################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26954 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26954 1 2 '3D HNCO' . . . 26954 1 3 '3D HNCACB' . . . 26954 1 4 '3D CBCA(CO)NH' . . . 26954 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 169.83 0.1 . 1 . . . . -5 G C . 26954 1 2 . 1 1 1 1 GLY CA C 13 43.214 0.1 . 1 . . . . -5 G CA . 26954 1 3 . 1 1 2 2 ALA H H 1 8.604 0.01 . 1 . . . . -4 A H . 26954 1 4 . 1 1 2 2 ALA C C 13 172.865 0.1 . 1 . . . . -4 A C . 26954 1 5 . 1 1 2 2 ALA CA C 13 52.374 0.1 . 1 . . . . -4 A CA . 26954 1 6 . 1 1 2 2 ALA CB C 13 19.469 0.1 . 1 . . . . -4 A CB . 26954 1 7 . 1 1 2 2 ALA N N 15 123.414 0.1 . 1 . . . . -4 A N . 26954 1 8 . 1 1 3 3 MET H H 1 8.525 0.01 . 1 . . . . -3 M H . 26954 1 9 . 1 1 3 3 MET C C 13 174.415 0.1 . 1 . . . . -3 M C . 26954 1 10 . 1 1 3 3 MET CA C 13 55.377 0.1 . 1 . . . . -3 M CA . 26954 1 11 . 1 1 3 3 MET CB C 13 33.099 0.1 . 1 . . . . -3 M CB . 26954 1 12 . 1 1 3 3 MET N N 15 120.473 0.1 . 1 . . . . -3 M N . 26954 1 13 . 1 1 4 4 VAL H H 1 8.294 0.01 . 1 . . . . -2 V H . 26954 1 14 . 1 1 4 4 VAL C C 13 174.863 0.1 . 1 . . . . -2 V C . 26954 1 15 . 1 1 4 4 VAL CA C 13 62.008 0.1 . 1 . . . . -2 V CA . 26954 1 16 . 1 1 4 4 VAL CB C 13 32.952 0.1 . 1 . . . . -2 V CB . 26954 1 17 . 1 1 4 4 VAL N N 15 122.745 0.1 . 1 . . . . -2 V N . 26954 1 18 . 1 1 5 5 GLN H H 1 8.584 0.01 . 1 . . . . -1 Q H . 26954 1 19 . 1 1 5 5 GLN C C 13 174.693 0.1 . 1 . . . . -1 Q C . 26954 1 20 . 1 1 5 5 GLN CA C 13 55.454 0.1 . 1 . . . . -1 Q CA . 26954 1 21 . 1 1 5 5 GLN CB C 13 29.469 0.1 . 1 . . . . -1 Q CB . 26954 1 22 . 1 1 5 5 GLN N N 15 125.381 0.1 . 1 . . . . -1 Q N . 26954 1 23 . 1 1 6 6 ILE H H 1 8.438 0.01 . 1 . . . . 0 I H . 26954 1 24 . 1 1 6 6 ILE C C 13 176.218 0.1 . 1 . . . . 0 I C . 26954 1 25 . 1 1 6 6 ILE CA C 13 61.333 0.1 . 1 . . . . 0 I CA . 26954 1 26 . 1 1 6 6 ILE CB C 13 38.730 0.1 . 1 . . . . 0 I CB . 26954 1 27 . 1 1 6 6 ILE N N 15 124.068 0.1 . 1 . . . . 0 I N . 26954 1 28 . 1 1 7 7 SER H H 1 8.533 0.01 . 1 . . . . 1 S H . 26954 1 29 . 1 1 7 7 SER C C 13 175.731 0.1 . 1 . . . . 1 S C . 26954 1 30 . 1 1 7 7 SER CA C 13 58.343 0.1 . 1 . . . . 1 S CA . 26954 1 31 . 1 1 7 7 SER CB C 13 63.669 0.1 . 1 . . . . 1 S CB . 26954 1 32 . 1 1 7 7 SER N N 15 119.807 0.1 . 1 . . . . 1 S N . 26954 1 33 . 1 1 8 8 THR H H 1 8.290 0.01 . 1 . . . . 2 T H . 26954 1 34 . 1 1 8 8 THR C C 13 177.091 0.1 . 1 . . . . 