################################### # 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 51285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shift _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 13C-13C DARR' . . . 51285 1 2 '3D NCACX' . . . 51285 1 3 '3D NCOCX' . . . 51285 1 4 CONCA . . . 51285 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 . . 51285 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PHE CA C 13 54.626 0.000 . 1 . . . . . 3 PHE CA . 51285 1 2 . 1 . 1 3 3 PHE CB C 13 39.240 0.003 . 1 . . . . . 3 PHE CB . 51285 1 3 . 1 . 1 4 4 SER C C 13 169.755 0.078 . 1 . . . . . 4 SER C . 51285 1 4 . 1 . 1 4 4 SER CA C 13 54.751 0.000 . 1 . . . . . 4 SER CA . 51285 1 5 . 1 . 1 4 4 SER CB C 13 65.501 0.000 . 1 . . . . . 4 SER CB . 51285 1 6 . 1 . 1 4 4 SER N N 15 112.097 0.057 . 1 . . . . . 4 SER N . 51285 1 7 . 1 . 1 5 5 PHE C C 13 171.957 0.073 . 1 . . . . . 5 PHE C . 51285 1 8 . 1 . 1 5 5 PHE CA C 13 54.181 0.003 . 1 . . . . . 5 PHE CA . 51285 1 9 . 1 . 1 5 5 PHE CB C 13 38.109 0.000 . 1 . . . . . 5 PHE CB . 51285 1 10 . 1 . 1 5 5 PHE N N 15 125.270 0.000 . 1 . . . . . 5 PHE N . 51285 1 11 . 1 . 1 6 6 ILE C C 13 171.735 0.000 . 1 . . . . . 6 ILE C . 51285 1 12 . 1 . 1 6 6 ILE CA C 13 56.609 0.000 . 1 . . . . . 6 ILE CA . 51285 1 13 . 1 . 1 6 6 ILE CB C 13 38.680 0.015 . 1 . . . . . 6 ILE CB . 51285 1 14 . 1 . 1 6 6 ILE CG1 C 13 29.738 0.000 . 1 . . . . . 6 ILE CG1 . 51285 1 15 . 1 . 1 6 6 ILE CG2 C 13 15.474 0.022 . 1 . . . . . 6 ILE CG2 . 51285 1 16 . 1 . 1 7 7 GLY C C 13 172.507 0.000 . 1 . . . . . 7 GLY C . 51285 1 17 . 1 . 1 7 7 GLY CA C 13 49.626 0.047 . 1 . . . . . 7 GLY CA . 51285 1 18 . 1 . 1 8 8 GLU C C 13 173.488 0.003 . 1 . . . . . 8 GLU C . 51285 1 19 . 1 . 1 8 8 GLU CA C 13 51.509 0.020 . 1 . . . . . 8 GLU CA . 51285 1 20 . 1 . 1 8 8 GLU CB C 13 30.569 0.003 . 1 . . . . . 8 GLU CB . 51285 1 21 . 1 . 1 8 8 GLU CG C 13 33.358 0.061 . 1 . . . . . 8 GLU CG . 51285 1 22 . 1 . 1 9 9 ALA C C 13 173.623 0.000 . 1 . . . . . 9 ALA C . 51285 1 23 . 1 . 1 9 9 ALA CA C 13 47.917 0.074 . 1 . . . . . 9 ALA CA . 51285 1 24 . 1 . 1 9 9 ALA CB C 13 21.723 0.040 . 1 . . . . . 9 ALA CB . 51285 1 25 . 1 . 1 10 10 PHE C C 13 170.139 0.000 . 1 . . . . . 10 PHE C . 51285 1 26 . 1 . 1 10 10 PHE CA C 13 53.547 0.072 . 1 . . . . . 