15 107.454 0.036 . 1 . . . . . 65 GLY N . 52883 2 317 . 2 . 2 86 86 ASN H H 1 8.835 0.004 . 1 . . . . . 66 ASN H . 52883 2 318 . 2 . 2 86 86 ASN C C 13 173.371 0.041 . 1 . . . . . 66 ASN C . 52883 2 319 . 2 . 2 86 86 ASN CA C 13 50.639 0.131 . 1 . . . . . 66 ASN CA . 52883 2 320 . 2 . 2 86 86 ASN CB C 13 36.058 0.006 . 1 . . . . . 66 ASN CB . 52883 2 321 . 2 . 2 86 86 ASN N N 15 119.668 0.028 . 1 . . . . . 66 ASN N . 52883 2 322 . 2 . 2 87 87 ARG H H 1 8.534 0.005 . 1 . . . . . 67 ARG H . 52883 2 323 . 2 . 2 87 87 ARG CA C 13 53.312 0.027 . 1 . . . . . 67 ARG CA . 52883 2 324 . 2 . 2 87 87 ARG CB C 13 27.233 0.000 . 1 . . . . . 67 ARG CB . 52883 2 325 . 2 . 2 87 87 ARG N N 15 122.034 0.025 . 1 . . . . . 67 ARG N . 52883 2 326 . 2 . 2 89 89 GLN C C 13 175.416 0.017 . 1 . . . . . 69 GLN C . 52883 2 327 . 2 . 2 89 89 GLN CA C 13 56.579 0.118 . 1 . . . . . 69 GLN CA . 52883 2 328 . 2 . 2 89 89 GLN CB C 13 24.386 0.000 . 1 . . . . . 69 GLN CB . 52883 2 329 . 2 . 2 90 90 LEU H H 1 8.337 0.004 . 1 . . . . . 70 LEU H . 52883 2 330 . 2 . 2 90 90 LEU C C 13 175.033 0.021 . 1 . . . . . 70 LEU C . 52883 2 331 . 2 . 2 90 90 LEU CA C 13 52.441 0.121 . 1 . . . . . 70 LEU CA . 52883 2 332 . 2 . 2 90 90 LEU CB C 13 38.502 0.008 . 1 . . . . . 70 LEU CB . 52883 2 333 . 2 . 2 90 90 LEU N N 15 122.105 0.037 . 1 . . . . . 70 LEU N . 52883 2 334 . 2 . 2 91 91 VAL H H 1 8.204 0.005 . 1 . . . . . 71 VAL H . 52883 2 335 . 2 . 2 91 91 VAL C C 13 173.698 0.007 . 1 . . . . . 71 VAL C . 52883 2 336 . 2 . 2 91 91 VAL CA C 13 59.046 0.030 . 1 . . . . . 71 VAL CA . 52883 2 337 . 2 . 2 91 91 VAL CB C 13 29.325 0.024 . 1 . . . . . 71 VAL CB . 52883 2 338 . 2 . 2 91 91 VAL N N 15 121.600 0.052 . 1 . . . . . 71 VAL N . 52883 2 339 . 2 . 2 92 92 SER H H 1 8.383 0.006 . 1 . . . . . 72 SER H . 52883 2 340 . 2 . 2 92 92 SER C C 13 170.532 0.000 . 1 . . . . . 72 SER C . 52883 2 341 . 2 . 2 92 92 SER CA C 13 53.247 0.048 . 1 . . . . . 72 SER CA . 52883 2 342 . 2 . 2 92 92 SER CB C 13 60.413 0.000 . 1 . . . . . 72 SER CB . 52883 2 343 . 2 . 2 92 92 SER N N 15 120.974 0.133 . 1 . . . . . 72 SER N . 52883 2 344 . 2 . 2 93 93 PRO C C 13 174.557 0.009 . 1 . . . . . 73 PRO C . 52883 2 345 . 2 . 2 93 93 PRO CA C 13 60.217 0.000 . 1 . . . . . 73 PRO CA . 52883 2 346 . 2 . 2 93 93 PRO CB C 13 28.835 0.000 . 1 . . . . . 