2 T C . 26954 1 35 . 1 1 8 8 THR CA C 13 62.132 0.1 . 1 . . . . 2 T CA . 26954 1 36 . 1 1 8 8 THR CB C 13 69.509 0.1 . 1 . . . . 2 T CB . 26954 1 37 . 1 1 8 8 THR N N 15 115.727 0.1 . 1 . . . . 2 T N . 26954 1 38 . 1 1 9 9 LEU H H 1 8.147 0.01 . 1 . . . . 3 L H . 26954 1 39 . 1 1 9 9 LEU CA C 13 54.059 0.1 . 1 . . . . 3 L CA . 26954 1 40 . 1 1 9 9 LEU CB C 13 44.189 0.1 . 1 . . . . 3 L CB . 26954 1 41 . 1 1 9 9 LEU N N 15 123.789 0.1 . 1 . . . . 3 L N . 26954 1 42 . 1 1 10 10 PHE H H 1 9.123 0.01 . 1 . . . . 4 F H . 26954 1 43 . 1 1 10 10 PHE N N 15 123.431 0.1 . 1 . . . . 4 F N . 26954 1 44 . 1 1 11 11 GLU C C 13 176.460 0.1 . 1 . . . . 5 E C . 26954 1 45 . 1 1 11 11 GLU CA C 13 53.645 0.1 . 1 . . . . 5 E CA . 26954 1 46 . 1 1 11 11 GLU CB C 13 32.152 0.1 . 1 . . . . 5 E CB . 26954 1 47 . 1 1 12 12 ALA H H 1 8.704 0.01 . 1 . . . . 6 A H . 26954 1 48 . 1 1 12 12 ALA C C 13 179.93 0.1 . 1 . . . . 6 A C . 26954 1 49 . 1 1 12 12 ALA CA C 13 52.567 0.1 . 1 . . . . 6 A CA . 26954 1 50 . 1 1 12 12 ALA CB C 13 20.473 0.1 . 1 . . . . 6 A CB . 26954 1 51 . 1 1 12 12 ALA N N 15 126.081 0.1 . 1 . . . . 6 A N . 26954 1 52 . 1 1 13 13 LEU H H 1 8.888 0.01 . 1 . . . . 7 L H . 26954 1 53 . 1 1 13 13 LEU C C 13 174.877 0.1 . 1 . . . . 7 L C . 26954 1 54 . 1 1 13 13 LEU CA C 13 55.036 0.1 . 1 . . . . 7 L CA . 26954 1 55 . 1 1 13 13 LEU CB C 13 43.317 0.1 . 1 . . . . 7 L CB . 26954 1 56 . 1 1 13 13 LEU N N 15 123.284 0.1 . 1 . . . . 7 L N . 26954 1 57 . 1 1 14 14 TYR H H 1 7.351 0.01 . 1 . . . . 8 Y H . 26954 1 58 . 1 1 14 14 TYR C C 13 178.701 0.1 . 1 . . . . 8 Y C . 26954 1 59 . 1 1 14 14 TYR CA C 13 54.960 0.1 . 1 . . . . 8 Y CA . 26954 1 60 . 1 1 14 14 TYR CB C 13 39.268 0.1 . 1 . . . . 8 Y CB . 26954 1 61 . 1 1 14 14 TYR N N 15 114.497 0.1 . 1 . . . . 8 Y N . 26954 1 62 . 1 1 15 15 ASP H H 1 8.392 0.01 . 1 . . . . 9 D H . 26954 1 63 . 1 1 15 15 ASP C C 13 175.028 0.1 . 1 . . . . 9 D C . 26954 1 64 . 1 1 15 15 ASP CA C 13 53.763 0.1 . 1 . . . . 9 D CA . 26954 1 65 . 1 1 15 15 ASP CB C 13 42.331 0.1 . 1 . . . . 9 D CB . 26954 1 66 . 1 1 15 15 ASP N N 15 116.341 0.1 . 1 . . . . 9 D N . 26954 1 67 . 1 1 16 16 TYR H H 1 8.518 0.01 . 1 . . . . 10 Y H . 26954 1 68 . 1 1 16 16 TYR C C 13 177.312 0.1 . 1 . . . . 10 Y C . 26954 1 69 . 1 1 16 16 TYR CA C 13 57.689 0.1 . 1 . . . . 10 Y CA . 26954 1 70 . 1 1 16 16 TYR CB C 13 42.312 0.1 . 1 . . . . 10 Y CB . 26954 1 71 . 1 1 16 16 TYR N N 15 124.042 0.1 . 1 . . . . 