################################### # 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 53315 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MthK pore domain' _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 '3D (H)NCOCA' . . . 53315 1 2 '3D (H)NCACO' . . . 53315 1 3 '3D (H)CANCO' . . . 53315 1 4 '3D (H)NCACB' . . . 53315 1 5 '3D (H)NCO(CA)CB' . . . 53315 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 . . 53315 1 2 $software_2 . . 53315 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 6 6 LEU C C 13 177.99 . . 1 . . . . . 28 LEU C . 53315 1 2 . 1 . 1 6 6 LEU CA C 13 58.15 . . 1 . . . . . 28 LEU CA . 53315 1 3 . 1 . 1 7 7 ALA C C 13 178.92 . . 1 . . . . . 29 ALA C . 53315 1 4 . 1 . 1 7 7 ALA CA C 13 55.62 . . 1 . . . . . 29 ALA CA . 53315 1 5 . 1 . 1 7 7 ALA N N 15 120.39 . . 1 . . . . . 29 ALA N . 53315 1 6 . 1 . 1 8 8 VAL C C 13 177.45 . . 1 . . . . . 30 VAL C . 53315 1 7 . 1 . 1 8 8 VAL CA C 13 66.87 . . 1 . . . . . 30 VAL CA . 53315 1 8 . 1 . 1 8 8 VAL CB C 13 31.40 . . 1 . . . . . 30 VAL CB . 53315 1 9 . 1 . 1 8 8 VAL N N 15 116.65 . . 1 . . . . . 30 VAL N . 53315 1 10 . 1 . 1 9 9 ILE C C 13 179.75 . . 1 . . . . . 31 ILE C . 53315 1 11 . 1 . 1 9 9 ILE CA C 13 64.37 . . 1 . . . . . 31 ILE CA . 53315 1 12 . 1 . 1 9 9 ILE CB C 13 37.54 . . 1 . . . . . 31 ILE CB . 53315 1 13 . 1 . 1 9 9 ILE N N 15 119.46 . . 1 . . . . . 31 ILE N . 53315 1 14 . 1 . 1 10 10 ILE C C 13 176.32 . . 1 . . . . . 32 ILE C . 53315 1 15 . 1 . 1 10 10 ILE CA C 13 66.30 . . 1 . . . . . 32 ILE CA . 53315 1 16 . 1 . 1 10 10 ILE CB C 13 37.77 . . 1 . . . . . 32 ILE CB . 53315 1 17 . 1 . 1 10 10 ILE N N 15 123.55 . . 1 . . . . . 32 ILE N . 53315 1 18 . 1 . 1 11 11 TYR C C 13 177.99 . . 1 . . . . . 33 TYR C . 53315 1 19 . 1 . 1 11 11 TYR CA C 13 61.51 . . 1 . . . . . 33 TYR CA . 53315 1 20 . 1 . 1 11 11 TYR CB C 13 39.59 . . 1 . . . . . 33 TYR CB . 53315 1 21 . 1 . 1 11 11 TYR N N 15 120.54 . . 1 . . . . . 33 TYR N . 53315 1 22 . 1 . 1 12 12 GLY C C 13 174.94 . . 1 . . . . . 34 GLY C . 53315 1 23 . 1 . 1 12 12 GLY CA C 13 48.42 . . 1 . . . . . 34 GLY CA . 53315 1 24 . 1 . 1 12 12 GLY N N 15 103.64 . . 1 . . . . . 34 GLY N . 53315 1 25 . 1 . 1 13 13 THR C C 13 176.75 . . 1 . . . . . 35 THR C . 