################################### # 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 52470 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'shift list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 HSQC' . . . 52470 1 2 '3D HNCACB' . . . 52470 1 3 '3D HN(CA)CO' . . . 52470 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 . . 52470 1 2 $software_2 . . 52470 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 2 2 GLY C C 13 176.367 0.000 . 1 . . . . . 44 GLY C . 52470 1 2 . 1 . 1 2 2 GLY CA C 13 47.471 0.000 . 1 . . . . . 44 GLY CA . 52470 1 3 . 1 . 1 3 3 LEU H H 1 8.322 0.015 . 1 . . . . . 45 LEU H . 52470 1 4 . 1 . 1 3 3 LEU C C 13 178.368 0.000 . 1 . . . . . 45 LEU C . 52470 1 5 . 1 . 1 3 3 LEU CA C 13 55.715 0.000 . 1 . . . . . 45 LEU CA . 52470 1 6 . 1 . 1 3 3 LEU CB C 13 44.385 0.000 . 1 . . . . . 45 LEU CB . 52470 1 7 . 1 . 1 3 3 LEU N N 15 123.273 0.171 . 1 . . . . . 45 LEU N . 52470 1 8 . 1 . 1 4 4 PRO C C 13 179.314 0.000 . 1 . . . . . 46 PRO C . 52470 1 9 . 1 . 1 4 4 PRO CA C 13 65.994 0.000 . 1 . . . . . 46 PRO CA . 52470 1 10 . 1 . 1 4 4 PRO CB C 13 34.665 0.000 . 1 . . . . . 46 PRO CB . 52470 1 11 . 1 . 1 5 5 ASN H H 1 8.477 0.020 . 1 . . . . . 47 ASN H . 52470 1 12 . 1 . 1 5 5 ASN C C 13 177.749 0.000 . 1 . . . . . 47 ASN C . 52470 1 13 . 1 . 1 5 5 ASN CA C 13 55.718 0.000 . 1 . . . . . 47 ASN CA . 52470 1 14 . 1 . 1 5 5 ASN CB C 13 41.463 0.000 . 1 . . . . . 47 ASN CB . 52470 1 15 . 1 . 1 5 5 ASN N N 15 118.352 0.313 . 1 . . . . . 47 ASN N . 52470 1 16 . 1 . 1 6 6 ASN H H 1 8.321 0.012 . 1 . . . . . 48 ASN H . 52470 1 17 . 1 . 1 6 6 ASN C C 13 177.732 0.000 . 1 . . . . . 48 ASN C . 52470 1 18 . 1 . 1 6 6 ASN CA C 13 55.652 0.015 . 1 . . . . . 48 ASN CA . 52470 1 19 . 1 . 1 6 6 ASN CB C 13 41.185 0.055 . 1 . . . . . 48 ASN CB . 52470 1 20 . 1 . 1 6 6 ASN N N 15 111.903 0.000 . 1 . . . . . 48 ASN N . 52470 1 21 . 1 . 1 7 7 THR H H 1 7.842 0.017 . 1 . . . . . 49 THR H . 52470 1 22 . 1 . 1 7 7 THR C C 13 176.660 0.000 . 1 . . . . . 49 THR C . 52470 1 23 . 1 . 1 7 7 THR CA C 13 63.563 0.000 . 1 . . . . . 49 THR CA . 52470 1 24 . 1 . 1 7 7 THR CB C 13 73.295 0.000 . 1 . . . . . 49 THR CB . 52470 1 25 . 1 . 1 7 7 THR N N 15 110.744 0.106 . 1 . . . . . 49 THR N . 52470 1 26 . 1 . 1 8 8 ALA H H 1 8.544 0.015 . 1 . . . . . 50 ALA H . 52470 1 27 . 1 . 1 8 8 ALA C C 13 178.805 0.000 . 1 . . . . . 50 ALA C . 52470 1 28 . 1 . 1 8 8 ALA CA C 13 54.170 0.000 . 1 . . . . . 50 ALA CA . 52470 1 29 . 1 . 1 8 8 ALA CB C 13 23.587 0.000 . 1 . . . . . 50 ALA CB . 52470 1 30 . 1 . 1 8 8 ALA N N 15 126.794 0.268 . 1 . . . . . 50 ALA N . 52470 1 31 . 1 . 1 9 9 SER H H 1 8.336 0.028 . 1 . . . . . 51 SER H . 52470 1 32 . 1 . 1 9 9 SER C C 13 179.520 0.000 . 1 . . . . . 51 SER C . 52470 1 33 . 1 . 1 9 9 SER CA C 13 60.554 0.020 . 1 . . . . . 51 SER CA . 52470 1 34 . 1 . 1 9 9 SER CB C 13 65.704 0.035 . 1 . . . . . 51 SER CB . 52470 1 35 . 1 . 1 9 9 SER N N 15 113.918 0.235 . 1 . . . . . 51 SER N . 52470 1 36 . 1 . 1 10 10 TRP H H 1 10.093 0.008 . 1 . . . . . 52 TRP H . 52470 1 37 . 1 . 1 10 10 TRP HE1 H 1 8.595 0.024 . 1 . . . . . 52 TRP HE1 . 52470 1 38 . 1 . 1 10 10 TRP C C 13 176.607 0.000 . 1 . . . . . 52 TRP C . 52470 1 39 . 1 . 1 10 10 TRP CA C 13 64.025 0.036 . 1 . . . . . 52 TRP CA . 52470 1 40 . 1 . 1 10 10 TRP CB C 13 32.579 0.000 . 1 . . . . . 52 TRP CB . 52470 1 41 . 1 . 1 10 10 TRP N N 15 128.022 0.222 . 1 . . . . . 52 TRP N . 52470 1 42 . 1 . 1 10 10 TRP NE1 N 15 127.137 0.267 . 1 . . . . . 52 TRP NE1 . 52470 1 43 . 1 . 1 11 11 PHE H H 1 8.173 0.034 . 1 . . . . . 53 PHE H . 52470 1 44 . 1 . 1 11 11 PHE C C 13 180.509 0.000 . 1 . . . . . 53 PHE C . 52470 1 45 . 1 . 1 11 11 PHE CA C 13 57.948 0.000 . 1 . . . . . 53 PHE CA . 52470 1 46 . 1 . 1 11 11 PHE CB C 13 46.374 0.050 . 1 . . . . . 53 PHE CB . 52470 1 47 . 1 . 1 11 11 PHE N N 15 113.977 0.191 . 1 . . . . . 53 PHE N . 52470 1 48 . 1 . 1 12 12 THR H H 1 8.257 0.005 . 1 . . . . . 54 THR H . 52470 1 49 . 1 . 1 12 12 THR C C 13 176.068 0.000 . 1 . . . . . 54 THR C . 52470 1 50 . 1 . 1 12 12 THR CA C 13 65.257 0.000 . 1 . . . . . 54 THR CA . 52470 1 51 . 1 . 1 12 12 THR CB C 13 72.481 0.000 . 1 . . . . . 54 THR CB . 52470 1 52 . 1 . 1 12 12 THR N N 15 112.482 0.136 . 1 . . . . . 54 THR N . 52470 1 53 . 1 . 1 13 13 ALA H H 1 8.477 0.018 . 1 . . . . . 55 ALA H . 52470 1 54 . 1 . 1 13 13 ALA C C 13 181.033 0.000 . 1 . . . . . 55 ALA C . 52470 1 55 . 1 . 1 13 13 ALA CA C 13 54.265 0.000 . 1 . . . . . 55 ALA CA . 52470 1 56 . 1 . 1 13 13 ALA CB C 13 23.925 0.000 . 1 . . . . . 55 ALA CB . 52470 1 57 . 1 . 1 13 13 ALA N N 15 120.779 0.122 . 1 . . . . . 55 ALA N . 52470 1 58 . 1 . 1 14 14 LEU H H 1 9.090 0.014 . 1 . . . . . 56 LEU H . 52470 1 59 . 1 . 1 14 14 LEU C C 13 179.735 0.000 . 1 . . . . . 56 LEU C . 52470 1 60 . 1 . 1 14 14 LEU CA C 13 56.266 0.000 . 1 . . . . . 56 LEU CA . 52470 1 61 . 1 . 1 14 14 LEU CB C 13 47.890 0.000 . 1 . . . . . 56 LEU CB . 52470 1 62 . 1 . 1 14 14 LEU N N 15 118.678 0.172 . 1 . . . . . 56 LEU N . 52470 1 63 . 1 . 1 15 15 THR H H 1 9.456 0.017 . 1 . . . . . 57 THR H . 52470 1 64 . 1 . 1 15 15 THR C C 13 175.305 0.000 . 1 . . . . . 57 THR C . 52470 1 65 . 1 . 1 15 15 THR CA C 13 65.019 0.000 . 1 . . . . . 57 THR CA . 52470 1 66 . 1 . 1 15 15 THR CB C 13 72.447 0.000 . 1 . . . . . 57 THR CB . 52470 1 67 . 1 . 1 15 15 THR N N 15 119.853 0.217 . 1 . . . . . 57 THR N . 52470 1 68 . 1 . 1 16 16 GLN H H 1 8.637 0.014 . 1 . . . . . 58 GLN H . 52470 1 69 . 1 . 1 16 16 GLN C C 13 176.776 0.000 . 1 . . . . . 58 GLN C . 52470 1 70 . 1 . 1 16 16 GLN CA C 13 56.898 0.000 . 1 . . . . . 58 GLN CA . 52470 1 71 . 1 . 1 16 16 GLN CB C 13 33.253 0.000 . 1 . . . . . 58 GLN CB . 52470 1 72 . 1 . 1 16 16 GLN N N 15 110.840 0.000 . 1 . . . . . 58 GLN N . 52470 1 73 . 1 . 1 17 17 HIS H H 1 8.424 0.022 . 1 . . . . . 59 HIS H . 52470 1 74 . 1 . 1 17 17 HIS C C 13 178.876 0.000 . 1 . . . . . 59 HIS C . 52470 1 75 . 1 . 1 17 17 HIS CA C 13 58.972 0.000 . 1 . . . . . 59 HIS CA . 52470 1 76 . 1 . 1 17 17 HIS CB C 13 33.446 0.000 . 1 . . . . . 59 HIS CB . 52470 1 77 . 1 . 1 17 17 HIS N N 15 124.717 0.159 . 1 . . . . . 59 HIS N . 52470 1 78 . 1 . 1 18 18 GLY H H 1 7.708 0.010 . 1 . . . . . 60 GLY H . 52470 1 79 . 1 . 1 18 18 GLY C C 13 176.811 0.000 . 1 . . . . . 