10 PHE CA . 51285 1 27 . 1 . 1 10 10 PHE CB C 13 38.186 0.000 . 1 . . . . . 10 PHE CB . 51285 1 28 . 1 . 1 10 10 PHE CD1 C 13 128.378 0.002 . 1 . . . . . 10 PHE CD1 . 51285 1 29 . 1 . 1 10 10 PHE CD2 C 13 130.830 0.000 . 1 . . . . . 10 PHE CD2 . 51285 1 30 . 1 . 1 11 11 GLN C C 13 172.272 0.000 . 1 . . . . . 11 GLN C . 51285 1 31 . 1 . 1 11 11 GLN CA C 13 49.698 0.031 . 1 . . . . . 11 GLN CA . 51285 1 32 . 1 . 1 11 11 GLN CB C 13 31.547 0.027 . 1 . . . . . 11 GLN CB . 51285 1 33 . 1 . 1 11 11 GLN CG C 13 33.762 0.060 . 1 . . . . . 11 GLN CG . 51285 1 34 . 1 . 1 12 12 GLY C C 13 169.897 0.000 . 1 . . . . . 12 GLY C . 51285 1 35 . 1 . 1 12 12 GLY CA C 13 45.877 0.015 . 1 . . . . . 12 GLY CA . 51285 1 36 . 1 . 1 13 13 ALA C C 13 173.231 0.064 . 1 . . . . . 13 ALA C . 51285 1 37 . 1 . 1 13 13 ALA CA C 13 47.151 0.008 . 1 . . . . . 13 ALA CA . 51285 1 38 . 1 . 1 13 13 ALA CB C 13 21.162 0.031 . 1 . . . . . 13 ALA CB . 51285 1 39 . 1 . 1 14 14 GLY C C 13 167.961 0.015 . 1 . . . . . 14 GLY C . 51285 1 40 . 1 . 1 14 14 GLY CA C 13 43.005 0.029 . 1 . . . . . 14 GLY CA . 51285 1 41 . 1 . 1 14 14 GLY N N 15 107.303 0.064 . 1 . . . . . 14 GLY N . 51285 1 42 . 1 . 1 15 15 ASP C C 13 175.507 0.097 . 1 . . . . . 15 ASP C . 51285 1 43 . 1 . 1 15 15 ASP CA C 13 48.869 0.034 . 1 . . . . . 15 ASP CA . 51285 1 44 . 1 . 1 15 15 ASP CB C 13 38.808 0.029 . 1 . . . . . 15 ASP CB . 51285 1 45 . 1 . 1 15 15 ASP CG C 13 177.617 0.121 . 1 . . . . . 15 ASP CG . 51285 1 46 . 1 . 1 15 15 ASP N N 15 118.918 0.038 . 1 . . . . . 15 ASP N . 51285 1 47 . 1 . 1 16 16 MET C C 13 171.941 0.000 . 1 . . . . . 16 MET C . 51285 1 48 . 1 . 1 16 16 MET CA C 13 56.761 0.001 . 1 . . . . . 16 MET CA . 51285 1 49 . 1 . 1 16 16 MET CB C 13 29.695 0.000 . 1 . . . . . 16 MET CB . 51285 1 50 . 1 . 1 16 16 MET CG C 13 28.190 0.000 . 1 . . . . . 16 MET CG . 51285 1 51 . 1 . 1 16 16 MET N N 15 128.849 0.000 . 1 . . . . . 16 MET N . 51285 1 52 . 1 . 1 17 17 TRP C C 13 173.390 0.012 . 1 . . . . . 17 TRP C . 51285 1 53 . 1 . 1 17 17 TRP CA C 13 55.626 0.002 . 1 . . . . . 17 TRP CA . 51285 1 54 . 1 . 1 17 17 TRP CB C 13 31.400 0.004 . 1 . . . . . 17 TRP CB . 51285 1 55 . 1 . 1 17 17 TRP CG C 13 109.238 0.068 . 1 . . . . . 17 TRP CG . 51285 1 56 . 1 . 1 17 17 TRP CD2 C 13 124.312 0.000 . 1 . . . . . 17 TRP CD2 . 