10 Y N . 26954 1 72 . 1 1 17 17 GLU H H 1 7.541 0.01 . 1 . . . . 11 E H . 26954 1 73 . 1 1 17 17 GLU C C 13 176.889 0.1 . 1 . . . . 11 E C . 26954 1 74 . 1 1 17 17 GLU CA C 13 53.754 0.1 . 1 . . . . 11 E CA . 26954 1 75 . 1 1 17 17 GLU CB C 13 30.788 0.1 . 1 . . . . 11 E CB . 26954 1 76 . 1 1 17 17 GLU N N 15 128.310 0.1 . 1 . . . . 11 E N . 26954 1 77 . 1 1 18 18 ALA H H 1 8.277 0.01 . 1 . . . . 12 A H . 26954 1 78 . 1 1 18 18 ALA C C 13 171.811 0.1 . 1 . . . . 12 A C . 26954 1 79 . 1 1 18 18 ALA CA C 13 52.823 0.1 . 1 . . . . 12 A CA . 26954 1 80 . 1 1 18 18 ALA CB C 13 19.449 0.1 . 1 . . . . 12 A CB . 26954 1 81 . 1 1 18 18 ALA N N 15 126.833 0.1 . 1 . . . . 12 A N . 26954 1 82 . 1 1 19 19 ARG H H 1 10.408 0.01 . 1 . . . . 13 R H . 26954 1 83 . 1 1 19 19 ARG C C 13 173.646 0.1 . 1 . . . . 13 R C . 26954 1 84 . 1 1 19 19 ARG CA C 13 56.248 0.1 . 1 . . . . 13 R CA . 26954 1 85 . 1 1 19 19 ARG CB C 13 32.667 0.1 . 1 . . . . 13 R CB . 26954 1 86 . 1 1 19 19 ARG N N 15 122.677 0.1 . 1 . . . . 13 R N . 26954 1 87 . 1 1 20 20 THR H H 1 9.491 0.01 . 1 . . . . 14 T H . 26954 1 88 . 1 1 20 20 THR C C 13 175.529 0.1 . 1 . . . . 14 T C . 26954 1 89 . 1 1 20 20 THR CA C 13 59.633 0.1 . 1 . . . . 14 T CA . 26954 1 90 . 1 1 20 20 THR CB C 13 70.984 0.1 . 1 . . . . 14 T CB . 26954 1 91 . 1 1 20 20 THR N N 15 116.311 0.1 . 1 . . . . 14 T N . 26954 1 92 . 1 1 21 21 GLU H H 1 8.681 0.01 . 1 . . . . 15 E H . 26954 1 93 . 1 1 21 21 GLU C C 13 173.472 0.1 . 1 . . . . 15 E C . 26954 1 94 . 1 1 21 21 GLU CA C 13 57.835 0.1 . 1 . . . . 15 E CA . 26954 1 95 . 1 1 21 21 GLU CB C 13 29.720 0.1 . 1 . . . . 15 E CB . 26954 1 96 . 1 1 21 21 GLU N N 15 118.279 0.1 . 1 . . . . 15 E N . 26954 1 97 . 1 1 22 22 ASP H H 1 8.125 0.01 . 1 . . . . 16 D H . 26954 1 98 . 1 1 22 22 ASP C C 13 174.899 0.1 . 1 . . . . 16 D C . 26954 1 99 . 1 1 22 22 ASP CA C 13 54.262 0.1 . 1 . . . . 16 D CA . 26954 1 100 . 1 1 22 22 ASP CB C 13 42.568 0.1 . 1 . . . . 16 D CB . 26954 1 101 . 1 1 22 22 ASP N N 15 116.338 0.1 . 1 . . . . 16 D N . 26954 1 102 . 1 1 23 23 ASP H H 1 8.263 0.01 . 1 . . . . 17 D H . 26954 1 103 . 1 1 23 23 ASP C C 13 175.169 0.1 . 1 . . . . 17 D C . 26954 1 104 . 1 1 23 23 ASP CA C 13 52.468 0.1 . 1 . . . . 17 D CA . 26954 1 105 . 1 1 23 23 ASP CB C 13 42.436 0.1 . 1 . . . . 17 D CB . 26954 1 106 . 1 1 23 23 ASP N N 15 119.496 0.1 . 1 . . . . 17 D N . 26954 1 107 . 1 1 24 24 LEU H H 1 8.157 0.01 . 1 . . . . 