60 GLY C . 52470 1 80 . 1 . 1 18 18 GLY CA C 13 46.959 0.000 . 1 . . . . . 60 GLY CA . 52470 1 81 . 1 . 1 18 18 GLY N N 15 108.443 0.132 . 1 . . . . . 60 GLY N . 52470 1 82 . 1 . 1 19 19 LYS H H 1 8.481 0.030 . 1 . . . . . 61 LYS H . 52470 1 83 . 1 . 1 19 19 LYS C C 13 179.826 0.000 . 1 . . . . . 61 LYS C . 52470 1 84 . 1 . 1 19 19 LYS CA C 13 59.038 0.000 . 1 . . . . . 61 LYS CA . 52470 1 85 . 1 . 1 19 19 LYS CB C 13 35.883 0.000 . 1 . . . . . 61 LYS CB . 52470 1 86 . 1 . 1 19 19 LYS N N 15 117.425 0.302 . 1 . . . . . 61 LYS N . 52470 1 87 . 1 . 1 20 20 GLU H H 1 7.975 0.012 . 1 . . . . . 62 GLU H . 52470 1 88 . 1 . 1 20 20 GLU C C 13 178.301 0.000 . 1 . . . . . 62 GLU C . 52470 1 89 . 1 . 1 20 20 GLU CA C 13 58.905 0.000 . 1 . . . . . 62 GLU CA . 52470 1 90 . 1 . 1 20 20 GLU CB C 13 33.466 0.000 . 1 . . . . . 62 GLU CB . 52470 1 91 . 1 . 1 20 20 GLU N N 15 120.467 0.237 . 1 . . . . . 62 GLU N . 52470 1 92 . 1 . 1 21 21 ASP H H 1 8.318 0.008 . 1 . . . . . 63 ASP H . 52470 1 93 . 1 . 1 21 21 ASP C C 13 177.734 0.000 . 1 . . . . . 63 ASP C . 52470 1 94 . 1 . 1 21 21 ASP CA C 13 56.902 0.000 . 1 . . . . . 63 ASP CA . 52470 1 95 . 1 . 1 21 21 ASP CB C 13 44.287 0.000 . 1 . . . . . 63 ASP CB . 52470 1 96 . 1 . 1 21 21 ASP N N 15 119.986 0.133 . 1 . . . . . 63 ASP N . 52470 1 97 . 1 . 1 22 22 LEU H H 1 5.436 0.000 . 1 . . . . . 64 LEU H . 52470 1 98 . 1 . 1 22 22 LEU C C 13 176.375 0.000 . 1 . . . . . 64 LEU C . 52470 1 99 . 1 . 1 22 22 LEU CA C 13 57.648 0.000 . 1 . . . . . 64 LEU CA . 52470 1 100 . 1 . 1 22 22 LEU CB C 13 42.006 0.000 . 1 . . . . . 64 LEU CB . 52470 1 101 . 1 . 1 22 22 LEU N N 15 121.142 0.000 . 1 . . . . . 64 LEU N . 52470 1 102 . 1 . 1 23 23 LYS H H 1 5.891 0.008 . 1 . . . . . 65 LYS H . 52470 1 103 . 1 . 1 23 23 LYS C C 13 181.818 0.000 . 1 . . . . . 65 LYS C . 52470 1 104 . 1 . 1 23 23 LYS CA C 13 58.131 0.000 . 1 . . . . . 65 LYS CA . 52470 1 105 . 1 . 1 23 23 LYS CB C 13 37.744 0.000 . 1 . . . . . 65 LYS CB . 52470 1 106 . 1 . 1 23 23 LYS N N 15 120.081 0.164 . 1 . . . . . 65 LYS N . 52470 1 107 . 1 . 1 24 24 PHE H H 1 8.120 0.013 . 1 . . . . . 66 PHE H . 52470 1 108 . 1 . 1 24 24 PHE C C 13 176.371 0.000 . 1 . . . . . 66 PHE C . 52470 1 109 . 1 . 1 24 24 PHE CA C 13 58.555 0.000 . 1 . . . . . 66 PHE CA . 52470 1 110 . 1 . 1 24 24 PHE CB C 13 45.418 0.000 . 1 . . . . . 66 PHE CB . 52470 1 111 . 1 . 1 24 24 PHE N N 15 118.459 0.280 . 1 . . . . . 66 PHE N . 52470 1 112 . 1 . 1 25 25 PRO C C 13 178.034 0.000 . 1 . . . . . 67 PRO C . 52470 1 113 . 1 . 1 25 25 PRO CA C 13 64.811 0.000 . 1 . . . . . 67 PRO CA . 52470 1 114 . 1 . 1 25 25 PRO CB C 13 35.226 0.000 . 1 . . . . . 67 PRO CB . 52470 1 115 . 1 . 1 26 26 ARG H H 1 8.422 0.024 . 1 . . . . . 68 ARG H . 52470 1 116 . 1 . 1 26 26 ARG C C 13 180.294 0.000 . 1 . . . . . 68 ARG C . 52470 1 117 . 1 . 1 26 26 ARG CA C 13 60.966 0.000 . 1 . . . . . 68 ARG CA . 52470 1 118 . 1 . 1 26 26 ARG CB C 13 32.575 0.000 . 1 . . . . . 68 ARG CB . 52470 1 119 . 1 . 1 26 26 ARG N N 15 121.586 0.300 . 1 . . . . . 68 ARG N . 52470 1 120 . 1 . 1 27 27 GLY H H 1 8.960 0.011 . 1 . . . . . 69 GLY H . 52470 1 121 . 1 . 1 27 27 GLY C C 13 177.475 0.000 . 1 . . . . . 69 GLY C . 52470 1 122 . 1 . 1 27 27 GLY CA C 13 47.908 0.000 . 1 . . . . . 69 GLY CA . 52470 1 123 . 1 . 1 27 27 GLY N N 15 115.647 0.175 . 1 . . . . . 69 GLY N . 52470 1 124 . 1 . 1 28 28 GLN H H 1 8.148 0.018 . 1 . . . . . 70 GLN H . 52470 1 125 . 1 . 1 28 28 GLN C C 13 178.523 0.000 . 1 . . . . . 70 GLN C . 52470 1 126 . 1 . 1 28 28 GLN CA C 13 57.340 0.000 . 1 . . . . . 70 GLN CA . 52470 1 127 . 1 . 1 28 28 GLN CB C 13 34.344 0.000 . 1 . . . . . 70 GLN CB . 52470 1 128 . 1 . 1 28 28 GLN N N 15 119.384 0.288 . 1 . . . . . 70 GLN N . 52470 1 129 . 1 . 1 29 29 GLY H H 1 8.394 0.019 . 1 . . . . . 71 GLY H . 52470 1 130 . 1 . 1 29 29 GLY C C 13 175.108 0.006 . 1 . . . . . 71 GLY C . 52470 1 131 . 1 . 1 29 29 GLY CA C 13 46.114 0.000 . 1 . . . . . 71 GLY CA . 52470 1 132 . 1 . 1 29 29 GLY N N 15 102.713 0.204 . 1 . . . . . 71 GLY N . 52470 1 133 . 1 . 1 30 30 VAL H H 1 7.386 0.010 . 1 . . . . . 72 VAL H . 52470 1 134 . 1 . 1 30 30 VAL C C 13 176.252 0.000 . 1 . . . . . 72 VAL C . 52470 1 135 . 1 . 1 30 30 VAL CA C 13 62.903 0.000 . 1 . . . . . 72 VAL CA . 52470 1 136 . 1 . 1 30 30 VAL CB C 13 33.869 0.000 . 1 . . . . . 72 VAL CB . 52470 1 137 . 1 . 1 30 30 VAL N N 15 122.763 0.189 . 1 . . . . . 72 VAL N . 52470 1 138 . 1 . 1 31 31 PRO C C 13 177.805 0.000 . 1 . . . . . 73 PRO C . 52470 1 139 . 1 . 1 31 31 PRO CA C 13 64.579 0.000 . 1 . . . . . 73 PRO CA . 52470 1 140 . 1 . 1 31 31 PRO CB C 13 34.940 0.000 . 1 . . . . . 73 PRO CB . 52470 1 141 . 1 . 1 32 32 ILE H H 1 7.921 0.016 . 1 . . . . . 74 ILE H . 52470 1 142 . 1 . 1 32 32 ILE C C 13 179.662 0.000 . 1 . . . . . 74 ILE C . 52470 1 143 . 1 . 1 32 32 ILE CA C 13 64.824 0.000 . 1 . . . . . 74 ILE CA . 52470 1 144 . 1 . 1 32 32 ILE CB C 13 41.404 0.000 . 1 . . . . . 74 ILE CB . 52470 1 145 . 1 . 1 32 32 ILE N N 15 118.899 0.135 . 1 . . . . . 74 ILE N . 52470 1 146 . 1 . 1 33 33 ASN H H 1 8.848 0.014 . 1 . . . . . 75 ASN H . 52470 1 147 . 1 . 1 33 33 ASN C C 13 179.596 0.029 . 1 . . . . . 75 ASN C . 52470 1 148 . 1 . 1 33 33 ASN CA C 13 53.942 0.000 . 1 . . . . . 75 ASN CA . 52470 1 149 . 1 . 1 33 33 ASN CB C 13 41.852 0.000 . 1 . . . . . 75 ASN CB . 52470 1 150 . 1 . 1 33 33 ASN N N 15 124.173 0.288 . 1 . . . . . 75 ASN N . 52470 1 151 . 1 . 1 34 34 THR H H 1 9.197 0.006 . 1 . . . . . 76 THR H . 52470 1 152 . 1 . 1 34 34 THR C C 13 178.391 0.000 . 1 . . . . . 76 THR C . 52470 1 153 . 1 . 1 34 34 THR CA C 13 67.404 0.000 . 1 . . . . . 76 THR CA . 52470 1 154 . 1 . 1 34 34 THR CB C 13 71.093 0.000 . 1 . . . . . 76 THR CB . 52470 1 155 . 1 . 1 34 34 THR N N 15 120.363 0.126 . 1 . . . . . 76 THR N . 52470 1 156 . 1 . 1 35 35 ASN H H 1 7.726 0.020 . 1 . . . . . 77 ASN H . 52470 1 157 . 1 . 1 35 35 ASN C C 13 176.183 0.000 . 1 . . . . . 77 ASN C . 52470 1 158 . 1 . 1 35 35 ASN CA C 13 55.463 0.001 . 1 . . . . . 77 ASN CA . 52470 1 159 . 1 . 1 35 35 ASN CB C 13 40.817 0.025 . 1 . . . . . 77 ASN CB . 52470 1 160 . 1 . 1 35 35 ASN N N 15 119.347 0.217 . 1 . . . . . 77 ASN N . 52470 1 161 . 1 . 1 36 36 SER H H 1 7.603 0.030 . 1 . . . . . 78 SER H . 52470 1 162 . 1 . 