51285 1 57 . 1 . 1 17 17 TRP CE2 C 13 135.511 0.000 . 1 . . . . . 17 TRP CE2 . 51285 1 58 . 1 . 1 17 17 TRP CZ2 C 13 117.544 0.000 . 1 . . . . . 17 TRP CZ2 . 51285 1 59 . 1 . 1 18 18 ARG C C 13 169.755 0.013 . 1 . . . . . 18 ARG C . 51285 1 60 . 1 . 1 18 18 ARG CA C 13 52.308 0.034 . 1 . . . . . 18 ARG CA . 51285 1 61 . 1 . 1 18 18 ARG CB C 13 32.408 0.047 . 1 . . . . . 18 ARG CB . 51285 1 62 . 1 . 1 18 18 ARG CG C 13 24.835 0.039 . 1 . . . . . 18 ARG CG . 51285 1 63 . 1 . 1 18 18 ARG CD C 13 41.584 0.050 . 1 . . . . . 18 ARG CD . 51285 1 64 . 1 . 1 18 18 ARG CZ C 13 157.199 0.000 . 1 . . . . . 18 ARG CZ . 51285 1 65 . 1 . 1 19 19 ALA C C 13 172.403 0.000 . 1 . . . . . 19 ALA C . 51285 1 66 . 1 . 1 19 19 ALA CA C 13 46.900 0.052 . 1 . . . . . 19 ALA CA . 51285 1 67 . 1 . 1 19 19 ALA CB C 13 19.618 0.021 . 1 . . . . . 19 ALA CB . 51285 1 68 . 1 . 1 20 20 TYR C C 13 172.505 0.000 . 1 . . . . . 20 TYR C . 51285 1 69 . 1 . 1 20 20 TYR CA C 13 49.703 0.014 . 1 . . . . . 20 TYR CA . 51285 1 70 . 1 . 1 20 20 TYR CB C 13 35.141 0.000 . 1 . . . . . 20 TYR CB . 51285 1 71 . 1 . 1 20 20 TYR CG C 13 124.542 0.000 . 1 . . . . . 20 TYR CG . 51285 1 72 . 1 . 1 20 20 TYR CD1 C 13 131.359 0.000 . 1 . . . . . 20 TYR CD1 . 51285 1 73 . 1 . 1 20 20 TYR CD2 C 13 131.359 0.000 . 1 . . . . . 20 TYR CD2 . 51285 1 74 . 1 . 1 20 20 TYR CE1 C 13 115.731 0.000 . 1 . . . . . 20 TYR CE1 . 51285 1 75 . 1 . 1 20 20 TYR CE2 C 13 115.731 0.000 . 1 . . . . . 20 TYR CE2 . 51285 1 76 . 1 . 1 20 20 TYR N N 15 122.555 0.000 . 1 . . . . . 20 TYR N . 51285 1 77 . 1 . 1 21 21 THR CA C 13 55.094 0.028 . 1 . . . . . 21 THR CA . 51285 1 78 . 1 . 1 21 21 THR CB C 13 66.492 0.021 . 1 . . . . . 21 THR CB . 51285 1 79 . 1 . 1 22 22 ASP C C 13 170.793 0.011 . 1 . . . . . 22 ASP C . 51285 1 80 . 1 . 1 22 22 ASP CA C 13 51.859 0.037 . 1 . . . . . 22 ASP CA . 51285 1 81 . 1 . 1 22 22 ASP CB C 13 42.240 0.038 . 1 . . . . . 22 ASP CB . 51285 1 82 . 1 . 1 22 22 ASP CG C 13 173.678 0.001 . 1 . . . . . 22 ASP CG . 51285 1 83 . 1 . 1 24 24 LYS C C 13 172.223 0.000 . 1 . . . . . 24 LYS C . 51285 1 84 . 1 . 1 24 24 LYS CA C 13 52.131 0.017 . 1 . . . . . 24 LYS CA . 51285 1 85 . 1 . 1 24 24 LYS CB C 13 34.667 0.003 . 1 . . . . . 24 LYS CB . 51285 1 86 . 1 . 1 24 24 LYS CD C 13 28.026 0.000 . 1 . . . . . 24 LYS CD . 