53315 1 26 . 1 . 1 13 13 THR CA C 13 67.41 . . 1 . . . . . 35 THR CA . 53315 1 27 . 1 . 1 13 13 THR CB C 13 68.98 . . 1 . . . . . 35 THR CB . 53315 1 28 . 1 . 1 13 13 THR N N 15 116.98 . . 1 . . . . . 35 THR N . 53315 1 29 . 1 . 1 14 14 ALA C C 13 179.38 . . 1 . . . . . 36 ALA C . 53315 1 30 . 1 . 1 14 14 ALA CA C 13 55.12 . . 1 . . . . . 36 ALA CA . 53315 1 31 . 1 . 1 14 14 ALA CB C 13 18.08 . . 1 . . . . . 36 ALA CB . 53315 1 32 . 1 . 1 14 14 ALA N N 15 121.02 . . 1 . . . . . 36 ALA N . 53315 1 33 . 1 . 1 15 15 GLY C C 13 174.29 . . 1 . . . . . 37 GLY C . 53315 1 34 . 1 . 1 15 15 GLY CA C 13 47.56 . . 1 . . . . . 37 GLY CA . 53315 1 35 . 1 . 1 15 15 GLY N N 15 104.62 . . 1 . . . . . 37 GLY N . 53315 1 36 . 1 . 1 16 16 PHE C C 13 177.84 . . 1 . . . . . 38 PHE C . 53315 1 37 . 1 . 1 16 16 PHE CA C 13 63.39 . . 1 . . . . . 38 PHE CA . 53315 1 38 . 1 . 1 16 16 PHE CB C 13 38.61 . . 1 . . . . . 38 PHE CB . 53315 1 39 . 1 . 1 16 16 PHE N N 15 123.92 . . 1 . . . . . 38 PHE N . 53315 1 40 . 1 . 1 17 17 HIS C C 13 178.09 . . 1 . . . . . 39 HIS C . 53315 1 41 . 1 . 1 17 17 HIS CA C 13 58.10 . . 1 . . . . . 39 HIS CA . 53315 1 42 . 1 . 1 17 17 HIS CB C 13 26.54 . . 1 . . . . . 39 HIS CB . 53315 1 43 . 1 . 1 17 17 HIS N N 15 115.72 . . 1 . . . . . 39 HIS N . 53315 1 44 . 1 . 1 18 18 PHE C C 13 176.85 . . 1 . . . . . 40 PHE C . 53315 1 45 . 1 . 1 18 18 PHE CA C 13 60.89 . . 1 . . . . . 40 PHE CA . 53315 1 46 . 1 . 1 18 18 PHE N N 15 115.12 . . 1 . . . . . 40 PHE N . 53315 1 47 . 1 . 1 19 19 ILE C C 13 176.83 . . 1 . . . . . 41 ILE C . 53315 1 48 . 1 . 1 19 19 ILE CA C 13 64.53 . . 1 . . . . . 41 ILE CA . 53315 1 49 . 1 . 1 19 19 ILE CB C 13 38.08 . . 1 . . . . . 41 ILE CB . 53315 1 50 . 1 . 1 19 19 ILE N N 15 117.11 . . 1 . . . . . 41 ILE N . 53315 1 51 . 1 . 1 20 20 GLU C C 13 177.40 . . 1 . . . . . 42 GLU C . 53315 1 52 . 1 . 1 20 20 GLU CA C 13 55.21 . . 1 . . . . . 42 GLU CA . 53315 1 53 . 1 . 1 20 20 GLU N N 15 114.62 . . 1 . . . . . 42 GLU N . 53315 1 54 . 1 . 1 21 21 GLY C C 13 174.69 . . 1 . . . . . 43 GLY C . 53315 1 55 . 1 . 1 21 21 GLY CA C 13 46.32 . . 1 . . . . . 43 GLY CA . 53315 1 56 . 1 . 1 21 21 GLY N N 15 106.16 . . 1 . . . . . 43 GLY N . 53315 1 57 . 1 . 1 22 22 GLU C C 13 175.92 . . 1 . . . . . 