1 36 36 SER C C 13 175.183 0.000 . 1 . . . . . 78 SER C . 52470 1 163 . 1 . 1 36 36 SER CA C 13 60.251 0.000 . 1 . . . . . 78 SER CA . 52470 1 164 . 1 . 1 36 36 SER CB C 13 68.728 0.000 . 1 . . . . . 78 SER CB . 52470 1 165 . 1 . 1 36 36 SER N N 15 113.479 0.195 . 1 . . . . . 78 SER N . 52470 1 166 . 1 . 1 37 37 SER H H 1 9.548 0.010 . 1 . . . . . 79 SER H . 52470 1 167 . 1 . 1 37 37 SER C C 13 178.017 0.000 . 1 . . . . . 79 SER C . 52470 1 168 . 1 . 1 37 37 SER CA C 13 59.277 0.000 . 1 . . . . . 79 SER CA . 52470 1 169 . 1 . 1 37 37 SER CB C 13 67.119 0.000 . 1 . . . . . 79 SER CB . 52470 1 170 . 1 . 1 37 37 SER N N 15 119.331 0.191 . 1 . . . . . 79 SER N . 52470 1 171 . 1 . 1 38 38 PRO C C 13 180.943 0.000 . 1 . . . . . 80 PRO C . 52470 1 172 . 1 . 1 38 38 PRO CA C 13 69.113 0.000 . 1 . . . . . 80 PRO CA . 52470 1 173 . 1 . 1 38 38 PRO CB C 13 34.459 0.000 . 1 . . . . . 80 PRO CB . 52470 1 174 . 1 . 1 39 39 ASP H H 1 8.089 0.020 . 1 . . . . . 81 ASP H . 52470 1 175 . 1 . 1 39 39 ASP C C 13 180.302 0.000 . 1 . . . . . 81 ASP C . 52470 1 176 . 1 . 1 39 39 ASP CA C 13 59.307 0.000 . 1 . . . . . 81 ASP CA . 52470 1 177 . 1 . 1 39 39 ASP CB C 13 43.951 0.000 . 1 . . . . . 81 ASP CB . 52470 1 178 . 1 . 1 39 39 ASP N N 15 115.297 0.167 . 1 . . . . . 81 ASP N . 52470 1 179 . 1 . 1 40 40 ASP H H 1 8.016 0.016 . 1 . . . . . 82 ASP H . 52470 1 180 . 1 . 1 40 40 ASP C C 13 179.329 0.000 . 1 . . . . . 82 ASP C . 52470 1 181 . 1 . 1 40 40 ASP CA C 13 58.291 0.000 . 1 . . . . . 82 ASP CA . 52470 1 182 . 1 . 1 40 40 ASP CB C 13 45.733 0.000 . 1 . . . . . 82 ASP CB . 52470 1 183 . 1 . 1 40 40 ASP N N 15 114.854 0.205 . 1 . . . . . 82 ASP N . 52470 1 184 . 1 . 1 41 41 GLN H H 1 6.789 0.021 . 1 . . . . . 83 GLN H . 52470 1 185 . 1 . 1 41 41 GLN C C 13 174.795 0.000 . 1 . . . . . 83 GLN C . 52470 1 186 . 1 . 1 41 41 GLN CA C 13 57.612 0.000 . 1 . . . . . 83 GLN CA . 52470 1 187 . 1 . 1 41 41 GLN CB C 13 28.657 0.000 . 1 . . . . . 83 GLN CB . 52470 1 188 . 1 . 1 41 41 GLN N N 15 113.892 0.265 . 1 . . . . . 83 GLN N . 52470 1 189 . 1 . 1 42 42 ILE H H 1 9.172 0.003 . 1 . . . . . 84 ILE H . 52470 1 190 . 1 . 1 42 42 ILE C C 13 177.318 0.000 . 1 . . . . . 84 ILE C . 52470 1 191 . 1 . 1 42 42 ILE CA C 13 62.679 0.000 . 1 . . . . . 84 ILE CA . 52470 1 192 . 1 . 1 42 42 ILE CB C 13 41.963 0.000 . 1 . . . . . 84 ILE CB . 52470 1 193 . 1 . 1 42 42 ILE N N 15 123.092 0.094 . 1 . . . . . 84 ILE N . 52470 1 194 . 1 . 1 43 43 GLY H H 1 9.655 0.016 . 1 . . . . . 85 GLY H . 52470 1 195 . 1 . 1 43 43 GLY C C 13 177.423 0.000 . 1 . . . . . 85 GLY C . 52470 1 196 . 1 . 1 43 43 GLY CA C 13 50.063 0.000 . 1 . . . . . 85 GLY CA . 52470 1 197 . 1 . 1 43 43 GLY N N 15 113.493 0.186 . 1 . . . . . 85 GLY N . 52470 1 198 . 1 . 1 44 44 TYR H H 1 8.430 0.016 . 1 . . . . . 86 TYR H . 52470 1 199 . 1 . 1 44 44 TYR C C 13 176.433 0.000 . 1 . . . . . 86 TYR C . 52470 1 200 . 1 . 1 44 44 TYR CA C 13 56.664 0.000 . 1 . . . . . 86 TYR CA . 52470 1 201 . 1 . 1 44 44 TYR CB C 13 42.433 0.000 . 1 . . . . . 86 TYR CB . 52470 1 202 . 1 . 1 44 44 TYR N N 15 117.202 0.155 . 1 . . . . . 86 TYR N . 52470 1 203 . 1 . 1 45 45 TYR H H 1 9.130 0.003 . 1 . . . . . 87 TYR H . 52470 1 204 . 1 . 1 45 45 TYR C C 13 178.496 0.000 . 1 . . . . . 87 TYR C . 52470 1 205 . 1 . 1 45 45 TYR CA C 13 59.439 0.000 . 1 . . . . . 87 TYR CA . 52470 1 206 . 1 . 1 45 45 TYR CB C 13 45.193 0.000 . 1 . . . . . 87 TYR CB . 52470 1 207 . 1 . 1 45 45 TYR N N 15 115.545 0.170 . 1 . . . . . 87 TYR N . 52470 1 208 . 1 . 1 46 46 ARG H H 1 9.557 0.006 . 1 . . . . . 88 ARG H . 52470 1 209 . 1 . 1 46 46 ARG C C 13 178.324 0.000 . 1 . . . . . 88 ARG C . 52470 1 210 . 1 . 1 46 46 ARG CA C 13 55.755 0.000 . 1 . . . . . 88 ARG CA . 52470 1 211 . 1 . 1 46 46 ARG CB C 13 37.401 0.000 . 1 . . . . . 88 ARG CB . 52470 1 212 . 1 . 1 46 46 ARG N N 15 121.708 0.126 . 1 . . . . . 88 ARG N . 52470 1 213 . 1 . 1 47 47 ARG H H 1 8.821 0.014 . 1 . . . . . 89 ARG H . 52470 1 214 . 1 . 1 47 47 ARG C C 13 177.547 0.000 . 1 . . . . . 89 ARG C . 52470 1 215 . 1 . 1 47 47 ARG CA C 13 58.649 0.000 . 1 . . . . . 89 ARG CA . 52470 1 216 . 1 . 1 47 47 ARG CB C 13 32.327 0.000 . 1 . . . . . 89 ARG CB . 52470 1 217 . 1 . 1 47 47 ARG N N 15 132.126 0.245 . 1 . . . . . 89 ARG N . 52470 1 218 . 1 . 1 48 48 ALA H H 1 9.198 0.010 . 1 . . . . . 90 ALA H . 52470 1 219 . 1 . 1 48 48 ALA C C 13 179.700 0.000 . 1 . . . . . 90 ALA C . 52470 1 220 . 1 . 1 48 48 ALA CA C 13 54.235 0.000 . 1 . . . . . 90 ALA CA . 52470 1 221 . 1 . 1 48 48 ALA CB C 13 23.837 0.000 . 1 . . . . . 90 ALA CB . 52470 1 222 . 1 . 1 48 48 ALA N N 15 130.916 0.103 . 1 . . . . . 90 ALA N . 52470 1 223 . 1 . 1 49 49 THR H H 1 8.352 0.021 . 1 . . . . . 91 THR H . 52470 1 224 . 1 . 1 49 49 THR C C 13 176.898 0.000 . 1 . . . . . 91 THR C . 52470 1 225 . 1 . 1 49 49 THR CA C 13 64.029 0.000 . 1 . . . . . 91 THR CA . 52470 1 226 . 1 . 1 49 49 THR CB C 13 72.862 0.000 . 1 . . . . . 91 THR CB . 52470 1 227 . 1 . 1 49 49 THR N N 15 116.292 0.129 . 1 . . . . . 91 THR N . 52470 1 228 . 1 . 1 50 50 ARG H H 1 8.694 0.017 . 1 . . . . . 92 ARG H . 52470 1 229 . 1 . 1 50 50 ARG C C 13 177.005 0.000 . 1 . . . . . 92 ARG C . 52470 1 230 . 1 . 1 50 50 ARG CA C 13 58.430 0.000 . 1 . . . . . 92 ARG CA . 52470 1 231 . 1 . 1 50 50 ARG CB C 13 35.563 0.000 . 1 . . . . . 92 ARG CB . 52470 1 232 . 1 . 1 50 50 ARG N N 15 124.625 0.226 . 1 . . . . . 92 ARG N . 52470 1 233 . 1 . 1 51 51 ARG H H 1 8.379 0.033 . 1 . . . . . 93 ARG H . 52470 1 234 . 1 . 1 51 51 ARG C C 13 178.384 0.000 . 1 . . . . . 93 ARG C . 52470 1 235 . 1 . 1 51 51 ARG CA C 13 57.718 0.000 . 1 . . . . . 93 ARG CA . 52470 1 236 . 1 . 1 51 51 ARG CB C 13 35.328 0.000 . 1 . . . . . 93 ARG CB . 52470 1 237 . 1 . 1 51 51 ARG N N 15 122.913 0.319 . 1 . . . . . 93 ARG N . 52470 1 238 . 1 . 1 52 52 ILE H H 1 8.642 0.018 . 1 . . . . . 94 ILE H . 52470 1 239 . 1 . 1 52 52 ILE C C 13 176.995 0.000 . 1 . . . . . 94 ILE C . 52470 1 240 . 1 . 1 52 52 ILE CA C 13 62.305 0.000 . 1 . . . . . 94 ILE CA . 52470 1 241 . 1 . 1 52 52 ILE CB C 13 44.340 0.000 . 1 . . . . . 94 ILE CB . 52470 1 242 . 1 . 1 52 52 ILE N N 15 120.252 0.135 . 1 . . . . . 94 ILE N . 52470 1 243 . 1 . 1 53 53 ARG H H 1 8.511 0.013 . 1 . . . . . 95 ARG H . 52470 1 244 . 1 . 1 53 53 ARG C C 13 179.689 0.000 . 