51285 1 87 . 1 . 1 24 24 LYS CE C 13 39.282 0.000 . 1 . . . . . 24 LYS CE . 51285 1 88 . 1 . 1 25 25 GLU C C 13 171.350 0.014 . 1 . . . . . 25 GLU C . 51285 1 89 . 1 . 1 25 25 GLU CA C 13 53.171 0.001 . 1 . . . . . 25 GLU CA . 51285 1 90 . 1 . 1 25 25 GLU CG C 13 37.114 0.054 . 1 . . . . . 25 GLU CG . 51285 1 91 . 1 . 1 25 25 GLU CD C 13 180.146 0.025 . 1 . . . . . 25 GLU CD . 51285 1 92 . 1 . 1 26 26 ALA C C 13 173.538 0.000 . 1 . . . . . 26 ALA C . 51285 1 93 . 1 . 1 26 26 ALA CA C 13 47.366 0.024 . 1 . . . . . 26 ALA CA . 51285 1 94 . 1 . 1 26 26 ALA CB C 13 21.067 0.059 . 1 . . . . . 26 ALA CB . 51285 1 95 . 1 . 1 26 26 ALA N N 15 119.881 0.000 . 1 . . . . . 26 ALA N . 51285 1 96 . 1 . 1 27 27 GLY C C 13 168.901 0.000 . 1 . . . . . 27 GLY C . 51285 1 97 . 1 . 1 27 27 GLY CA C 13 43.005 0.017 . 1 . . . . . 27 GLY CA . 51285 1 98 . 1 . 1 28 28 TRP C C 13 171.985 0.000 . 1 . . . . . 28 TRP C . 51285 1 99 . 1 . 1 28 28 TRP CA C 13 53.822 0.000 . 1 . . . . . 28 TRP CA . 51285 1 100 . 1 . 1 28 28 TRP CG C 13 109.371 0.000 . 1 . . . . . 28 TRP CG . 51285 1 101 . 1 . 1 28 28 TRP CD1 C 13 126.300 0.000 . 1 . . . . . 28 TRP CD1 . 51285 1 102 . 1 . 1 28 28 TRP CE2 C 13 136.022 0.000 . 1 . . . . . 28 TRP CE2 . 51285 1 103 . 1 . 1 28 28 TRP CZ3 C 13 119.513 0.000 . 1 . . . . . 28 TRP CZ3 . 51285 1 104 . 1 . 1 30 30 ASP C C 13 172.707 0.000 . 1 . . . . . 30 ASP C . 51285 1 105 . 1 . 1 30 30 ASP CA C 13 52.466 0.000 . 1 . . . . . 30 ASP CA . 51285 1 106 . 1 . 1 30 30 ASP CB C 13 39.339 0.033 . 1 . . . . . 30 ASP CB . 51285 1 107 . 1 . 1 30 30 ASP N N 15 127.751 0.028 . 1 . . . . . 30 ASP N . 51285 1 108 . 1 . 1 31 31 GLY C C 13 173.348 0.000 . 1 . . . . . 31 GLY C . 51285 1 109 . 1 . 1 31 31 GLY CA C 13 47.267 0.095 . 1 . . . . . 31 GLY CA . 51285 1 110 . 1 . 1 31 31 GLY N N 15 118.269 0.010 . 1 . . . . . 31 GLY N . 51285 1 111 . 1 . 1 32 32 ASP C C 13 170.274 0.000 . 1 . . . . . 32 ASP C . 51285 1 112 . 1 . 1 32 32 ASP CA C 13 53.850 0.054 . 1 . . . . . 32 ASP CA . 51285 1 113 . 1 . 1 32 32 ASP CB C 13 40.329 0.050 . 1 . . . . . 32 ASP CB . 51285 1 114 . 1 . 1 32 32 ASP N N 15 126.155 0.040 . 1 . . . . . 32 ASP N . 51285 1 115 . 1 . 1 43 43 ALA C C 13 172.101 0.000 . 1 . . . . . 43 ALA C . 51285 1 116 . 1 . 1 43 43 ALA CA C 13 46.765 0.023 . 1 . . . . . 