18 L H . 26954 1 108 . 1 1 24 24 LEU C C 13 173.860 0.1 . 1 . . . . 18 L C . 26954 1 109 . 1 1 24 24 LEU CA C 13 54.145 0.1 . 1 . . . . 18 L CA . 26954 1 110 . 1 1 24 24 LEU CB C 13 44.194 0.1 . 1 . . . . 18 L CB . 26954 1 111 . 1 1 24 24 LEU N N 15 120.375 0.1 . 1 . . . . 18 L N . 26954 1 112 . 1 1 25 25 SER H H 1 8.181 0.01 . 1 . . . . 19 S H . 26954 1 113 . 1 1 25 25 SER C C 13 176.541 0.1 . 1 . . . . 19 S C . 26954 1 114 . 1 1 25 25 SER CA C 13 58.349 0.1 . 1 . . . . 19 S CA . 26954 1 115 . 1 1 25 25 SER CB C 13 64.659 0.1 . 1 . . . . 19 S CB . 26954 1 116 . 1 1 25 25 SER N N 15 115.308 0.1 . 1 . . . . 19 S N . 26954 1 117 . 1 1 26 26 PHE H H 1 8.844 0.01 . 1 . . . . 20 F H . 26954 1 118 . 1 1 26 26 PHE C C 13 176.359 0.1 . 1 . . . . 20 F C . 26954 1 119 . 1 1 26 26 PHE CA C 13 56.265 0.1 . 1 . . . . 20 F CA . 26954 1 120 . 1 1 26 26 PHE CB C 13 41.801 0.1 . 1 . . . . 20 F CB . 26954 1 121 . 1 1 26 26 PHE N N 15 115.822 0.1 . 1 . . . . 20 F N . 26954 1 122 . 1 1 27 27 HIS H H 1 8.667 0.01 . 1 . . . . 21 H H . 26954 1 123 . 1 1 27 27 HIS C C 13 176.558 0.1 . 1 . . . . 21 H C . 26954 1 124 . 1 1 27 27 HIS CA C 13 53.514 0.1 . 1 . . . . 21 H CA . 26954 1 125 . 1 1 27 27 HIS CB C 13 31.933 0.1 . 1 . . . . 21 H CB . 26954 1 126 . 1 1 27 27 HIS N N 15 116.863 0.1 . 1 . . . . 21 H N . 26954 1 127 . 1 1 28 28 LYS H H 1 8.933 0.01 . 1 . . . . 22 K H . 26954 1 128 . 1 1 28 28 LYS C C 13 173.077 0.1 . 1 . . . . 22 K C . 26954 1 129 . 1 1 28 28 LYS CA C 13 58.658 0.1 . 1 . . . . 22 K CA . 26954 1 130 . 1 1 28 28 LYS CB C 13 32.749 0.1 . 1 . . . . 22 K CB . 26954 1 131 . 1 1 28 28 LYS N N 15 121.925 0.1 . 1 . . . . 22 K N . 26954 1 132 . 1 1 29 29 GLY H H 1 8.829 0.01 . 1 . . . . 23 G H . 26954 1 133 . 1 1 29 29 GLY C C 13 176.369 0.1 . 1 . . . . 23 G C . 26954 1 134 . 1 1 29 29 GLY CA C 13 44.875 0.1 . 1 . . . . 23 G CA . 26954 1 135 . 1 1 29 29 GLY N N 15 115.580 0.1 . 1 . . . . 23 G N . 26954 1 136 . 1 1 30 30 GLU H H 1 8.176 0.01 . 1 . . . . 24 E H . 26954 1 137 . 1 1 30 30 GLU C C 13 175.974 0.1 . 1 . . . . 24 E C . 26954 1 138 . 1 1 30 30 GLU CA C 13 57.940 0.1 . 1 . . . . 24 E CA . 26954 1 139 . 1 1 30 30 GLU CB C 13 30.840 0.1 . 1 . . . . 24 E CB . 26954 1 140 . 1 1 30 30 GLU N N 15 123.819 0.1 . 1 . . . . 24 E N . 26954 1 141 . 1 1 31 31 LYS H H 1 8.135 0.01 . 1 . . . . 25 K H . 26954 1 142 . 1 1 31 31 LYS C C 13 174.756 0.1 . 1 . . . . 25 K C . 26954 1 143 . 1 1 31 31 LYS CA C 13 54.954 0.1 . 