1 . . . . . 95 ARG C . 52470 1 245 . 1 . 1 53 53 ARG CA C 13 59.043 0.004 . 1 . . . . . 95 ARG CA . 52470 1 246 . 1 . 1 53 53 ARG CB C 13 33.419 0.000 . 1 . . . . . 95 ARG CB . 52470 1 247 . 1 . 1 53 53 ARG N N 15 125.169 0.170 . 1 . . . . . 95 ARG N . 52470 1 248 . 1 . 1 54 54 GLY H H 1 8.691 0.015 . 1 . . . . . 96 GLY H . 52470 1 249 . 1 . 1 54 54 GLY C C 13 178.257 0.000 . 1 . . . . . 96 GLY C . 52470 1 250 . 1 . 1 54 54 GLY CA C 13 47.141 0.000 . 1 . . . . . 96 GLY CA . 52470 1 251 . 1 . 1 54 54 GLY N N 15 113.357 0.214 . 1 . . . . . 96 GLY N . 52470 1 252 . 1 . 1 55 55 GLY C C 13 176.916 0.000 . 1 . . . . . 97 GLY C . 52470 1 253 . 1 . 1 55 55 GLY CA C 13 49.175 0.000 . 1 . . . . . 97 GLY CA . 52470 1 254 . 1 . 1 56 56 ASP H H 1 8.122 0.024 . 1 . . . . . 98 ASP H . 52470 1 255 . 1 . 1 56 56 ASP C C 13 179.764 0.000 . 1 . . . . . 98 ASP C . 52470 1 256 . 1 . 1 56 56 ASP CA C 13 55.724 0.013 . 1 . . . . . 98 ASP CA . 52470 1 257 . 1 . 1 56 56 ASP CB C 13 43.013 0.003 . 1 . . . . . 98 ASP CB . 52470 1 258 . 1 . 1 56 56 ASP N N 15 118.062 0.125 . 1 . . . . . 98 ASP N . 52470 1 259 . 1 . 1 57 57 GLY H H 1 8.170 0.006 . 1 . . . . . 99 GLY H . 52470 1 260 . 1 . 1 57 57 GLY C C 13 176.788 0.000 . 1 . . . . . 99 GLY C . 52470 1 261 . 1 . 1 57 57 GLY CA C 13 47.927 0.000 . 1 . . . . . 99 GLY CA . 52470 1 262 . 1 . 1 57 57 GLY N N 15 108.171 0.196 . 1 . . . . . 99 GLY N . 52470 1 263 . 1 . 1 58 58 LYS H H 1 7.904 0.012 . 1 . . . . . 100 LYS H . 52470 1 264 . 1 . 1 58 58 LYS C C 13 179.707 0.000 . 1 . . . . . 100 LYS C . 52470 1 265 . 1 . 1 58 58 LYS CA C 13 58.258 0.000 . 1 . . . . . 100 LYS CA . 52470 1 266 . 1 . 1 58 58 LYS CB C 13 35.641 0.000 . 1 . . . . . 100 LYS CB . 52470 1 267 . 1 . 1 58 58 LYS N N 15 120.723 0.281 . 1 . . . . . 100 LYS N . 52470 1 268 . 1 . 1 59 59 MET H H 1 8.637 0.011 . 1 . . . . . 101 MET H . 52470 1 269 . 1 . 1 59 59 MET C C 13 179.016 0.000 . 1 . . . . . 101 MET C . 52470 1 270 . 1 . 1 59 59 MET CA C 13 57.363 0.000 . 1 . . . . . 101 MET CA . 52470 1 271 . 1 . 1 59 59 MET CB C 13 34.375 0.000 . 1 . . . . . 101 MET CB . 52470 1 272 . 1 . 1 59 59 MET N N 15 121.707 0.226 . 1 . . . . . 101 MET N . 52470 1 273 . 1 . 1 60 60 LYS H H 1 8.987 0.010 . 1 . . . . . 102 LYS H . 52470 1 274 . 1 . 1 60 60 LYS C C 13 177.633 0.000 . 1 . . . . . 102 LYS C . 52470 1 275 . 1 . 1 60 60 LYS CA C 13 57.640 0.000 . 1 . . . . . 102 LYS CA . 52470 1 276 . 1 . 1 60 60 LYS CB C 13 37.304 0.000 . 1 . . . . . 102 LYS CB . 52470 1 277 . 1 . 1 60 60 LYS N N 15 123.258 0.147 . 1 . . . . . 102 LYS N . 52470 1 278 . 1 . 1 61 61 ASP H H 1 8.417 0.020 . 1 . . . . . 103 ASP H . 52470 1 279 . 1 . 1 61 61 ASP C C 13 179.052 0.000 . 1 . . . . . 103 ASP C . 52470 1 280 . 1 . 1 61 61 ASP CA C 13 57.258 0.000 . 1 . . . . . 103 ASP CA . 52470 1 281 . 1 . 1 61 61 ASP CB C 13 44.286 0.000 . 1 . . . . . 103 ASP CB . 52470 1 282 . 1 . 1 61 61 ASP N N 15 121.924 0.151 . 1 . . . . . 103 ASP N . 52470 1 283 . 1 . 1 62 62 LEU H H 1 8.376 0.024 . 1 . . . . . 104 LEU H . 52470 1 284 . 1 . 1 62 62 LEU C C 13 179.796 0.000 . 1 . . . . . 104 LEU C . 52470 1 285 . 1 . 1 62 62 LEU CA C 13 56.394 0.023 . 1 . . . . . 104 LEU CA . 52470 1 286 . 1 . 1 62 62 LEU CB C 13 45.416 0.001 . 1 . . . . . 104 LEU CB . 52470 1 287 . 1 . 1 62 62 LEU N N 15 123.268 0.186 . 1 . . . . . 104 LEU N . 52470 1 288 . 1 . 1 63 63 SER H H 1 8.301 0.018 . 1 . . . . . 105 SER H . 52470 1 289 . 1 . 1 63 63 SER C C 13 175.011 0.000 . 1 . . . . . 105 SER C . 52470 1 290 . 1 . 1 63 63 SER CA C 13 60.677 0.000 . 1 . . . . . 105 SER CA . 52470 1 291 . 1 . 1 63 63 SER CB C 13 65.354 0.000 . 1 . . . . . 105 SER CB . 52470 1 292 . 1 . 1 63 63 SER N N 15 117.780 0.262 . 1 . . . . . 105 SER N . 52470 1 293 . 1 . 1 64 64 PRO C C 13 177.645 0.000 . 1 . . . . . 106 PRO C . 52470 1 294 . 1 . 1 64 64 PRO CA C 13 66.199 0.000 . 1 . . . . . 106 PRO CA . 52470 1 295 . 1 . 1 64 64 PRO CB C 13 35.397 0.000 . 1 . . . . . 106 PRO CB . 52470 1 296 . 1 . 1 65 65 ARG H H 1 8.232 0.009 . 1 . . . . . 107 ARG H . 52470 1 297 . 1 . 1 65 65 ARG C C 13 177.956 0.000 . 1 . . . . . 107 ARG C . 52470 1 298 . 1 . 1 65 65 ARG CA C 13 57.088 0.000 . 1 . . . . . 107 ARG CA . 52470 1 299 . 1 . 1 65 65 ARG CB C 13 37.123 0.000 . 1 . . . . . 107 ARG CB . 52470 1 300 . 1 . 1 65 65 ARG N N 15 120.060 0.243 . 1 . . . . . 107 ARG N . 52470 1 301 . 1 . 1 66 66 TRP H H 1 9.717 0.006 . 1 . . . . . 108 TRP H . 52470 1 302 . 1 . 1 66 66 TRP HE1 H 1 11.212 0.000 . 1 . . . . . 108 TRP HE1 . 52470 1 303 . 1 . 1 66 66 TRP C C 13 177.209 0.000 . 1 . . . . . 108 TRP C . 52470 1 304 . 1 . 1 66 66 TRP CA C 13 58.568 0.000 . 1 . . . . . 108 TRP CA . 52470 1 305 . 1 . 1 66 66 TRP CB C 13 34.314 0.000 . 1 . . . . . 108 TRP CB . 52470 1 306 . 1 . 1 66 66 TRP N N 15 122.851 0.111 . 1 . . . . . 108 TRP N . 52470 1 307 . 1 . 1 66 66 TRP NE1 N 15 130.271 0.000 . 1 . . . . . 108 TRP NE1 . 52470 1 308 . 1 . 1 67 67 ALA H H 1 8.514 0.000 . 1 . . . . . 109 ALA H . 52470 1 309 . 1 . 1 67 67 ALA C C 13 178.653 0.000 . 1 . . . . . 109 ALA C . 52470 1 310 . 1 . 1 67 67 ALA CA C 13 52.452 0.000 . 1 . . . . . 109 ALA CA . 52470 1 311 . 1 . 1 67 67 ALA CB C 13 25.887 0.000 . 1 . . . . . 109 ALA CB . 52470 1 312 . 1 . 1 67 67 ALA N N 15 124.948 0.000 . 1 . . . . . 109 ALA N . 52470 1 313 . 1 . 1 68 68 PHE H H 1 9.104 0.015 . 1 . . . . . 110 PHE H . 52470 1 314 . 1 . 1 68 68 PHE C C 13 177.667 0.000 . 1 . . . . . 110 PHE C . 52470 1 315 . 1 . 1 68 68 PHE CA C 13 59.473 0.000 . 1 . . . . . 110 PHE CA . 52470 1 316 . 1 . 1 68 68 PHE CB C 13 42.640 0.000 . 1 . . . . . 110 PHE CB . 52470 1 317 . 1 . 1 68 68 PHE N N 15 120.757 0.175 . 1 . . . . . 110 PHE N . 52470 1 318 . 1 . 1 69 69 TYR H H 1 8.253 0.025 . 1 . . . . . 111 TYR H . 52470 1 319 . 1 . 1 69 69 TYR C C 13 174.508 0.000 . 1 . . . . . 111 TYR C . 52470 1 320 . 1 . 1 69 69 TYR CA C 13 59.538 0.000 . 1 . . . . . 111 TYR CA . 52470 1 321 . 1 . 1 69 69 TYR CB C 13 43.313 0.000 . 1 . . . . . 111 TYR CB . 52470 1 322 . 1 . 1 69 69 TYR N N 15 128.242 0.300 . 1 . . . . . 111 TYR N . 52470 1 323 . 1 . 1 70 70 TYR H H 1 6.845 0.011 . 1 . . . . . 112 TYR H . 52470 1 324 . 1 . 1 70 70 TYR C C 13 179.463 0.000 . 1 . . . . . 112 TYR C . 52470 1 325 . 1 . 1 70 70 TYR CA C 13 62.826 0.000 . 1 . . . . . 112 TYR CA . 