43 ALA CA . 51285 1 117 . 1 . 1 43 43 ALA CB C 13 19.511 0.000 . 1 . . . . . 43 ALA CB . 51285 1 118 . 1 . 1 44 44 ALA C C 13 172.299 0.000 . 1 . . . . . 44 ALA C . 51285 1 119 . 1 . 1 44 44 ALA CA C 13 46.916 0.005 . 1 . . . . . 44 ALA CA . 51285 1 120 . 1 . 1 44 44 ALA CB C 13 19.446 0.000 . 1 . . . . . 44 ALA CB . 51285 1 121 . 1 . 1 45 45 GLN C C 13 170.829 0.000 . 1 . . . . . 45 GLN C . 51285 1 122 . 1 . 1 45 45 GLN CA C 13 51.889 0.013 . 1 . . . . . 45 GLN CA . 51285 1 123 . 1 . 1 45 45 GLN CB C 13 29.161 0.001 . 1 . . . . . 45 GLN CB . 51285 1 124 . 1 . 1 45 45 GLN CG C 13 35.673 0.009 . 1 . . . . . 45 GLN CG . 51285 1 125 . 1 . 1 46 46 ARG CA C 13 51.717 0.042 . 1 . . . . . 46 ARG CA . 51285 1 126 . 1 . 1 46 46 ARG CB C 13 33.462 0.010 . 1 . . . . . 46 ARG CB . 51285 1 127 . 1 . 1 46 46 ARG CD C 13 42.309 0.012 . 1 . . . . . 46 ARG CD . 51285 1 128 . 1 . 1 46 46 ARG N N 15 123.746 0.006 . 1 . . . . . 46 ARG N . 51285 1 129 . 1 . 1 47 47 GLY C C 13 166.033 0.000 . 1 . . . . . 47 GLY C . 51285 1 130 . 1 . 1 47 47 GLY CA C 13 42.971 0.090 . 1 . . . . . 47 GLY CA . 51285 1 131 . 1 . 1 48 48 PRO CA C 13 59.404 0.001 . 1 . . . . . 48 PRO CA . 51285 1 132 . 1 . 1 48 48 PRO CB C 13 30.922 0.000 . 1 . . . . . 48 PRO CB . 51285 1 133 . 1 . 1 48 48 PRO CD C 13 47.677 0.016 . 1 . . . . . 48 PRO CD . 51285 1 134 . 1 . 1 49 49 GLY C C 13 172.343 0.000 . 1 . . . . . 49 GLY C . 51285 1 135 . 1 . 1 49 49 GLY CA C 13 45.866 0.053 . 1 . . . . . 49 GLY CA . 51285 1 136 . 1 . 1 50 50 GLY C C 13 168.095 0.015 . 1 . . . . . 50 GLY C . 51285 1 137 . 1 . 1 50 50 GLY CA C 13 42.857 0.002 . 1 . . . . . 50 GLY CA . 51285 1 138 . 1 . 1 51 51 VAL C C 13 169.377 0.000 . 1 . . . . . 51 VAL C . 51285 1 139 . 1 . 1 51 51 VAL CA C 13 58.764 0.036 . 1 . . . . . 51 VAL CA . 51285 1 140 . 1 . 1 51 51 VAL CB C 13 32.965 0.014 . 1 . . . . . 51 VAL CB . 51285 1 141 . 1 . 1 51 51 VAL CG1 C 13 18.722 0.000 . 2 . . . . . 51 VAL CG1 . 51285 1 142 . 1 . 1 51 51 VAL CG2 C 13 18.835 0.027 . 2 . . . . . 51 VAL CG2 . 51285 1 143 . 1 . 1 52 52 TRP C C 13 171.486 0.015 . 1 . . . . . 52 TRP C . 51285 1 144 . 1 . 1 52 52 TRP CA C 13 55.230 0.019 . 1 . . . . . 52 TRP CA . 51285 1 145 . 1 . 1 52 52 TRP CB C 13 29.624 0.006 . 1 . . . . . 52 TRP CB . 51285 1 146 . 1 . 1 52 52 TRP CD1 C 13 127.783 0.000 . 