44 GLU C . 53315 1 58 . 1 . 1 22 22 GLU CA C 13 53.53 . . 1 . . . . . 44 GLU CA . 53315 1 59 . 1 . 1 22 22 GLU CB C 13 30.60 . . 1 . . . . . 44 GLU CB . 53315 1 60 . 1 . 1 22 22 GLU N N 15 115.34 . . 1 . . . . . 44 GLU N . 53315 1 61 . 1 . 1 23 23 SER C C 13 175.45 . . 1 . . . . . 45 SER C . 53315 1 62 . 1 . 1 23 23 SER CA C 13 57.52 . . 1 . . . . . 45 SER CA . 53315 1 63 . 1 . 1 23 23 SER CB C 13 64.93 . . 1 . . . . . 45 SER CB . 53315 1 64 . 1 . 1 23 23 SER N N 15 118.66 . . 1 . . . . . 45 SER N . 53315 1 65 . 1 . 1 24 24 TRP C C 13 177.89 . . 1 . . . . . 46 TRP C . 53315 1 66 . 1 . 1 24 24 TRP CA C 13 61.84 . . 1 . . . . . 46 TRP CA . 53315 1 67 . 1 . 1 24 24 TRP CB C 13 28.43 . . 1 . . . . . 46 TRP CB . 53315 1 68 . 1 . 1 24 24 TRP N N 15 126.38 . . 1 . . . . . 46 TRP N . 53315 1 69 . 1 . 1 25 25 THR C C 13 175.86 . . 1 . . . . . 47 THR C . 53315 1 70 . 1 . 1 25 25 THR CA C 13 67.70 . . 1 . . . . . 47 THR CA . 53315 1 71 . 1 . 1 25 25 THR CB C 13 69.48 . . 1 . . . . . 47 THR CB . 53315 1 72 . 1 . 1 25 25 THR N N 15 115.81 . . 1 . . . . . 47 THR N . 53315 1 73 . 1 . 1 26 26 VAL C C 13 177.67 . . 1 . . . . . 48 VAL C . 53315 1 74 . 1 . 1 26 26 VAL CA C 13 66.27 . . 1 . . . . . 48 VAL CA . 53315 1 75 . 1 . 1 26 26 VAL CB C 13 31.10 . . 1 . . . . . 48 VAL CB . 53315 1 76 . 1 . 1 26 26 VAL N N 15 120.97 . . 1 . . . . . 48 VAL N . 53315 1 77 . 1 . 1 27 27 SER C C 13 176.49 . . 1 . . . . . 49 SER C . 53315 1 78 . 1 . 1 27 27 SER CA C 13 63.51 . . 1 . . . . . 49 SER CA . 53315 1 79 . 1 . 1 27 27 SER N N 15 115.97 . . 1 . . . . . 49 SER N . 53315 1 80 . 1 . 1 28 28 LEU C C 13 178.74 . . 1 . . . . . 50 LEU C . 53315 1 81 . 1 . 1 28 28 LEU CA C 13 57.70 . . 1 . . . . . 50 LEU CA . 53315 1 82 . 1 . 1 28 28 LEU CB C 13 42.15 . . 1 . . . . . 50 LEU CB . 53315 1 83 . 1 . 1 28 28 LEU N N 15 128.24 . . 1 . . . . . 50 LEU N . 53315 1 84 . 1 . 1 29 29 TYR C C 13 176.16 . . 1 . . . . . 51 TYR C . 53315 1 85 . 1 . 1 29 29 TYR CA C 13 60.67 . . 1 . . . . . 51 TYR CA . 53315 1 86 . 1 . 1 29 29 TYR CB C 13 38.48 . . 1 . . . . . 51 TYR CB . 53315 1 87 . 1 . 1 29 29 TYR N N 15 122.09 . . 1 . . . . . 51 TYR N . 53315 1 88 . 1 . 1 30 30 TRP C C 13 178.94 . . 1 . . . . . 52 TRP C . 53315 1 89 . 1 . 