52470 1 326 . 1 . 1 70 70 TYR CB C 13 42.298 0.000 . 1 . . . . . 112 TYR CB . 52470 1 327 . 1 . 1 70 70 TYR N N 15 116.502 0.142 . 1 . . . . . 112 TYR N . 52470 1 328 . 1 . 1 71 71 LEU H H 1 9.053 0.033 . 1 . . . . . 113 LEU H . 52470 1 329 . 1 . 1 71 71 LEU C C 13 179.037 0.000 . 1 . . . . . 113 LEU C . 52470 1 330 . 1 . 1 71 71 LEU CA C 13 59.503 0.000 . 1 . . . . . 113 LEU CA . 52470 1 331 . 1 . 1 71 71 LEU CB C 13 48.265 0.000 . 1 . . . . . 113 LEU CB . 52470 1 332 . 1 . 1 71 71 LEU N N 15 124.942 0.164 . 1 . . . . . 113 LEU N . 52470 1 333 . 1 . 1 72 72 GLY H H 1 9.955 0.006 . 1 . . . . . 114 GLY H . 52470 1 334 . 1 . 1 72 72 GLY C C 13 176.282 0.000 . 1 . . . . . 114 GLY C . 52470 1 335 . 1 . 1 72 72 GLY CA C 13 48.684 0.000 . 1 . . . . . 114 GLY CA . 52470 1 336 . 1 . 1 72 72 GLY N N 15 114.481 0.116 . 1 . . . . . 114 GLY N . 52470 1 337 . 1 . 1 73 73 THR H H 1 8.179 0.017 . 1 . . . . . 115 THR H . 52470 1 338 . 1 . 1 73 73 THR C C 13 177.232 0.000 . 1 . . . . . 115 THR C . 52470 1 339 . 1 . 1 73 73 THR CA C 13 62.057 0.000 . 1 . . . . . 115 THR CA . 52470 1 340 . 1 . 1 73 73 THR CB C 13 76.365 0.000 . 1 . . . . . 115 THR CB . 52470 1 341 . 1 . 1 73 73 THR N N 15 108.871 0.224 . 1 . . . . . 115 THR N . 52470 1 342 . 1 . 1 74 74 GLY H H 1 9.175 0.009 . 1 . . . . . 116 GLY H . 52470 1 343 . 1 . 1 74 74 GLY C C 13 175.029 0.000 . 1 . . . . . 116 GLY C . 52470 1 344 . 1 . 1 74 74 GLY CA C 13 48.354 0.000 . 1 . . . . . 116 GLY CA . 52470 1 345 . 1 . 1 74 74 GLY N N 15 107.308 0.165 . 1 . . . . . 116 GLY N . 52470 1 346 . 1 . 1 75 75 PRO C C 13 180.079 0.000 . 1 . . . . . 117 PRO C . 52470 1 347 . 1 . 1 75 75 PRO CA C 13 67.290 0.000 . 1 . . . . . 117 PRO CA . 52470 1 348 . 1 . 1 75 75 PRO CB C 13 34.960 0.000 . 1 . . . . . 117 PRO CB . 52470 1 349 . 1 . 1 76 76 GLU H H 1 7.651 0.036 . 1 . . . . . 118 GLU H . 52470 1 350 . 1 . 1 76 76 GLU C C 13 179.762 0.000 . 1 . . . . . 118 GLU C . 52470 1 351 . 1 . 1 76 76 GLU CA C 13 55.371 0.035 . 1 . . . . . 118 GLU CA . 52470 1 352 . 1 . 1 76 76 GLU CB C 13 28.312 0.000 . 1 . . . . . 118 GLU CB . 52470 1 353 . 1 . 1 76 76 GLU N N 15 114.833 0.127 . 1 . . . . . 118 GLU N . 52470 1 354 . 1 . 1 77 77 ALA H H 1 7.010 0.021 . 1 . . . . . 119 ALA H . 52470 1 355 . 1 . 1 77 77 ALA C C 13 180.048 0.000 . 1 . . . . . 119 ALA C . 52470 1 356 . 1 . 1 77 77 ALA CA C 13 58.083 0.001 . 1 . . . . . 119 ALA CA . 52470 1 357 . 1 . 1 77 77 ALA CB C 13 21.461 0.049 . 1 . . . . . 119 ALA CB . 52470 1 358 . 1 . 1 77 77 ALA N N 15 123.182 0.161 . 1 . . . . . 119 ALA N . 52470 1 359 . 1 . 1 78 78 GLY H H 1 8.265 0.011 . 1 . . . . . 120 GLY H . 52470 1 360 . 1 . 1 78 78 GLY C C 13 177.413 0.000 . 1 . . . . . 120 GLY C . 52470 1 361 . 1 . 1 78 78 GLY CA C 13 47.521 0.050 . 1 . . . . . 120 GLY CA . 52470 1 362 . 1 . 1 78 78 GLY N N 15 101.108 0.177 . 1 . . . . . 120 GLY N . 52470 1 363 . 1 . 1 79 79 LEU H H 1 7.557 0.016 . 1 . . . . . 121 LEU H . 52470 1 364 . 1 . 1 79 79 LEU C C 13 177.565 0.000 . 1 . . . . . 121 LEU C . 52470 1 365 . 1 . 1 79 79 LEU CA C 13 54.995 0.000 . 1 . . . . . 121 LEU CA . 52470 1 366 . 1 . 1 79 79 LEU CB C 13 45.021 0.000 . 1 . . . . . 121 LEU CB . 52470 1 367 . 1 . 1 79 79 LEU N N 15 122.972 0.138 . 1 . . . . . 121 LEU N . 52470 1 368 . 1 . 1 80 80 PRO C C 13 176.947 0.000 . 1 . . . . . 122 PRO C . 52470 1 369 . 1 . 1 80 80 PRO CA C 13 64.110 0.000 . 1 . . . . . 122 PRO CA . 52470 1 370 . 1 . 1 80 80 PRO CB C 13 34.572 0.000 . 1 . . . . . 122 PRO CB . 52470 1 371 . 1 . 1 81 81 TYR H H 1 8.528 0.014 . 1 . . . . . 123 TYR H . 52470 1 372 . 1 . 1 81 81 TYR C C 13 179.796 0.000 . 1 . . . . . 123 TYR C . 52470 1 373 . 1 . 1 81 81 TYR CA C 13 62.155 0.000 . 1 . . . . . 123 TYR CA . 52470 1 374 . 1 . 1 81 81 TYR CB C 13 40.492 0.000 . 1 . . . . . 123 TYR CB . 52470 1 375 . 1 . 1 81 81 TYR N N 15 119.119 0.120 . 1 . . . . . 123 TYR N . 52470 1 376 . 1 . 1 82 82 GLY H H 1 3.039 0.000 . 1 . . . . . 124 GLY H . 52470 1 377 . 1 . 1 82 82 GLY C C 13 180.175 0.000 . 1 . . . . . 124 GLY C . 52470 1 378 . 1 . 1 82 82 GLY CA C 13 47.398 0.000 . 1 . . . . . 124 GLY CA . 52470 1 379 . 1 . 1 82 82 GLY N N 15 112.253 0.000 . 1 . . . . . 124 GLY N . 52470 1 380 . 1 . 1 83 83 ALA H H 1 7.360 0.015 . 1 . . . . . 125 ALA H . 52470 1 381 . 1 . 1 83 83 ALA C C 13 180.614 0.000 . 1 . . . . . 125 ALA C . 52470 1 382 . 1 . 1 83 83 ALA CA C 13 55.725 0.000 . 1 . . . . . 125 ALA CA . 52470 1 383 . 1 . 1 83 83 ALA CB C 13 22.533 0.000 . 1 . . . . . 125 ALA CB . 52470 1 384 . 1 . 1 83 83 ALA N N 15 123.508 0.312 . 1 . . . . . 125 ALA N . 52470 1 385 . 1 . 1 84 84 ASN H H 1 8.782 0.022 . 1 . . . . . 126 ASN H . 52470 1 386 . 1 . 1 84 84 ASN C C 13 177.237 0.000 . 1 . . . . . 126 ASN C . 52470 1 387 . 1 . 1 84 84 ASN CA C 13 56.164 0.077 . 1 . . . . . 126 ASN CA . 52470 1 388 . 1 . 1 84 84 ASN CB C 13 41.664 0.000 . 1 . . . . . 126 ASN CB . 52470 1 389 . 1 . 1 84 84 ASN N N 15 121.793 0.209 . 1 . . . . . 126 ASN N . 52470 1 390 . 1 . 1 85 85 LYS H H 1 8.735 0.021 . 1 . . . . . 127 LYS H . 52470 1 391 . 1 . 1 85 85 LYS C C 13 176.903 0.000 . 1 . . . . . 127 LYS C . 52470 1 392 . 1 . 1 85 85 LYS CA C 13 59.381 0.000 . 1 . . . . . 127 LYS CA . 52470 1 393 . 1 . 1 85 85 LYS CB C 13 37.845 0.000 . 1 . . . . . 127 LYS CB . 52470 1 394 . 1 . 1 85 85 LYS N N 15 128.167 0.244 . 1 . . . . . 127 LYS N . 52470 1 395 . 1 . 1 86 86 ASP H H 1 8.572 0.009 . 1 . . . . . 128 ASP H . 52470 1 396 . 1 . 1 86 86 ASP C C 13 179.678 0.000 . 1 . . . . . 128 ASP C . 52470 1 397 . 1 . 1 86 86 ASP CA C 13 59.176 0.038 . 1 . . . . . 128 ASP CA . 52470 1 398 . 1 . 1 86 86 ASP CB C 13 44.008 0.043 . 1 . . . . . 128 ASP CB . 52470 1 399 . 1 . 1 86 86 ASP N N 15 126.451 0.138 . 1 . . . . . 128 ASP N . 52470 1 400 . 1 . 1 87 87 GLY H H 1 9.130 0.025 . 1 . . . . . 129 GLY H . 52470 1 401 . 1 . 1 87 87 GLY C C 13 174.314 0.000 . 1 . . . . . 129 GLY C . 52470 1 402 . 1 . 1 87 87 GLY CA C 13 48.296 0.000 . 1 . . . . . 129 GLY CA . 52470 1 403 . 1 . 1 87 87 GLY N N 15 113.488 0.200 . 1 . . . . . 129 GLY N . 52470 1 404 . 1 . 1 88 88 ILE H H 1 7.783 0.017 . 1 . . . . . 130 ILE H . 52470 1 405 . 1 . 1 88 88 ILE C C 13 179.364 0.000 . 1 . . . . . 130 ILE C . 52470 1 406 . 1 . 1 88 88 ILE CA C 13 60.553 0.000 . 1 . . . . . 130 ILE CA . 52470 1 407 . 1 . 