1 . . . . 25 K CA . 26954 1 144 . 1 1 31 31 LYS CB C 13 35.556 0.1 . 1 . . . . 25 K CB . 26954 1 145 . 1 1 31 31 LYS N N 15 121.432 0.1 . 1 . . . . 25 K N . 26954 1 146 . 1 1 32 32 PHE H H 1 9.193 0.01 . 1 . . . . 26 F H . 26954 1 147 . 1 1 32 32 PHE C C 13 175.341 0.1 . 1 . . . . 26 F C . 26954 1 148 . 1 1 32 32 PHE CA C 13 56.655 0.1 . 1 . . . . 26 F CA . 26954 1 149 . 1 1 32 32 PHE CB C 13 43.424 0.1 . 1 . . . . 26 F CB . 26954 1 150 . 1 1 32 32 PHE N N 15 118.076 0.1 . 1 . . . . 26 F N . 26954 1 151 . 1 1 33 33 GLN H H 1 9.099 0.01 . 1 . . . . 27 Q H . 26954 1 152 . 1 1 33 33 GLN C C 13 174.396 0.1 . 1 . . . . 27 Q C . 26954 1 153 . 1 1 33 33 GLN CA C 13 54.338 0.1 . 1 . . . . 27 Q CA . 26954 1 154 . 1 1 33 33 GLN CB C 13 30.478 0.1 . 1 . . . . 27 Q CB . 26954 1 155 . 1 1 33 33 GLN N N 15 121.007 0.1 . 1 . . . . 27 Q N . 26954 1 156 . 1 1 34 34 ILE H H 1 9.117 0.01 . 1 . . . . 28 I H . 26954 1 157 . 1 1 34 34 ILE C C 13 174.595 0.1 . 1 . . . . 28 I C . 26954 1 158 . 1 1 34 34 ILE CA C 13 62.610 0.1 . 1 . . . . 28 I CA . 26954 1 159 . 1 1 34 34 ILE CB C 13 37.810 0.1 . 1 . . . . 28 I CB . 26954 1 160 . 1 1 34 34 ILE N N 15 126.953 0.1 . 1 . . . . 28 I N . 26954 1 161 . 1 1 35 35 LEU H H 1 9.039 0.01 . 1 . . . . 29 L H . 26954 1 162 . 1 1 35 35 LEU C C 13 172.980 0.1 . 1 . . . . 29 L C . 26954 1 163 . 1 1 35 35 LEU CA C 13 55.705 0.1 . 1 . . . . 29 L CA . 26954 1 164 . 1 1 35 35 LEU CB C 13 41.546 0.1 . 1 . . . . 29 L CB . 26954 1 165 . 1 1 35 35 LEU N N 15 129.586 0.1 . 1 . . . . 29 L N . 26954 1 166 . 1 1 36 36 ASN H H 1 8.018 0.01 . 1 . . . . 30 N H . 26954 1 167 . 1 1 36 36 ASN C C 13 176.186 0.1 . 1 . . . . 30 N C . 26954 1 168 . 1 1 36 36 ASN CA C 13 53.806 0.1 . 1 . . . . 30 N CA . 26954 1 169 . 1 1 36 36 ASN CB C 13 40.466 0.1 . 1 . . . . 30 N CB . 26954 1 170 . 1 1 36 36 ASN N N 15 115.546 0.1 . 1 . . . . 30 N N . 26954 1 171 . 1 1 37 37 SER H H 1 8.848 0.01 . 1 . . . . 31 S H . 26954 1 172 . 1 1 37 37 SER C C 13 176.039 0.1 . 1 . . . . 31 S C . 26954 1 173 . 1 1 37 37 SER CA C 13 56.902 0.1 . 1 . . . . 31 S CA . 26954 1 174 . 1 1 37 37 SER CB C 13 61.994 0.1 . 1 . . . . 31 S CB . 26954 1 175 . 1 1 37 37 SER N N 15 120.787 0.1 . 1 . . . . 31 S N . 26954 1 176 . 1 1 38 38 SER H H 1 8.038 0.01 . 1 . . . . 32 S H . 26954 1 177 . 1 1 38 38 SER C C 13 175.629 0.1 . 1 . . . . 32 S C . 26954 1 178 . 1 1 38 38 SER CA C 13 59.854 0.1 . 1 . . . . 32 S CA . 26954 1 179 . 