73 PRO CB . 52883 2 347 . 2 . 2 94 94 ILE H H 1 8.148 0.009 . 1 . . . . . 74 ILE H . 52883 2 348 . 2 . 2 94 94 ILE C C 13 174.200 0.010 . 1 . . . . . 74 ILE C . 52883 2 349 . 2 . 2 94 94 ILE CA C 13 58.120 0.028 . 1 . . . . . 74 ILE CA . 52883 2 350 . 2 . 2 94 94 ILE CB C 13 35.122 0.015 . 1 . . . . . 74 ILE CB . 52883 2 351 . 2 . 2 94 94 ILE N N 15 120.250 0.067 . 1 . . . . . 74 ILE N . 52883 2 352 . 2 . 2 95 95 THR H H 1 8.192 0.006 . 1 . . . . . 75 THR H . 52883 2 353 . 2 . 2 95 95 THR CA C 13 56.769 0.077 . 1 . . . . . 75 THR CA . 52883 2 354 . 2 . 2 95 95 THR CB C 13 66.857 0.000 . 1 . . . . . 75 THR CB . 52883 2 355 . 2 . 2 95 95 THR N N 15 120.587 0.029 . 1 . . . . . 75 THR N . 52883 2 356 . 2 . 2 96 96 PRO C C 13 174.927 0.000 . 1 . . . . . 76 PRO C . 52883 2 357 . 2 . 2 96 96 PRO CA C 13 60.308 0.019 . 1 . . . . . 76 PRO CA . 52883 2 358 . 2 . 2 96 96 PRO CB C 13 26.651 0.000 . 1 . . . . . 76 PRO CB . 52883 2 359 . 2 . 2 97 97 MET H H 1 8.454 0.005 . 1 . . . . . 77 MET H . 52883 2 360 . 2 . 2 97 97 MET C C 13 174.748 0.026 . 1 . . . . . 77 MET C . 52883 2 361 . 2 . 2 97 97 MET CA C 13 52.663 0.008 . 1 . . . . . 77 MET CA . 52883 2 362 . 2 . 2 97 97 MET CB C 13 29.337 0.000 . 1 . . . . . 77 MET CB . 52883 2 363 . 2 . 2 97 97 MET N N 15 120.420 0.079 . 1 . . . . . 77 MET N . 52883 2 364 . 2 . 2 98 98 GLY H H 1 8.424 0.004 . 1 . . . . . 78 GLY H . 52883 2 365 . 2 . 2 98 98 GLY C C 13 172.439 0.007 . 1 . . . . . 78 GLY C . 52883 2 366 . 2 . 2 98 98 GLY CA C 13 42.216 0.213 . 1 . . . . . 78 GLY CA . 52883 2 367 . 2 . 2 98 98 GLY N N 15 109.936 0.085 . 1 . . . . . 78 GLY N . 52883 2 368 . 2 . 2 99 99 GLY H H 1 8.276 0.003 . 1 . . . . . 79 GLY H . 52883 2 369 . 2 . 2 99 99 GLY C C 13 171.981 0.017 . 1 . . . . . 79 GLY C . 52883 2 370 . 2 . 2 99 99 GLY CA C 13 42.094 0.153 . 1 . . . . . 79 GLY CA . 52883 2 371 . 2 . 2 99 99 GLY N N 15 108.624 0.048 . 1 . . . . . 79 GLY N . 52883 2 372 . 2 . 2 100 100 SER H H 1 8.250 0.003 . 1 . . . . . 80 SER H . 52883 2 373 . 2 . 2 100 100 SER C C 13 172.514 0.011 . 1 . . . . . 80 SER C . 52883 2 374 . 2 . 2 100 100 SER CA C 13 55.370 0.098 . 1 . . . . . 80 SER CA . 52883 2 375 . 2 . 2 100 100 SER CB C 13 61.098 0.016 . 1 . . . . . 80 SER CB . 52883 2 376 . 2 . 2 100 100 SER N N 15 115.232 0.029 . 1 . . . . . 80 SER N . 52883 2 377 . 