1 30 30 TRP CA C 13 61.91 . . 1 . . . . . 52 TRP CA . 53315 1 90 . 1 . 1 30 30 TRP CB C 13 27.70 . . 1 . . . . . 52 TRP CB . 53315 1 91 . 1 . 1 30 30 TRP N N 15 121.36 . . 1 . . . . . 52 TRP N . 53315 1 92 . 1 . 1 31 31 THR C C 13 176.66 . . 1 . . . . . 53 THR C . 53315 1 93 . 1 . 1 31 31 THR CA C 13 68.83 . . 1 . . . . . 53 THR CA . 53315 1 94 . 1 . 1 31 31 THR N N 15 121.36 . . 1 . . . . . 53 THR N . 53315 1 95 . 1 . 1 32 32 PHE C C 13 177.16 . . 1 . . . . . 54 PHE C . 53315 1 96 . 1 . 1 32 32 PHE CA C 13 63.88 . . 1 . . . . . 54 PHE CA . 53315 1 97 . 1 . 1 32 32 PHE CB C 13 39.75 . . 1 . . . . . 54 PHE CB . 53315 1 98 . 1 . 1 32 32 PHE N N 15 119.16 . . 1 . . . . . 54 PHE N . 53315 1 99 . 1 . 1 33 33 VAL C C 13 178.11 . . 1 . . . . . 55 VAL C . 53315 1 100 . 1 . 1 33 33 VAL CA C 13 66.36 . . 1 . . . . . 55 VAL CA . 53315 1 101 . 1 . 1 33 33 VAL CB C 13 32.10 . . 1 . . . . . 55 VAL CB . 53315 1 102 . 1 . 1 33 33 VAL N N 15 117.80 . . 1 . . . . . 55 VAL N . 53315 1 103 . 1 . 1 34 34 THR C C 13 175.99 . . 1 . . . . . 56 THR C . 53315 1 104 . 1 . 1 34 34 THR CA C 13 68.03 . . 1 . . . . . 56 THR CA . 53315 1 105 . 1 . 1 34 34 THR N N 15 119.94 . . 1 . . . . . 56 THR N . 53315 1 106 . 1 . 1 35 35 ILE C C 13 175.23 . . 1 . . . . . 57 ILE C . 53315 1 107 . 1 . 1 35 35 ILE CA C 13 64.97 . . 1 . . . . . 57 ILE CA . 53315 1 108 . 1 . 1 35 35 ILE CB C 13 35.95 . . 1 . . . . . 57 ILE CB . 53315 1 109 . 1 . 1 35 35 ILE N N 15 114.90 . . 1 . . . . . 57 ILE N . 53315 1 110 . 1 . 1 38 38 VAL C C 13 177.28 . . 1 . . . . . 60 VAL C . 53315 1 111 . 1 . 1 38 38 VAL CA C 13 66.15 . . 1 . . . . . 60 VAL CA . 53315 1 112 . 1 . 1 38 38 VAL CB C 13 31.58 . . 1 . . . . . 60 VAL CB . 53315 1 113 . 1 . 1 38 38 VAL N N 15 122.05 . . 1 . . . . . 60 VAL N . 53315 1 114 . 1 . 1 39 39 GLY C C 13 173.28 . . 1 . . . . . 61 GLY C . 53315 1 115 . 1 . 1 39 39 GLY CA C 13 47.30 . . 1 . . . . . 61 GLY CA . 53315 1 116 . 1 . 1 39 39 GLY N N 15 101.16 . . 1 . . . . . 61 GLY N . 53315 1 117 . 1 . 1 40 40 TYR C C 13 178.08 . . 1 . . . . . 62 TYR C . 53315 1 118 . 1 . 1 40 40 TYR CA C 13 59.82 . . 1 . . . . . 62 TYR CA . 53315 1 119 . 1 . 1 40 40 TYR CB C 13 39.84 . . 1 . . . . . 62 TYR CB . 53315 1 120 . 1 . 1 40 40 TYR N N 15 112.08 . . 1 . . . . . 