1 1 38 38 SER CB C 13 64.077 0.1 . 1 . . . . 32 S CB . 26954 1 180 . 1 1 38 38 SER N N 15 117.212 0.1 . 1 . . . . 32 S N . 26954 1 181 . 1 1 39 39 GLU H H 1 8.727 0.01 . 1 . . . . 33 E H . 26954 1 182 . 1 1 39 39 GLU C C 13 173.627 0.1 . 1 . . . . 33 E C . 26954 1 183 . 1 1 39 39 GLU CA C 13 56.323 0.1 . 1 . . . . 33 E CA . 26954 1 184 . 1 1 39 39 GLU CB C 13 29.920 0.1 . 1 . . . . 33 E CB . 26954 1 185 . 1 1 39 39 GLU N N 15 121.766 0.1 . 1 . . . . 33 E N . 26954 1 186 . 1 1 40 40 GLY H H 1 8.399 0.01 . 1 . . . . 34 G H . 26954 1 187 . 1 1 40 40 GLY C C 13 176.243 0.1 . 1 . . . . 34 G C . 26954 1 188 . 1 1 40 40 GLY CA C 13 45.662 0.1 . 1 . . . . 34 G CA . 26954 1 189 . 1 1 40 40 GLY N N 15 108.759 0.1 . 1 . . . . 34 G N . 26954 1 190 . 1 1 41 41 ASP H H 1 8.534 0.01 . 1 . . . . 35 D H . 26954 1 191 . 1 1 41 41 ASP C C 13 174.540 0.1 . 1 . . . . 35 D C . 26954 1 192 . 1 1 41 41 ASP CA C 13 55.628 0.1 . 1 . . . . 35 D CA . 26954 1 193 . 1 1 41 41 ASP CB C 13 40.875 0.1 . 1 . . . . 35 D CB . 26954 1 194 . 1 1 41 41 ASP N N 15 118.712 0.1 . 1 . . . . 35 D N . 26954 1 195 . 1 1 42 42 TRP H H 1 7.925 0.01 . 1 . . . . 36 W H . 26954 1 196 . 1 1 42 42 TRP C C 13 175.278 0.1 . 1 . . . . 36 W C . 26954 1 197 . 1 1 42 42 TRP CA C 13 55.648 0.1 . 1 . . . . 36 W CA . 26954 1 198 . 1 1 42 42 TRP CB C 13 32.460 0.1 . 1 . . . . 36 W CB . 26954 1 199 . 1 1 42 42 TRP N N 15 120.010 0.1 . 1 . . . . 36 W N . 26954 1 200 . 1 1 43 43 TRP H H 1 9.673 0.01 . 1 . . . . 37 W H . 26954 1 201 . 1 1 43 43 TRP C C 13 175.750 0.1 . 1 . . . . 37 W C . 26954 1 202 . 1 1 43 43 TRP CA C 13 54.069 0.1 . 1 . . . . 37 W CA . 26954 1 203 . 1 1 43 43 TRP CB C 13 31.668 0.1 . 1 . . . . 37 W CB . 26954 1 204 . 1 1 43 43 TRP N N 15 123.690 0.1 . 1 . . . . 37 W N . 26954 1 205 . 1 1 44 44 GLU H H 1 8.828 0.01 . 1 . . . . 38 E H . 26954 1 206 . 1 1 44 44 GLU C C 13 174.188 0.1 . 1 . . . . 38 E C . 26954 1 207 . 1 1 44 44 GLU CA C 13 55.295 0.1 . 1 . . . . 38 E CA . 26954 1 208 . 1 1 44 44 GLU CB C 13 31.227 0.1 . 1 . . . . 38 E CB . 26954 1 209 . 1 1 44 44 GLU N N 15 124.624 0.1 . 1 . . . . 38 E N . 26954 1 210 . 1 1 45 45 VAL H H 1 9.276 0.01 . 1 . . . . 39 V H . 26954 1 211 . 1 1 45 45 VAL C C 13 177.529 0.1 . 1 . . . . 39 V C . 26954 1 212 . 1 1 45 45 VAL CA C 13 59.351 0.1 . 1 . . . . 39 V CA . 26954 1 213 . 1 1 45 45 VAL CB C 13 37.847 0.1 . 1 . . . . 39 V CB . 26954 1 214 . 1 1 45 45 VAL N N 15 120.823 0.1 . 1 . . . . 39 V N . 