2 . 2 101 101 ALA H H 1 8.462 0.004 . 1 . . . . . 81 ALA H . 52883 2 378 . 2 . 2 101 101 ALA C C 13 175.488 0.006 . 1 . . . . . 81 ALA C . 52883 2 379 . 2 . 2 101 101 ALA CA C 13 49.790 0.084 . 1 . . . . . 81 ALA CA . 52883 2 380 . 2 . 2 101 101 ALA CB C 13 15.586 0.013 . 1 . . . . . 81 ALA CB . 52883 2 381 . 2 . 2 101 101 ALA N N 15 125.493 0.037 . 1 . . . . . 81 ALA N . 52883 2 382 . 2 . 2 102 102 ASP H H 1 8.202 0.002 . 1 . . . . . 82 ASP H . 52883 2 383 . 2 . 2 102 102 ASP C C 13 174.084 0.004 . 1 . . . . . 82 ASP C . 52883 2 384 . 2 . 2 102 102 ASP CA C 13 51.546 0.011 . 1 . . . . . 82 ASP CA . 52883 2 385 . 2 . 2 102 102 ASP CB C 13 37.916 0.051 . 1 . . . . . 82 ASP CB . 52883 2 386 . 2 . 2 102 102 ASP N N 15 118.360 0.030 . 1 . . . . . 82 ASP N . 52883 2 387 . 2 . 2 103 103 SER H H 1 8.023 0.004 . 1 . . . . . 83 SER H . 52883 2 388 . 2 . 2 103 103 SER C C 13 171.693 0.010 . 1 . . . . . 83 SER C . 52883 2 389 . 2 . 2 103 103 SER CA C 13 55.355 0.035 . 1 . . . . . 83 SER CA . 52883 2 390 . 2 . 2 103 103 SER CB C 13 60.930 0.003 . 1 . . . . . 83 SER CB . 52883 2 391 . 2 . 2 103 103 SER N N 15 114.876 0.028 . 1 . . . . . 83 SER N . 52883 2 392 . 2 . 2 104 104 TYR H H 1 8.056 0.004 . 1 . . . . . 84 TYR H . 52883 2 393 . 2 . 2 104 104 TYR C C 13 172.653 0.011 . 1 . . . . . 84 TYR C . 52883 2 394 . 2 . 2 104 104 TYR CA C 13 55.181 0.125 . 1 . . . . . 84 TYR CA . 52883 2 395 . 2 . 2 104 104 TYR CB C 13 35.342 0.002 . 1 . . . . . 84 TYR CB . 52883 2 396 . 2 . 2 104 104 TYR N N 15 121.850 0.055 . 1 . . . . . 84 TYR N . 52883 2 397 . 2 . 2 105 105 ILE H H 1 7.864 0.005 . 1 . . . . . 85 ILE H . 52883 2 398 . 2 . 2 105 105 ILE C C 13 171.797 0.000 . 1 . . . . . 85 ILE C . 52883 2 399 . 2 . 2 105 105 ILE N N 15 125.803 0.065 . 1 . . . . . 85 ILE N . 52883 2 400 . 2 . 2 108 108 PRO C C 13 174.199 0.025 . 9 . . . . . 88 PRO C . 52883 2 401 . 2 . 2 108 108 PRO CA C 13 60.137 0.000 . 9 . . . . . 88 PRO CA . 52883 2 402 . 2 . 2 108 108 PRO CB C 13 28.441 0.000 . 9 . . . . . 88 PRO CB . 52883 2 403 . 2 . 2 109 109 VAL H H 1 8.074 0.005 . 9 . . . . . 89 VAL H . 52883 2 404 . 2 . 2 109 109 VAL C C 13 173.523 0.000 . 9 . . . . . 89 VAL C . 52883 2 405 . 2 . 2 109 109 VAL CA C 13 59.281 0.000 . 9 . . . . . 89 VAL CA . 52883 2 406 . 2 . 2 109 109 VAL CB C 13 29.660 0.000 . 9 . . . . . 