1 . . . . . 52 TRP CD1 . 51285 1 147 . 1 . 1 52 52 TRP CE2 C 13 135.557 0.000 . 1 . . . . . 52 TRP CE2 . 51285 1 148 . 1 . 1 52 52 TRP CE3 C 13 121.979 0.000 . 1 . . . . . 52 TRP CE3 . 51285 1 149 . 1 . 1 52 52 TRP CZ2 C 13 116.677 0.000 . 1 . . . . . 52 TRP CZ2 . 51285 1 150 . 1 . 1 52 52 TRP CZ3 C 13 119.722 0.000 . 1 . . . . . 52 TRP CZ3 . 51285 1 151 . 1 . 1 52 52 TRP N N 15 129.688 0.000 . 1 . . . . . 52 TRP N . 51285 1 152 . 1 . 1 53 53 ALA CA C 13 48.013 0.018 . 1 . . . . . 53 ALA CA . 51285 1 153 . 1 . 1 53 53 ALA CB C 13 17.733 0.011 . 1 . . . . . 53 ALA CB . 51285 1 154 . 1 . 1 54 54 ALA C C 13 172.707 0.000 . 1 . . . . . 54 ALA C . 51285 1 155 . 1 . 1 54 54 ALA CA C 13 49.506 0.011 . 1 . . . . . 54 ALA CA . 51285 1 156 . 1 . 1 54 54 ALA CB C 13 16.920 0.000 . 1 . . . . . 54 ALA CB . 51285 1 157 . 1 . 1 55 55 GLU C C 13 173.342 0.000 . 1 . . . . . 55 GLU C . 51285 1 158 . 1 . 1 55 55 GLU CA C 13 50.928 0.040 . 1 . . . . . 55 GLU CA . 51285 1 159 . 1 . 1 55 55 GLU CB C 13 30.651 0.002 . 1 . . . . . 55 GLU CB . 51285 1 160 . 1 . 1 55 55 GLU CG C 13 32.975 0.010 . 1 . . . . . 55 GLU CG . 51285 1 161 . 1 . 1 56 56 LYS C C 13 171.763 0.000 . 1 . . . . . 56 LYS C . 51285 1 162 . 1 . 1 56 56 LYS CA C 13 54.418 0.038 . 1 . . . . . 56 LYS CA . 51285 1 163 . 1 . 1 56 56 LYS CB C 13 34.028 0.000 . 1 . . . . . 56 LYS CB . 51285 1 164 . 1 . 1 56 56 LYS CG C 13 24.827 0.072 . 1 . . . . . 56 LYS CG . 51285 1 165 . 1 . 1 56 56 LYS N N 15 125.646 0.065 . 1 . . . . . 56 LYS N . 51285 1 166 . 1 . 1 57 57 ILE CA C 13 57.491 0.036 . 1 . . . . . 57 ILE CA . 51285 1 167 . 1 . 1 57 57 ILE CB C 13 37.406 0.025 . 1 . . . . . 57 ILE CB . 51285 1 168 . 1 . 1 57 57 ILE CG2 C 13 16.795 0.006 . 1 . . . . . 57 ILE CG2 . 51285 1 169 . 1 . 1 57 57 ILE CD1 C 13 11.530 0.000 . 1 . . . . . 57 ILE CD1 . 51285 1 170 . 1 . 1 58 58 SER C C 13 172.170 0.000 . 1 . . . . . 58 SER C . 51285 1 171 . 1 . 1 58 58 SER CA C 13 52.926 0.000 . 1 . . . . . 58 SER CA . 51285 1 172 . 1 . 1 58 58 SER CB C 13 62.693 0.006 . 1 . . . . . 58 SER CB . 51285 1 173 . 1 . 1 59 59 ASP C C 13 173.672 0.000 . 1 . . . . . 59 ASP C . 51285 1 174 . 1 . 1 59 59 ASP CA C 13 51.650 0.014 . 1 . . . . . 59 ASP CA . 51285 1 175 . 1 . 1 59 59 ASP CB C 13 39.122 0.005 . 1 . . . . . 59 ASP CB . 51285 1 stop_ save_