62 TYR N . 53315 1 121 . 1 . 1 41 41 GLY C C 13 175.17 . . 1 . . . . . 63 GLY C . 53315 1 122 . 1 . 1 41 41 GLY CA C 13 44.80 . . 1 . . . . . 63 GLY CA . 53315 1 123 . 1 . 1 41 41 GLY N N 15 100.15 . . 1 . . . . . 63 GLY N . 53315 1 124 . 1 . 1 42 42 ASP C C 13 175.48 . . 1 . . . . . 64 ASP C . 53315 1 125 . 1 . 1 42 42 ASP CA C 13 55.42 . . 1 . . . . . 64 ASP CA . 53315 1 126 . 1 . 1 42 42 ASP CB C 13 36.25 . . 1 . . . . . 64 ASP CB . 53315 1 127 . 1 . 1 42 42 ASP N N 15 120.69 . . 1 . . . . . 64 ASP N . 53315 1 128 . 1 . 1 43 43 TYR C C 13 174.34 . . 1 . . . . . 65 TYR C . 53315 1 129 . 1 . 1 43 43 TYR CA C 13 57.32 . . 1 . . . . . 65 TYR CA . 53315 1 130 . 1 . 1 43 43 TYR CB C 13 41.38 . . 1 . . . . . 65 TYR CB . 53315 1 131 . 1 . 1 43 43 TYR N N 15 115.41 . . 1 . . . . . 65 TYR N . 53315 1 132 . 1 . 1 44 44 SER C C 13 169.69 . . 1 . . . . . 66 SER C . 53315 1 133 . 1 . 1 44 44 SER CA C 13 56.66 . . 1 . . . . . 66 SER CA . 53315 1 134 . 1 . 1 44 44 SER CB C 13 61.00 . . 1 . . . . . 66 SER CB . 53315 1 135 . 1 . 1 44 44 SER N N 15 115.67 . . 1 . . . . . 66 SER N . 53315 1 136 . 1 . 1 45 45 PRO C C 13 176.21 . . 1 . . . . . 67 PRO C . 53315 1 137 . 1 . 1 45 45 PRO CA C 13 62.48 . . 1 . . . . . 67 PRO CA . 53315 1 138 . 1 . 1 46 46 SER C C 13 174.52 . . 1 . . . . . 68 SER C . 53315 1 139 . 1 . 1 46 46 SER CA C 13 58.41 . . 1 . . . . . 68 SER CA . 53315 1 140 . 1 . 1 46 46 SER CB C 13 64.88 . . 1 . . . . . 68 SER CB . 53315 1 141 . 1 . 1 46 46 SER N N 15 116.17 . . 1 . . . . . 68 SER N . 53315 1 142 . 1 . 1 47 47 THR C C 13 172.79 . . 1 . . . . . 69 THR C . 53315 1 143 . 1 . 1 47 47 THR CA C 13 58.56 . . 1 . . . . . 69 THR CA . 53315 1 144 . 1 . 1 47 47 THR CB C 13 70.26 . . 1 . . . . . 69 THR CB . 53315 1 145 . 1 . 1 47 47 THR N N 15 115.30 . . 1 . . . . . 69 THR N . 53315 1 146 . 1 . 1 48 48 PRO C C 13 178.27 . . 1 . . . . . 70 PRO C . 53315 1 147 . 1 . 1 48 48 PRO CA C 13 66.04 . . 1 . . . . . 70 PRO CA . 53315 1 148 . 1 . 1 49 49 LEU C C 13 178.77 . . 1 . . . . . 71 LEU C . 53315 1 149 . 1 . 1 49 49 LEU CA C 13 58.39 . . 1 . . . . . 71 LEU CA . 53315 1 150 . 1 . 1 49 49 LEU CB C 13 41.20 . . 1 . . . . . 71 LEU CB . 53315 1 151 . 1 . 1 49 49 LEU N N 15 117.24 . . 1 . . . . . 71 LEU N . 