89 VAL CB . 52883 2 407 . 2 . 2 109 109 VAL N N 15 118.650 0.071 . 9 . . . . . 89 VAL N . 52883 2 408 . 2 . 2 111 111 VAL CA C 13 58.688 0.000 . 1 . . . . . 91 VAL CA . 52883 2 409 . 2 . 2 111 111 VAL CB C 13 29.813 0.000 . 1 . . . . . 91 VAL CB . 52883 2 410 . 2 . 2 112 112 GLU H H 1 8.459 0.010 . 1 . . . . . 92 GLU H . 52883 2 411 . 2 . 2 112 112 GLU C C 13 173.459 0.012 . 1 . . . . . 92 GLU C . 52883 2 412 . 2 . 2 112 112 GLU CA C 13 53.118 0.045 . 1 . . . . . 92 GLU CA . 52883 2 413 . 2 . 2 112 112 GLU CB C 13 27.088 0.006 . 1 . . . . . 92 GLU CB . 52883 2 414 . 2 . 2 112 112 GLU N N 15 120.572 0.039 . 1 . . . . . 92 GLU N . 52883 2 415 . 2 . 2 113 113 VAL H H 1 8.385 0.005 . 1 . . . . . 93 VAL H . 52883 2 416 . 2 . 2 113 113 VAL C C 13 174.197 0.006 . 1 . . . . . 93 VAL C . 52883 2 417 . 2 . 2 113 113 VAL CA C 13 59.227 0.104 . 1 . . . . . 93 VAL CA . 52883 2 418 . 2 . 2 113 113 VAL CB C 13 29.697 0.004 . 1 . . . . . 93 VAL CB . 52883 2 419 . 2 . 2 113 113 VAL N N 15 121.875 0.071 . 1 . . . . . 93 VAL N . 52883 2 420 . 2 . 2 114 114 GLY H H 1 9.018 0.004 . 1 . . . . . 94 GLY H . 52883 2 421 . 2 . 2 114 114 GLY C C 13 171.858 0.023 . 1 . . . . . 94 GLY C . 52883 2 422 . 2 . 2 114 114 GLY CA C 13 41.951 0.068 . 1 . . . . . 94 GLY CA . 52883 2 423 . 2 . 2 114 114 GLY N N 15 113.299 0.064 . 1 . . . . . 94 GLY N . 52883 2 424 . 2 . 2 115 115 GLY H H 1 8.421 0.006 . 1 . . . . . 95 GLY H . 52883 2 425 . 2 . 2 115 115 GLY C C 13 172.384 0.049 . 1 . . . . . 95 GLY C . 52883 2 426 . 2 . 2 115 115 GLY CA C 13 42.928 0.017 . 1 . . . . . 95 GLY CA . 52883 2 427 . 2 . 2 115 115 GLY N N 15 109.520 0.328 . 1 . . . . . 95 GLY N . 52883 2 428 . 2 . 2 116 116 ALA H H 1 8.179 0.003 . 1 . . . . . 96 ALA H . 52883 2 429 . 2 . 2 116 116 ALA C C 13 173.444 0.034 . 1 . . . . . 96 ALA C . 52883 2 430 . 2 . 2 116 116 ALA CA C 13 48.627 0.069 . 1 . . . . . 96 ALA CA . 52883 2 431 . 2 . 2 116 116 ALA CB C 13 19.701 0.019 . 1 . . . . . 96 ALA CB . 52883 2 432 . 2 . 2 116 116 ALA N N 15 119.429 0.039 . 1 . . . . . 96 ALA N . 52883 2 433 . 2 . 2 117 117 THR H H 1 8.445 0.010 . 1 . . . . . 97 THR H . 52883 2 434 . 2 . 2 117 117 THR C C 13 170.662 0.060 . 1 . . . . . 97 THR C . 52883 2 435 . 2 . 2 117 117 THR CA C 13 60.864 0.026 . 1 . . . . . 97 THR CA . 52883 2 436 . 2 . 2 117 117 THR CB C 13 68.034 0.009 . 