1 88 88 ILE CB C 13 40.409 0.000 . 1 . . . . . 130 ILE CB . 52470 1 408 . 1 . 1 88 88 ILE N N 15 118.509 0.229 . 1 . . . . . 130 ILE N . 52470 1 409 . 1 . 1 89 89 ILE H H 1 8.883 0.032 . 1 . . . . . 131 ILE H . 52470 1 410 . 1 . 1 89 89 ILE C C 13 177.302 0.000 . 1 . . . . . 131 ILE C . 52470 1 411 . 1 . 1 89 89 ILE CA C 13 60.863 0.000 . 1 . . . . . 131 ILE CA . 52470 1 412 . 1 . 1 89 89 ILE CB C 13 43.980 0.000 . 1 . . . . . 131 ILE CB . 52470 1 413 . 1 . 1 89 89 ILE N N 15 123.486 0.178 . 1 . . . . . 131 ILE N . 52470 1 414 . 1 . 1 90 90 TRP H H 1 8.663 0.016 . 1 . . . . . 132 TRP H . 52470 1 415 . 1 . 1 90 90 TRP HE1 H 1 10.863 0.000 . 1 . . . . . 132 TRP HE1 . 52470 1 416 . 1 . 1 90 90 TRP C C 13 179.383 0.000 . 1 . . . . . 132 TRP C . 52470 1 417 . 1 . 1 90 90 TRP CA C 13 59.681 0.000 . 1 . . . . . 132 TRP CA . 52470 1 418 . 1 . 1 90 90 TRP CB C 13 33.439 0.000 . 1 . . . . . 132 TRP CB . 52470 1 419 . 1 . 1 90 90 TRP N N 15 125.123 0.131 . 1 . . . . . 132 TRP N . 52470 1 420 . 1 . 1 90 90 TRP NE1 N 15 131.817 0.000 . 1 . . . . . 132 TRP NE1 . 52470 1 421 . 1 . 1 91 91 VAL H H 1 9.504 0.004 . 1 . . . . . 133 VAL H . 52470 1 422 . 1 . 1 91 91 VAL C C 13 176.639 0.000 . 1 . . . . . 133 VAL C . 52470 1 423 . 1 . 1 91 91 VAL CA C 13 62.185 0.000 . 1 . . . . . 133 VAL CA . 52470 1 424 . 1 . 1 91 91 VAL CB C 13 38.870 0.000 . 1 . . . . . 133 VAL CB . 52470 1 425 . 1 . 1 91 91 VAL N N 15 116.185 0.150 . 1 . . . . . 133 VAL N . 52470 1 426 . 1 . 1 92 92 ALA H H 1 8.591 0.021 . 1 . . . . . 134 ALA H . 52470 1 427 . 1 . 1 92 92 ALA C C 13 179.663 0.000 . 1 . . . . . 134 ALA C . 52470 1 428 . 1 . 1 92 92 ALA CA C 13 55.372 0.000 . 1 . . . . . 134 ALA CA . 52470 1 429 . 1 . 1 92 92 ALA CB C 13 24.469 0.000 . 1 . . . . . 134 ALA CB . 52470 1 430 . 1 . 1 92 92 ALA N N 15 120.150 0.173 . 1 . . . . . 134 ALA N . 52470 1 431 . 1 . 1 93 93 THR H H 1 8.260 0.020 . 1 . . . . . 135 THR H . 52470 1 432 . 1 . 1 93 93 THR C C 13 177.851 0.000 . 1 . . . . . 135 THR C . 52470 1 433 . 1 . 1 93 93 THR CA C 13 64.054 0.000 . 1 . . . . . 135 THR CA . 52470 1 434 . 1 . 1 93 93 THR CB C 13 72.181 0.000 . 1 . . . . . 135 THR CB . 52470 1 435 . 1 . 1 93 93 THR N N 15 117.018 0.243 . 1 . . . . . 135 THR N . 52470 1 436 . 1 . 1 94 94 GLU H H 1 9.012 0.005 . 1 . . . . . 136 GLU H . 52470 1 437 . 1 . 1 94 94 GLU C C 13 180.154 0.000 . 1 . . . . . 136 GLU C . 52470 1 438 . 1 . 1 94 94 GLU CA C 13 61.403 0.006 . 1 . . . . . 136 GLU CA . 52470 1 439 . 1 . 1 94 94 GLU CB C 13 31.864 0.000 . 1 . . . . . 136 GLU CB . 52470 1 440 . 1 . 1 94 94 GLU N N 15 125.947 0.267 . 1 . . . . . 136 GLU N . 52470 1 441 . 1 . 1 95 95 GLY H H 1 8.606 0.006 . 1 . . . . . 137 GLY H . 52470 1 442 . 1 . 1 95 95 GLY C C 13 177.053 0.000 . 1 . . . . . 137 GLY C . 52470 1 443 . 1 . 1 95 95 GLY CA C 13 47.369 0.000 . 1 . . . . . 137 GLY CA . 52470 1 444 . 1 . 1 95 95 GLY N N 15 112.671 0.151 . 1 . . . . . 137 GLY N . 52470 1 445 . 1 . 1 96 96 ALA H H 1 7.475 0.011 . 1 . . . . . 138 ALA H . 52470 1 446 . 1 . 1 96 96 ALA C C 13 179.944 0.000 . 1 . . . . . 138 ALA C . 52470 1 447 . 1 . 1 96 96 ALA CA C 13 55.571 0.000 . 1 . . . . . 138 ALA CA . 52470 1 448 . 1 . 1 96 96 ALA CB C 13 23.091 0.000 . 1 . . . . . 138 ALA CB . 52470 1 449 . 1 . 1 96 96 ALA N N 15 122.926 0.216 . 1 . . . . . 138 ALA N . 52470 1 450 . 1 . 1 97 97 LEU H H 1 8.648 0.020 . 1 . . . . . 139 LEU H . 52470 1 451 . 1 . 1 97 97 LEU C C 13 180.361 0.000 . 1 . . . . . 139 LEU C . 52470 1 452 . 1 . 1 97 97 LEU CA C 13 56.506 0.000 . 1 . . . . . 139 LEU CA . 52470 1 453 . 1 . 1 97 97 LEU CB C 13 46.490 0.043 . 1 . . . . . 139 LEU CB . 52470 1 454 . 1 . 1 97 97 LEU N N 15 120.708 0.207 . 1 . . . . . 139 LEU N . 52470 1 455 . 1 . 1 98 98 ASN H H 1 9.006 0.009 . 1 . . . . . 140 ASN H . 52470 1 456 . 1 . 1 98 98 ASN C C 13 176.665 0.000 . 1 . . . . . 140 ASN C . 52470 1 457 . 1 . 1 98 98 ASN CA C 13 54.706 0.034 . 1 . . . . . 140 ASN CA . 52470 1 458 . 1 . 1 98 98 ASN CB C 13 38.547 0.000 . 1 . . . . . 140 ASN CB . 52470 1 459 . 1 . 1 98 98 ASN N N 15 124.762 0.223 . 1 . . . . . 140 ASN N . 52470 1 460 . 1 . 1 99 99 THR H H 1 7.700 0.031 . 1 . . . . . 141 THR H . 52470 1 461 . 1 . 1 99 99 THR C C 13 174.050 0.000 . 1 . . . . . 141 THR C . 52470 1 462 . 1 . 1 99 99 THR CA C 13 60.420 0.000 . 1 . . . . . 141 THR CA . 52470 1 463 . 1 . 1 99 99 THR CB C 13 72.833 0.000 . 1 . . . . . 141 THR CB . 52470 1 464 . 1 . 1 99 99 THR N N 15 114.760 0.300 . 1 . . . . . 141 THR N . 52470 1 465 . 1 . 1 100 100 PRO C C 13 181.379 0.000 . 1 . . . . . 142 PRO C . 52470 1 466 . 1 . 1 100 100 PRO CA C 13 65.286 0.000 . 1 . . . . . 142 PRO CA . 52470 1 467 . 1 . 1 100 100 PRO CB C 13 35.318 0.000 . 1 . . . . . 142 PRO CB . 52470 1 468 . 1 . 1 101 101 LYS H H 1 8.891 0.002 . 1 . . . . . 143 LYS H . 52470 1 469 . 1 . 1 101 101 LYS C C 13 180.380 0.000 . 1 . . . . . 143 LYS C . 52470 1 470 . 1 . 1 101 101 LYS CA C 13 53.935 0.000 . 1 . . . . . 143 LYS CA . 52470 1 471 . 1 . 1 101 101 LYS CB C 13 29.741 0.000 . 1 . . . . . 143 LYS CB . 52470 1 472 . 1 . 1 101 101 LYS N N 15 119.944 0.110 . 1 . . . . . 143 LYS N . 52470 1 473 . 1 . 1 102 102 ASP H H 1 8.185 0.016 . 1 . . . . . 144 ASP H . 52470 1 474 . 1 . 1 102 102 ASP C C 13 179.100 0.000 . 1 . . . . . 144 ASP C . 52470 1 475 . 1 . 1 102 102 ASP CA C 13 59.640 0.000 . 1 . . . . . 144 ASP CA . 52470 1 476 . 1 . 1 102 102 ASP CB C 13 43.232 0.000 . 1 . . . . . 144 ASP CB . 52470 1 477 . 1 . 1 102 102 ASP N N 15 121.611 0.100 . 1 . . . . . 144 ASP N . 52470 1 478 . 1 . 1 103 103 HIS H H 1 8.704 0.030 . 1 . . . . . 145 HIS H . 52470 1 479 . 1 . 1 103 103 HIS C C 13 178.392 0.001 . 1 . . . . . 145 HIS C . 52470 1 480 . 1 . 1 103 103 HIS CA C 13 60.192 0.000 . 1 . . . . . 145 HIS CA . 52470 1 481 . 1 . 1 103 103 HIS CB C 13 31.762 0.000 . 1 . . . . . 145 HIS CB . 52470 1 482 . 1 . 1 103 103 HIS N N 15 114.204 0.226 . 1 . . . . . 145 HIS N . 52470 1 483 . 1 . 1 104 104 ILE H H 1 6.705 0.005 . 1 . . . . . 146 ILE H . 52470 1 484 . 1 . 1 104 104 ILE C C 13 181.017 0.000 . 1 . . . . . 146 ILE C . 52470 1 485 . 1 . 1 104 104 ILE CA C 13 65.661 0.000 . 1 . . . . . 146 ILE CA . 52470 1 486 . 1 . 1 104 104 ILE CB C 13 41.790 0.000 . 1 . . . . . 146 ILE CB . 52470 1 487 . 1 . 1 104 104 ILE N N 15 122.351 0.137 . 1 . . . . . 