26954 1 215 . 1 1 46 46 ARG H H 1 8.889 0.01 . 1 . . . . 40 R H . 26954 1 216 . 1 1 46 46 ARG C C 13 173.609 0.1 . 1 . . . . 40 R C . 26954 1 217 . 1 1 46 46 ARG CA C 13 53.929 0.1 . 1 . . . . 40 R CA . 26954 1 218 . 1 1 46 46 ARG CB C 13 34.480 0.1 . 1 . . . . 40 R CB . 26954 1 219 . 1 1 46 46 ARG N N 15 118.754 0.1 . 1 . . . . 40 R N . 26954 1 220 . 1 1 47 47 SER H H 1 9.017 0.01 . 1 . . . . 41 S H . 26954 1 221 . 1 1 47 47 SER C C 13 172.774 0.1 . 1 . . . . 41 S C . 26954 1 222 . 1 1 47 47 SER CA C 13 58.061 0.1 . 1 . . . . 41 S CA . 26954 1 223 . 1 1 47 47 SER CB C 13 63.158 0.1 . 1 . . . . 41 S CB . 26954 1 224 . 1 1 47 47 SER N N 15 120.280 0.1 . 1 . . . . 41 S N . 26954 1 225 . 1 1 48 48 LEU H H 1 8.847 0.01 . 1 . . . . 42 L H . 26954 1 226 . 1 1 48 48 LEU C C 13 172.184 0.1 . 1 . . . . 42 L C . 26954 1 227 . 1 1 48 48 LEU CA C 13 56.566 0.1 . 1 . . . . 42 L CA . 26954 1 228 . 1 1 48 48 LEU CB C 13 40.575 0.1 . 1 . . . . 42 L CB . 26954 1 229 . 1 1 48 48 LEU N N 15 130.485 0.1 . 1 . . . . 42 L N . 26954 1 230 . 1 1 49 49 THR H H 1 8.388 0.01 . 1 . . . . 43 T H . 26954 1 231 . 1 1 49 49 THR C C 13 174.313 0.1 . 1 . . . . 43 T C . 26954 1 232 . 1 1 49 49 THR CA C 13 65.392 0.1 . 1 . . . . 43 T CA . 26954 1 233 . 1 1 49 49 THR CB C 13 69.234 0.1 . 1 . . . . 43 T CB . 26954 1 234 . 1 1 49 49 THR N N 15 115.764 0.1 . 1 . . . . 43 T N . 26954 1 235 . 1 1 50 50 THR H H 1 8.154 0.01 . 1 . . . . 44 T H . 26954 1 236 . 1 1 50 50 THR C C 13 173.700 0.1 . 1 . . . . 44 T C . 26954 1 237 . 1 1 50 50 THR CA C 13 61.694 0.1 . 1 . . . . 44 T CA . 26954 1 238 . 1 1 50 50 THR CB C 13 70.892 0.1 . 1 . . . . 44 T CB . 26954 1 239 . 1 1 50 50 THR N N 15 108.686 0.1 . 1 . . . . 44 T N . 26954 1 240 . 1 1 51 51 GLY H H 1 7.846 0.01 . 1 . . . . 45 G H . 26954 1 241 . 1 1 51 51 GLY C C 13 176.618 0.1 . 1 . . . . 45 G C . 26954 1 242 . 1 1 51 51 GLY CA C 13 45.604 0.1 . 1 . . . . 45 G CA . 26954 1 243 . 1 1 51 51 GLY N N 15 110.974 0.1 . 1 . . . . 45 G N . 26954 1 244 . 1 1 52 52 GLU H H 1 8.152 0.01 . 1 . . . . 46 E H . 26954 1 245 . 1 1 52 52 GLU C C 13 175.024 0.1 . 1 . . . . 46 E C . 26954 1 246 . 1 1 52 52 GLU CA C 13 56.826 0.1 . 1 . . . . 46 E CA . 26954 1 247 . 1 1 52 52 GLU CB C 13 31.032 0.1 . 1 . . . . 46 E CB . 26954 1 248 . 1 1 52 52 GLU N N 15 121.082 0.1 . 1 . . . . 46 E N . 26954 1 249 . 1 1 53 53 THR H H 1 8.527 0.01 . 1 . . . . 47 T H . 26954 1 250 . 1 1 53 53 THR C C 13 176.048 0.1 . 