1 . . . . . 97 THR CB . 52883 2 437 . 2 . 2 117 117 THR N N 15 120.786 0.122 . 1 . . . . . 97 THR N . 52883 2 438 . 2 . 2 118 118 VAL H H 1 8.717 0.004 . 1 . . . . . 98 VAL H . 52883 2 439 . 2 . 2 118 118 VAL C C 13 170.904 0.024 . 1 . . . . . 98 VAL C . 52883 2 440 . 2 . 2 118 118 VAL CA C 13 57.471 0.015 . 1 . . . . . 98 VAL CA . 52883 2 441 . 2 . 2 118 118 VAL CB C 13 31.650 0.035 . 1 . . . . . 98 VAL CB . 52883 2 442 . 2 . 2 118 118 VAL N N 15 125.521 0.035 . 1 . . . . . 98 VAL N . 52883 2 443 . 2 . 2 119 119 PHE H H 1 9.419 0.005 . 1 . . . . . 99 PHE H . 52883 2 444 . 2 . 2 119 119 PHE C C 13 172.515 0.000 . 1 . . . . . 99 PHE C . 52883 2 445 . 2 . 2 119 119 PHE CA C 13 53.295 0.070 . 1 . . . . . 99 PHE CA . 52883 2 446 . 2 . 2 119 119 PHE CB C 13 38.462 0.014 . 1 . . . . . 99 PHE CB . 52883 2 447 . 2 . 2 119 119 PHE N N 15 122.881 0.039 . 1 . . . . . 99 PHE N . 52883 2 448 . 2 . 2 120 120 VAL H H 1 9.008 0.004 . 1 . . . . . 100 VAL H . 52883 2 449 . 2 . 2 120 120 VAL C C 13 173.626 0.000 . 1 . . . . . 100 VAL C . 52883 2 450 . 2 . 2 120 120 VAL CA C 13 58.712 0.052 . 1 . . . . . 100 VAL CA . 52883 2 451 . 2 . 2 120 120 VAL CB C 13 28.590 0.000 . 1 . . . . . 100 VAL CB . 52883 2 452 . 2 . 2 120 120 VAL N N 15 121.577 0.056 . 1 . . . . . 100 VAL N . 52883 2 453 . 2 . 2 121 121 MET H H 1 9.984 0.004 . 1 . . . . . 101 MET H . 52883 2 454 . 2 . 2 121 121 MET CA C 13 49.992 0.064 . 1 . . . . . 101 MET CA . 52883 2 455 . 2 . 2 121 121 MET CB C 13 32.366 0.000 . 1 . . . . . 101 MET CB . 52883 2 456 . 2 . 2 121 121 MET N N 15 127.100 0.020 . 1 . . . . . 101 MET N . 52883 2 457 . 2 . 2 122 122 PRO C C 13 171.913 0.006 . 1 . . . . . 102 PRO C . 52883 2 458 . 2 . 2 122 122 PRO CA C 13 60.125 0.020 . 1 . . . . . 102 PRO CA . 52883 2 459 . 2 . 2 122 122 PRO CB C 13 28.777 0.000 . 1 . . . . . 102 PRO CB . 52883 2 460 . 2 . 2 123 123 VAL H H 1 7.601 0.002 . 1 . . . . . 103 VAL H . 52883 2 461 . 2 . 2 123 123 VAL C C 13 174.190 0.015 . 1 . . . . . 103 VAL C . 52883 2 462 . 2 . 2 123 123 VAL CA C 13 58.441 0.084 . 1 . . . . . 103 VAL CA . 52883 2 463 . 2 . 2 123 123 VAL CB C 13 31.810 0.023 . 1 . . . . . 103 VAL CB . 52883 2 464 . 2 . 2 123 123 VAL N N 15 115.560 0.023 . 1 . . . . . 103 VAL N . 52883 2 465 . 2 . 2 124 124 ASP H H 1 9.400 0.005 . 1 . . . . . 104 ASP H . 