146 ILE N . 52470 1 488 . 1 . 1 105 105 GLY H H 1 7.774 0.012 . 1 . . . . . 147 GLY H . 52470 1 489 . 1 . 1 105 105 GLY C C 13 176.882 0.000 . 1 . . . . . 147 GLY C . 52470 1 490 . 1 . 1 105 105 GLY CA C 13 48.589 0.000 . 1 . . . . . 147 GLY CA . 52470 1 491 . 1 . 1 105 105 GLY N N 15 104.800 0.166 . 1 . . . . . 147 GLY N . 52470 1 492 . 1 . 1 106 106 THR H H 1 8.365 0.011 . 1 . . . . . 148 THR H . 52470 1 493 . 1 . 1 106 106 THR C C 13 175.050 0.000 . 1 . . . . . 148 THR C . 52470 1 494 . 1 . 1 106 106 THR CA C 13 62.910 0.000 . 1 . . . . . 148 THR CA . 52470 1 495 . 1 . 1 106 106 THR CB C 13 72.425 0.000 . 1 . . . . . 148 THR CB . 52470 1 496 . 1 . 1 106 106 THR N N 15 111.420 0.148 . 1 . . . . . 148 THR N . 52470 1 497 . 1 . 1 107 107 ARG H H 1 7.691 0.019 . 1 . . . . . 149 ARG H . 52470 1 498 . 1 . 1 107 107 ARG C C 13 177.110 0.000 . 1 . . . . . 149 ARG C . 52470 1 499 . 1 . 1 107 107 ARG CA C 13 57.625 0.000 . 1 . . . . . 149 ARG CA . 52470 1 500 . 1 . 1 107 107 ARG CB C 13 35.303 0.000 . 1 . . . . . 149 ARG CB . 52470 1 501 . 1 . 1 107 107 ARG N N 15 120.494 0.146 . 1 . . . . . 149 ARG N . 52470 1 502 . 1 . 1 108 108 ASN H H 1 8.809 0.018 . 1 . . . . . 150 ASN H . 52470 1 503 . 1 . 1 108 108 ASN C C 13 178.018 0.000 . 1 . . . . . 150 ASN C . 52470 1 504 . 1 . 1 108 108 ASN CA C 13 51.761 0.000 . 1 . . . . . 150 ASN CA . 52470 1 505 . 1 . 1 108 108 ASN CB C 13 41.307 0.000 . 1 . . . . . 150 ASN CB . 52470 1 506 . 1 . 1 108 108 ASN N N 15 124.713 0.247 . 1 . . . . . 150 ASN N . 52470 1 507 . 1 . 1 109 109 PRO C C 13 180.458 0.000 . 1 . . . . . 151 PRO C . 52470 1 508 . 1 . 1 109 109 PRO CA C 13 66.426 0.000 . 1 . . . . . 151 PRO CA . 52470 1 509 . 1 . 1 109 109 PRO CB C 13 35.071 0.000 . 1 . . . . . 151 PRO CB . 52470 1 510 . 1 . 1 110 110 ALA H H 1 7.798 0.014 . 1 . . . . . 152 ALA H . 52470 1 511 . 1 . 1 110 110 ALA C C 13 180.694 0.000 . 1 . . . . . 152 ALA C . 52470 1 512 . 1 . 1 110 110 ALA CA C 13 56.247 0.000 . 1 . . . . . 152 ALA CA . 52470 1 513 . 1 . 1 110 110 ALA CB C 13 21.140 0.000 . 1 . . . . . 152 ALA CB . 52470 1 514 . 1 . 1 110 110 ALA N N 15 118.166 0.212 . 1 . . . . . 152 ALA N . 52470 1 515 . 1 . 1 111 111 ASN H H 1 7.685 0.013 . 1 . . . . . 153 ASN H . 52470 1 516 . 1 . 1 111 111 ASN C C 13 177.646 0.000 . 1 . . . . . 153 ASN C . 52470 1 517 . 1 . 1 111 111 ASN CA C 13 55.695 0.000 . 1 . . . . . 153 ASN CA . 52470 1 518 . 1 . 1 111 111 ASN CB C 13 43.646 0.000 . 1 . . . . . 153 ASN CB . 52470 1 519 . 1 . 1 111 111 ASN N N 15 113.041 0.213 . 1 . . . . . 153 ASN N . 52470 1 520 . 1 . 1 112 112 ASN H H 1 7.769 0.009 . 1 . . . . . 154 ASN H . 52470 1 521 . 1 . 1 112 112 ASN C C 13 175.924 0.000 . 1 . . . . . 154 ASN C . 52470 1 522 . 1 . 1 112 112 ASN CA C 13 56.096 0.024 . 1 . . . . . 154 ASN CA . 52470 1 523 . 1 . 1 112 112 ASN CB C 13 46.567 0.027 . 1 . . . . . 154 ASN CB . 52470 1 524 . 1 . 1 112 112 ASN N N 15 116.442 0.226 . 1 . . . . . 154 ASN N . 52470 1 525 . 1 . 1 113 113 ALA H H 1 8.613 0.024 . 1 . . . . . 155 ALA H . 52470 1 526 . 1 . 1 113 113 ALA C C 13 179.738 0.000 . 1 . . . . . 155 ALA C . 52470 1 527 . 1 . 1 113 113 ALA CA C 13 53.964 0.000 . 1 . . . . . 155 ALA CA . 52470 1 528 . 1 . 1 113 113 ALA CB C 13 22.183 0.000 . 1 . . . . . 155 ALA CB . 52470 1 529 . 1 . 1 113 113 ALA N N 15 126.445 0.200 . 1 . . . . . 155 ALA N . 52470 1 530 . 1 . 1 114 114 ALA H H 1 8.384 0.015 . 1 . . . . . 156 ALA H . 52470 1 531 . 1 . 1 114 114 ALA C C 13 180.367 0.000 . 1 . . . . . 156 ALA C . 52470 1 532 . 1 . 1 114 114 ALA CA C 13 55.023 0.000 . 1 . . . . . 156 ALA CA . 52470 1 533 . 1 . 1 114 114 ALA CB C 13 21.425 0.016 . 1 . . . . . 156 ALA CB . 52470 1 534 . 1 . 1 114 114 ALA N N 15 122.389 0.218 . 1 . . . . . 156 ALA N . 52470 1 535 . 1 . 1 115 115 ILE H H 1 9.434 0.018 . 1 . . . . . 157 ILE H . 52470 1 536 . 1 . 1 115 115 ILE C C 13 179.527 0.000 . 1 . . . . . 157 ILE C . 52470 1 537 . 1 . 1 115 115 ILE CA C 13 63.926 0.000 . 1 . . . . . 157 ILE CA . 52470 1 538 . 1 . 1 115 115 ILE CB C 13 41.891 0.000 . 1 . . . . . 157 ILE CB . 52470 1 539 . 1 . 1 115 115 ILE N N 15 126.296 0.144 . 1 . . . . . 157 ILE N . 52470 1 540 . 1 . 1 116 116 VAL H H 1 8.659 0.013 . 1 . . . . . 158 VAL H . 52470 1 541 . 1 . 1 116 116 VAL C C 13 180.251 0.000 . 1 . . . . . 158 VAL C . 52470 1 542 . 1 . 1 116 116 VAL CA C 13 66.888 0.000 . 1 . . . . . 158 VAL CA . 52470 1 543 . 1 . 1 116 116 VAL CB C 13 34.032 0.000 . 1 . . . . . 158 VAL CB . 52470 1 544 . 1 . 1 116 116 VAL N N 15 128.763 0.247 . 1 . . . . . 158 VAL N . 52470 1 545 . 1 . 1 117 117 LEU H H 1 8.245 0.024 . 1 . . . . . 159 LEU H . 52470 1 546 . 1 . 1 117 117 LEU C C 13 178.021 0.000 . 1 . . . . . 159 LEU C . 52470 1 547 . 1 . 1 117 117 LEU CA C 13 61.573 0.000 . 1 . . . . . 159 LEU CA . 52470 1 548 . 1 . 1 117 117 LEU CB C 13 43.828 0.000 . 1 . . . . . 159 LEU CB . 52470 1 549 . 1 . 1 117 117 LEU N N 15 133.340 0.114 . 1 . . . . . 159 LEU N . 52470 1 550 . 1 . 1 118 118 GLN H H 1 9.264 0.004 . 1 . . . . . 160 GLN H . 52470 1 551 . 1 . 1 118 118 GLN C C 13 176.029 0.000 . 1 . . . . . 160 GLN C . 52470 1 552 . 1 . 1 118 118 GLN CA C 13 57.282 0.000 . 1 . . . . . 160 GLN CA . 52470 1 553 . 1 . 1 118 118 GLN CB C 13 35.144 0.000 . 1 . . . . . 160 GLN CB . 52470 1 554 . 1 . 1 118 118 GLN N N 15 129.517 0.111 . 1 . . . . . 160 GLN N . 52470 1 555 . 1 . 1 119 119 LEU H H 1 8.535 0.017 . 1 . . . . . 161 LEU H . 52470 1 556 . 1 . 1 119 119 LEU C C 13 177.369 0.000 . 1 . . . . . 161 LEU C . 52470 1 557 . 1 . 1 119 119 LEU CA C 13 53.897 0.000 . 1 . . . . . 161 LEU CA . 52470 1 558 . 1 . 1 119 119 LEU CB C 13 43.839 0.000 . 1 . . . . . 161 LEU CB . 52470 1 559 . 1 . 1 119 119 LEU N N 15 123.314 0.249 . 1 . . . . . 161 LEU N . 52470 1 560 . 1 . 1 120 120 PRO C C 13 178.923 0.000 . 1 . . . . . 162 PRO C . 52470 1 561 . 1 . 1 120 120 PRO CA C 13 65.555 0.000 . 1 . . . . . 162 PRO CA . 52470 1 562 . 1 . 1 120 120 PRO CB C 13 34.962 0.000 . 1 . . . . . 162 PRO CB . 52470 1 563 . 1 . 1 121 121 GLN H H 1 8.661 0.022 . 1 . . . . . 163 GLN H . 52470 1 564 . 1 . 1 121 121 GLN C C 13 179.555 0.000 . 1 . . . . . 163 GLN C . 52470 1 565 . 1 . 1 121 121 GLN CA C 13 60.548 0.000 . 1 . . . . . 163 GLN CA . 52470 1 566 . 1 . 1 121 121 GLN CB C 13 31.010 0.000 . 1 . . . . . 163 GLN CB . 