1 . . . . 47 T C . 26954 1 251 . 1 1 53 53 THR CA C 13 60.075 0.1 . 1 . . . . 47 T CA . 26954 1 252 . 1 1 53 53 THR CB C 13 71.067 0.1 . 1 . . . . 47 T CB . 26954 1 253 . 1 1 53 53 THR N N 15 114.367 0.1 . 1 . . . . 47 T N . 26954 1 254 . 1 1 54 54 GLY H H 1 8.662 0.01 . 1 . . . . 48 G H . 26954 1 255 . 1 1 54 54 GLY C C 13 170.26 0.1 . 1 . . . . 48 G C . 26954 1 256 . 1 1 54 54 GLY CA C 13 45.572 0.1 . 1 . . . . 48 G CA . 26954 1 257 . 1 1 54 54 GLY N N 15 111.130 0.1 . 1 . . . . 48 G N . 26954 1 258 . 1 1 55 55 TYR H H 1 8.230 0.01 . 1 . . . . 49 Y H . 26954 1 259 . 1 1 55 55 TYR C C 13 174.611 0.1 . 1 . . . . 49 Y C . 26954 1 260 . 1 1 55 55 TYR CA C 13 56.833 0.1 . 1 . . . . 49 Y CA . 26954 1 261 . 1 1 55 55 TYR CB C 13 41.091 0.1 . 1 . . . . 49 Y CB . 26954 1 262 . 1 1 55 55 TYR N N 15 118.510 0.1 . 1 . . . . 49 Y N . 26954 1 263 . 1 1 56 56 ILE H H 1 9.174 0.01 . 1 . . . . 50 I H . 26954 1 264 . 1 1 56 56 ILE CA C 13 58.018 0.1 . 1 . . . . 50 I CA . 26954 1 265 . 1 1 56 56 ILE CB C 13 40.170 0.1 . 1 . . . . 50 I CB . 26954 1 266 . 1 1 56 56 ILE N N 15 112.905 0.1 . 1 . . . . 50 I N . 26954 1 267 . 1 1 57 57 PRO C C 13 174.599 0.1 . 1 . . . . 51 P C . 26954 1 268 . 1 1 57 57 PRO CA C 13 61.922 0.1 . 1 . . . . 51 P CA . 26954 1 269 . 1 1 57 57 PRO CB C 13 31.079 0.1 . 1 . . . . 51 P CB . 26954 1 270 . 1 1 58 58 SER H H 1 7.260 0.01 . 1 . . . . 52 S H . 26954 1 271 . 1 1 58 58 SER CA C 13 54.245 0.1 . 1 . . . . 52 S CA . 26954 1 272 . 1 1 58 58 SER CB C 13 63.336 0.1 . 1 . . . . 52 S CB . 26954 1 273 . 1 1 58 58 SER N N 15 116.057 0.1 . 1 . . . . 52 S N . 26954 1 274 . 1 1 59 59 PRO C C 13 174.089 0.1 . 1 . . . . 53 P C . 26954 1 275 . 1 1 59 59 PRO CA C 13 63.252 0.1 . 1 . . . . 53 P CA . 26954 1 276 . 1 1 59 59 PRO CB C 13 31.677 0.1 . 1 . . . . 53 P CB . 26954 1 277 . 1 1 60 60 TYR H H 1 7.406 0.01 . 1 . . . . 54 Y H . 26954 1 278 . 1 1 60 60 TYR C C 13 175.299 0.1 . 1 . . . . 54 Y C . 26954 1 279 . 1 1 60 60 TYR CA C 13 56.256 0.1 . 1 . . . . 54 Y CA . 26954 1 280 . 1 1 60 60 TYR CB C 13 37.996 0.1 . 1 . . . . 54 Y CB . 26954 1 281 . 1 1 60 60 TYR N N 15 118.599 0.1 . 1 . . . . 54 Y N . 26954 1 282 . 1 1 61 61 LEU H H 1 7.050 0.01 . 1 . . . . 55 L H . 26954 1 283 . 1 1 61 61 LEU CA C 13 57.061 0.1 . 1 . . . . 55 L CA . 26954 1 284 . 1 1 61 61 LEU CB C 13 43.067 0.1 . 1 . . . . 55 L CB . 26954 1 285 . 1 1 61 61 LEU N N 15 126.992 0.1 . 1 . . . . 55 L N . 26954 1 stop_ save_