52883 2 466 . 2 . 2 124 124 ASP C C 13 174.394 0.000 . 1 . . . . . 104 ASP C . 52883 2 467 . 2 . 2 124 124 ASP CA C 13 54.055 0.177 . 1 . . . . . 104 ASP CA . 52883 2 468 . 2 . 2 124 124 ASP CB C 13 38.306 0.155 . 1 . . . . . 104 ASP CB . 52883 2 469 . 2 . 2 124 124 ASP N N 15 128.019 0.035 . 1 . . . . . 104 ASP N . 52883 2 470 . 2 . 2 125 125 ALA H H 1 7.972 0.005 . 1 . . . . . 105 ALA H . 52883 2 471 . 2 . 2 125 125 ALA C C 13 170.760 0.022 . 1 . . . . . 105 ALA C . 52883 2 472 . 2 . 2 125 125 ALA CA C 13 48.907 0.015 . 1 . . . . . 105 ALA CA . 52883 2 473 . 2 . 2 125 125 ALA CB C 13 18.991 0.011 . 1 . . . . . 105 ALA CB . 52883 2 474 . 2 . 2 125 125 ALA N N 15 118.487 0.059 . 1 . . . . . 105 ALA N . 52883 2 475 . 2 . 2 126 126 PHE H H 1 8.029 0.002 . 1 . . . . . 106 PHE H . 52883 2 476 . 2 . 2 126 126 PHE C C 13 170.651 0.000 . 1 . . . . . 106 PHE C . 52883 2 477 . 2 . 2 126 126 PHE CA C 13 52.445 0.075 . 1 . . . . . 106 PHE CA . 52883 2 478 . 2 . 2 126 126 PHE CB C 13 40.240 0.078 . 1 . . . . . 106 PHE CB . 52883 2 479 . 2 . 2 126 126 PHE N N 15 122.047 0.029 . 1 . . . . . 106 PHE N . 52883 2 480 . 2 . 2 127 127 HIS H H 1 8.503 0.004 . 1 . . . . . 107 HIS H . 52883 2 481 . 2 . 2 127 127 HIS C C 13 170.286 0.014 . 1 . . . . . 107 HIS C . 52883 2 482 . 2 . 2 127 127 HIS CA C 13 51.234 0.119 . 1 . . . . . 107 HIS CA . 52883 2 483 . 2 . 2 127 127 HIS CB C 13 31.760 0.000 . 1 . . . . . 107 HIS CB . 52883 2 484 . 2 . 2 127 127 HIS N N 15 124.526 0.032 . 1 . . . . . 107 HIS N . 52883 2 485 . 2 . 2 128 128 GLN H H 1 7.854 0.005 . 1 . . . . . 108 GLN H . 52883 2 486 . 2 . 2 128 128 GLN C C 13 171.900 0.014 . 1 . . . . . 108 GLN C . 52883 2 487 . 2 . 2 128 128 GLN CA C 13 52.211 0.116 . 1 . . . . . 108 GLN CA . 52883 2 488 . 2 . 2 128 128 GLN CB C 13 28.160 0.017 . 1 . . . . . 108 GLN CB . 52883 2 489 . 2 . 2 128 128 GLN N N 15 118.895 0.044 . 1 . . . . . 108 GLN N . 52883 2 490 . 2 . 2 129 129 PHE H H 1 8.802 0.001 . 1 . . . . . 109 PHE H . 52883 2 491 . 2 . 2 129 129 PHE C C 13 178.394 0.000 . 1 . . . . . 109 PHE C . 52883 2 492 . 2 . 2 129 129 PHE CA C 13 54.437 0.035 . 1 . . . . . 109 PHE CA . 52883 2 493 . 2 . 2 129 129 PHE CB C 13 38.184 0.000 . 1 . . . . . 109 PHE CB . 52883 2 494 . 2 . 2 129 129 PHE N N 15 128.132 0.030 . 1 . . . . . 109 PHE N . 52883 2 stop_ save_