53315 1 152 . 1 . 1 50 50 GLY C C 13 177.98 . . 1 . . . . . 72 GLY C . 53315 1 153 . 1 . 1 50 50 GLY CA C 13 47.17 . . 1 . . . . . 72 GLY CA . 53315 1 154 . 1 . 1 50 50 GLY N N 15 106.60 . . 1 . . . . . 72 GLY N . 53315 1 155 . 1 . 1 51 51 MET C C 13 177.62 . . 1 . . . . . 73 MET C . 53315 1 156 . 1 . 1 51 51 MET CA C 13 61.05 . . 1 . . . . . 73 MET CA . 53315 1 157 . 1 . 1 51 51 MET CB C 13 31.09 . . 1 . . . . . 73 MET CB . 53315 1 158 . 1 . 1 51 51 MET N N 15 127.40 . . 1 . . . . . 73 MET N . 53315 1 159 . 1 . 1 52 52 TYR C C 13 178.91 . . 1 . . . . . 74 TYR C . 53315 1 160 . 1 . 1 52 52 TYR CA C 13 63.46 . . 1 . . . . . 74 TYR CA . 53315 1 161 . 1 . 1 52 52 TYR CB C 13 38.59 . . 1 . . . . . 74 TYR CB . 53315 1 162 . 1 . 1 52 52 TYR N N 15 118.41 . . 1 . . . . . 74 TYR N . 53315 1 163 . 1 . 1 53 53 PHE C C 13 178.87 . . 1 . . . . . 75 PHE C . 53315 1 164 . 1 . 1 53 53 PHE CA C 13 60.21 . . 1 . . . . . 75 PHE CA . 53315 1 165 . 1 . 1 53 53 PHE CB C 13 38.05 . . 1 . . . . . 75 PHE CB . 53315 1 166 . 1 . 1 53 53 PHE N N 15 119.84 . . 1 . . . . . 75 PHE N . 53315 1 167 . 1 . 1 54 54 THR C C 13 175.67 . . 1 . . . . . 76 THR C . 53315 1 168 . 1 . 1 54 54 THR CA C 13 68.71 . . 1 . . . . . 76 THR CA . 53315 1 169 . 1 . 1 54 54 THR CB C 13 67.74 . . 1 . . . . . 76 THR CB . 53315 1 170 . 1 . 1 54 54 THR N N 15 122.12 . . 1 . . . . . 76 THR N . 53315 1 171 . 1 . 1 55 55 VAL C C 13 177.26 . . 1 . . . . . 77 VAL C . 53315 1 172 . 1 . 1 55 55 VAL CA C 13 68.45 . . 1 . . . . . 77 VAL CA . 53315 1 173 . 1 . 1 55 55 VAL CB C 13 30.25 . . 1 . . . . . 77 VAL CB . 53315 1 174 . 1 . 1 55 55 VAL N N 15 121.71 . . 1 . . . . . 77 VAL N . 53315 1 175 . 1 . 1 56 56 THR C C 13 174.78 . . 1 . . . . . 78 THR C . 53315 1 176 . 1 . 1 56 56 THR CA C 13 66.05 . . 1 . . . . . 78 THR CA . 53315 1 177 . 1 . 1 56 56 THR CB C 13 69.09 . . 1 . . . . . 78 THR CB . 53315 1 178 . 1 . 1 56 56 THR N N 15 108.43 . . 1 . . . . . 78 THR N . 53315 1 179 . 1 . 1 57 57 LEU C C 13 178.66 . . 1 . . . . . 79 LEU C . 53315 1 180 . 1 . 1 57 57 LEU CA C 13 57.43 . . 1 . . . . . 79 LEU CA . 53315 1 181 . 1 . 1 57 57 LEU CB C 13 41.95 . . 1 . . . . . 79 LEU CB . 53315 1 182 . 1 . 1 57 57 LEU N N 15 123.37 . . 1 . . . . . 79 LEU N . 53315 1 stop_ save_