52470 1 567 . 1 . 1 121 121 GLN N N 15 122.462 0.231 . 1 . . . . . 163 GLN N . 52470 1 568 . 1 . 1 122 122 GLY H H 1 8.891 0.027 . 1 . . . . . 164 GLY H . 52470 1 569 . 1 . 1 122 122 GLY C C 13 177.163 0.000 . 1 . . . . . 164 GLY C . 52470 1 570 . 1 . 1 122 122 GLY CA C 13 47.609 0.000 . 1 . . . . . 164 GLY CA . 52470 1 571 . 1 . 1 122 122 GLY N N 15 113.586 0.212 . 1 . . . . . 164 GLY N . 52470 1 572 . 1 . 1 123 123 THR H H 1 7.907 0.016 . 1 . . . . . 165 THR H . 52470 1 573 . 1 . 1 123 123 THR C C 13 176.375 0.000 . 1 . . . . . 165 THR C . 52470 1 574 . 1 . 1 123 123 THR CA C 13 65.195 0.000 . 1 . . . . . 165 THR CA . 52470 1 575 . 1 . 1 123 123 THR CB C 13 72.282 0.000 . 1 . . . . . 165 THR CB . 52470 1 576 . 1 . 1 123 123 THR N N 15 117.339 0.230 . 1 . . . . . 165 THR N . 52470 1 577 . 1 . 1 124 124 THR H H 1 8.734 0.015 . 1 . . . . . 166 THR H . 52470 1 578 . 1 . 1 124 124 THR C C 13 176.188 0.000 . 1 . . . . . 166 THR C . 52470 1 579 . 1 . 1 124 124 THR CA C 13 63.664 0.003 . 1 . . . . . 166 THR CA . 52470 1 580 . 1 . 1 124 124 THR CB C 13 73.145 0.000 . 1 . . . . . 166 THR CB . 52470 1 581 . 1 . 1 124 124 THR N N 15 121.741 0.143 . 1 . . . . . 166 THR N . 52470 1 582 . 1 . 1 125 125 LEU H H 1 8.451 0.015 . 1 . . . . . 167 LEU H . 52470 1 583 . 1 . 1 125 125 LEU C C 13 177.428 0.000 . 1 . . . . . 167 LEU C . 52470 1 584 . 1 . 1 125 125 LEU CA C 13 55.299 0.000 . 1 . . . . . 167 LEU CA . 52470 1 585 . 1 . 1 125 125 LEU CB C 13 44.863 0.000 . 1 . . . . . 167 LEU CB . 52470 1 586 . 1 . 1 125 125 LEU N N 15 126.504 0.139 . 1 . . . . . 167 LEU N . 52470 1 587 . 1 . 1 126 126 PRO C C 13 178.182 0.000 . 1 . . . . . 168 PRO C . 52470 1 588 . 1 . 1 126 126 PRO CA C 13 64.858 0.000 . 1 . . . . . 168 PRO CA . 52470 1 589 . 1 . 1 126 126 PRO CB C 13 34.327 0.000 . 1 . . . . . 168 PRO CB . 52470 1 590 . 1 . 1 127 127 LYS H H 1 8.272 0.005 . 1 . . . . . 169 LYS H . 52470 1 591 . 1 . 1 127 127 LYS C C 13 180.438 0.000 . 1 . . . . . 169 LYS C . 52470 1 592 . 1 . 1 127 127 LYS CA C 13 60.626 0.009 . 1 . . . . . 169 LYS CA . 52470 1 593 . 1 . 1 127 127 LYS CB C 13 35.063 0.034 . 1 . . . . . 169 LYS CB . 52470 1 594 . 1 . 1 127 127 LYS N N 15 121.559 0.197 . 1 . . . . . 169 LYS N . 52470 1 595 . 1 . 1 128 128 GLY H H 1 8.742 0.026 . 1 . . . . . 170 GLY H . 52470 1 596 . 1 . 1 128 128 GLY C C 13 175.657 0.000 . 1 . . . . . 170 GLY C . 52470 1 597 . 1 . 1 128 128 GLY CA C 13 47.824 0.000 . 1 . . . . . 170 GLY CA . 52470 1 598 . 1 . 1 128 128 GLY N N 15 110.768 0.112 . 1 . . . . . 170 GLY N . 52470 1 599 . 1 . 1 129 129 PHE H H 1 7.505 0.013 . 1 . . . . . 171 PHE H . 52470 1 600 . 1 . 1 129 129 PHE C C 13 177.401 0.000 . 1 . . . . . 171 PHE C . 52470 1 601 . 1 . 1 129 129 PHE CA C 13 59.907 0.000 . 1 . . . . . 171 PHE CA . 52470 1 602 . 1 . 1 129 129 PHE CB C 13 44.703 0.000 . 1 . . . . . 171 PHE CB . 52470 1 603 . 1 . 1 129 129 PHE N N 15 117.404 0.126 . 1 . . . . . 171 PHE N . 52470 1 604 . 1 . 1 130 130 TYR H H 1 8.643 0.013 . 1 . . . . . 172 TYR H . 52470 1 605 . 1 . 1 130 130 TYR C C 13 176.800 0.000 . 1 . . . . . 172 TYR C . 52470 1 606 . 1 . 1 130 130 TYR CA C 13 59.119 0.023 . 1 . . . . . 172 TYR CA . 52470 1 607 . 1 . 1 130 130 TYR CB C 13 44.388 0.003 . 1 . . . . . 172 TYR CB . 52470 1 608 . 1 . 1 130 130 TYR N N 15 118.364 0.116 . 1 . . . . . 172 TYR N . 52470 1 609 . 1 . 1 131 131 ALA H H 1 8.836 0.004 . 1 . . . . . 173 ALA H . 52470 1 610 . 1 . 1 131 131 ALA C C 13 180.285 0.000 . 1 . . . . . 173 ALA C . 52470 1 611 . 1 . 1 131 131 ALA CA C 13 54.687 0.000 . 1 . . . . . 173 ALA CA . 52470 1 612 . 1 . 1 131 131 ALA CB C 13 21.935 0.000 . 1 . . . . . 173 ALA CB . 52470 1 613 . 1 . 1 131 131 ALA N N 15 126.068 0.212 . 1 . . . . . 173 ALA N . 52470 1 614 . 1 . 1 132 132 GLU H H 1 8.667 0.026 . 1 . . . . . 174 GLU H . 52470 1 615 . 1 . 1 132 132 GLU C C 13 179.939 0.000 . 1 . . . . . 174 GLU C . 52470 1 616 . 1 . 1 132 132 GLU CA C 13 60.289 0.000 . 1 . . . . . 174 GLU CA . 52470 1 617 . 1 . 1 132 132 GLU CB C 13 32.951 0.000 . 1 . . . . . 174 GLU CB . 52470 1 618 . 1 . 1 132 132 GLU N N 15 124.463 0.181 . 1 . . . . . 174 GLU N . 52470 1 619 . 1 . 1 133 133 GLY H H 1 8.822 0.011 . 1 . . . . . 175 GLY H . 52470 1 620 . 1 . 1 133 133 GLY C C 13 177.153 0.000 . 1 . . . . . 175 GLY C . 52470 1 621 . 1 . 1 133 133 GLY CA C 13 47.945 0.000 . 1 . . . . . 175 GLY CA . 52470 1 622 . 1 . 1 133 133 GLY N N 15 111.324 0.159 . 1 . . . . . 175 GLY N . 52470 1 623 . 1 . 1 134 134 SER H H 1 8.192 0.009 . 1 . . . . . 176 SER H . 52470 1 624 . 1 . 1 134 134 SER C C 13 177.485 0.000 . 1 . . . . . 176 SER C . 52470 1 625 . 1 . 1 134 134 SER CA C 13 61.421 0.000 . 1 . . . . . 176 SER CA . 52470 1 626 . 1 . 1 134 134 SER CB C 13 66.846 0.002 . 1 . . . . . 176 SER CB . 52470 1 627 . 1 . 1 134 134 SER N N 15 115.256 0.140 . 1 . . . . . 176 SER N . 52470 1 628 . 1 . 1 135 135 ARG H H 1 8.522 0.023 . 1 . . . . . 177 ARG H . 52470 1 629 . 1 . 1 135 135 ARG C C 13 179.511 0.000 . 1 . . . . . 177 ARG C . 52470 1 630 . 1 . 1 135 135 ARG CA C 13 58.934 0.007 . 1 . . . . . 177 ARG CA . 52470 1 631 . 1 . 1 135 135 ARG CB C 13 33.302 0.001 . 1 . . . . . 177 ARG CB . 52470 1 632 . 1 . 1 135 135 ARG N N 15 122.804 0.121 . 1 . . . . . 177 ARG N . 52470 1 633 . 1 . 1 136 136 GLY H H 1 8.398 0.013 . 1 . . . . . 178 GLY H . 52470 1 634 . 1 . 1 136 136 GLY C C 13 177.240 0.000 . 1 . . . . . 178 GLY C . 52470 1 635 . 1 . 1 136 136 GLY CA C 13 48.103 0.000 . 1 . . . . . 178 GLY CA . 52470 1 636 . 1 . 1 136 136 GLY N N 15 110.208 0.148 . 1 . . . . . 178 GLY N . 52470 1 637 . 1 . 1 137 137 GLY H H 1 8.279 0.015 . 1 . . . . . 179 GLY H . 52470 1 638 . 1 . 1 137 137 GLY C C 13 176.177 0.000 . 1 . . . . . 179 GLY C . 52470 1 639 . 1 . 1 137 137 GLY CA C 13 47.994 0.017 . 1 . . . . . 179 GLY CA . 52470 1 640 . 1 . 1 137 137 GLY N N 15 109.599 0.226 . 1 . . . . . 179 GLY N . 52470 1 641 . 1 . 1 138 138 SER H H 1 7.900 0.013 . 1 . . . . . 180 SER H . 52470 1 642 . 1 . 1 138 138 SER C C 13 181.427 0.000 . 1 . . . . . 180 SER C . 52470 1 643 . 1 . 1 138 138 SER CA C 13 62.708 0.000 . 1 . . . . . 180 SER CA . 52470 1 644 . 1 . 1 138 138 SER CB C 13 67.649 0.000 . 1 . . . . . 180 SER CB . 52470 1 645 . 1 . 1 138 138 SER N N 15 121.325 0.196 . 1 . . . . . 180 SER N . 52470 1 stop_ save_