################################### # 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 52514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Small hydrophobic protein 1-34 in DHPC' _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' . . . 52514 1 2 '3D 1H-15N NOESY' . . . 52514 1 3 '3D HNCO' . . . 52514 1 4 '3D HNCACO' . . . 52514 1 5 '3D HNCACB' . . . 52514 1 6 '3D HN(CO)CACB' . . . 52514 1 7 '2D 1H-15N TROSY' . . . 52514 1 8 '2D 1H-15N TROSY' . . . 52514 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 . . 52514 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 PRO C C 13 176.308 0.003 . 1 . . . . . 3 PRO C . 52514 1 2 . 1 . 1 3 3 PRO CA C 13 63.305 0.008 . 1 . . . . . 3 PRO CA . 52514 1 3 . 1 . 1 3 3 PRO CB C 13 32.069 0.007 . 1 . . . . . 3 PRO CB . 52514 1 4 . 1 . 1 4 4 ALA H H 1 8.285 0.001 . 1 . . . . . 4 ALA H . 52514 1 5 . 1 . 1 4 4 ALA C C 13 177.399 0.005 . 1 . . . . . 4 ALA C . 52514 1 6 . 1 . 1 4 4 ALA CA C 13 52.498 0.009 . 1 . . . . . 4 ALA CA . 52514 1 7 . 1 . 1 4 4 ALA CB C 13 19.232 0.007 . 1 . . . . . 4 ALA CB . 52514 1 8 . 1 . 1 4 4 ALA N N 15 123.834 0.018 . 1 . . . . . 4 ALA N . 52514 1 9 . 1 . 1 5 5 ILE H H 1 7.918 0.002 . 1 . . . . . 5 ILE H . 52514 1 10 . 1 . 1 5 5 ILE HA H 1 4.171 0.000 . 1 . . . . . 5 ILE HA . 52514 1 11 . 1 . 1 5 5 ILE HB H 1 1.844 0.000 . 1 . . . . . 5 ILE HB . 52514 1 12 . 1 . 1 5 5 ILE HG12 H 1 0.848 0.000 . 1 . . . . . 5 ILE HG12 . 52514 1 13 . 1 . 1 5 5 ILE C C 13 175.455 0.007 . 1 . . . . . 5 ILE C . 52514 1 14 . 1 . 1 5 5 ILE CA C 13 60.655 0.012 . 1 . . . . . 5 ILE CA . 52514 1 15 . 1 . 1 5 5 ILE CB C 13 38.914 0.011 . 1 . . . . . 5 ILE CB . 52514 1 16 . 1 . 1 5 5 ILE N N 15 118.822 0.039 . 1 . . . . . 5 ILE N . 52514 1 17 . 1 . 1 6 6 GLN H H 1 8.259 0.002 . 1 . . . . . 6 GLN H . 52514 1 18 . 1 . 1 6 6 GLN C C 13 173.972 0.000 . 1 . . . . . 6 GLN C . 52514 1 19 . 1 . 1 6 6 GLN CA C 13 54.323 0.000 . 1 . . . . . 6 GLN CA . 52514 1 20 . 1 . 1 6 6 GLN CB C 13 28.846 0.000 . 1 . . . . . 6 GLN CB . 52514 1 21 . 1 . 1 6 6 GLN N N 15 124.314 0.013 . 1 . . . . . 6 GLN N . 52514 1 22 . 1 . 1 9 9 LEU C C 13 178.302 0.007 . 1 . . . . . 9 LEU C . 52514 1 23 . 1 . 1 9 9 LEU CA C 13 57.763 0.004 . 1 . . . . . 9 LEU CA . 52514 1 24 . 1 . 1 9 9 LEU CB C 13 41.889 0.055 . 1 . . . . . 9 LEU CB . 52514 1 25 . 1 . 1 10 10 TYR H H 1 7.985 0.003 . 1 . . . . . 10 TYR H . 52514 1 26 . 1 . 1 10 10 TYR C C 13 177.509 0.020 . 1 . . . . . 10 TYR C . 52514 1 27 . 1 . 1 10 10 TYR CA C 13 60.830 0.031 . 1 . . . . . 10 TYR CA . 52514 1 28 . 1 . 1 10 10 TYR CB C 13 37.764 0.090 . 1 . . . . . 10 TYR CB . 52514 1 29 . 1 . 1 10 10 TYR N N 15 116.850 0.018 . 1 . . . . . 10 TYR N . 52514 1 30 . 1 . 1 11 11 LEU C C 13 178.043 0.005 . 1 . . . . . 11 LEU C . 52514 1 31 . 1 . 1 11 11 LEU CA C 13 57.897 0.057 . 1 . . . . . 11 LEU CA . 52514 1 32 . 1 . 1 11 11 LEU CB C 13 41.907 0.093 . 1 . . . . . 11 LEU CB . 52514 1 33 . 1 . 1 11 11 LEU N N 15 118.724 0.025 . 1 . . . . . 11 LEU N . 52514 1 34 . 1 . 1 12 12 THR H H 1 7.797 0.002 . 1 . . . . . 12 THR H . 52514 1 35 . 1 . 1 12 12 THR C C 13 175.801 0.007 . 1 . . . . . 12 THR C . 52514 1 36 . 1 . 1 12 12 THR CA C 13 67.923 0.000 . 1 . . . . . 12 THR CA . 52514 1 37 . 1 . 1 12 12 THR N N 15 115.565 0.017 . 1 . . . . . 12 THR N . 52514 1 38 . 1 . 1 13 13 PHE H H 1 8.150 0.001 . 1 . . . . . 13 PHE H . 52514 1 39 . 1 . 1 13 13 PHE C C 13 176.805 0.010 . 1 . . . . . 13 PHE C . 52514 1 40 . 1 . 1 13 13 PHE CA C 13 61.164 0.037 . 1 . . . . . 13 PHE CA . 52514 1 41 . 1 . 1 13 13 PHE CB C 13 38.924 0.022 . 1 . . . . . 13 PHE CB . 52514 1 42 . 1 . 1 13 13 PHE N N 15 119.439 0.029 . 1 . . . . . 13 PHE N . 52514 1 43 . 1 . 1 14 14 LEU H H 1 8.108 0.002 . 1 . . . . . 14 LEU H . 52514 1 44 . 1 . 1 14 14 LEU C C 13 178.189 0.011 . 1 . . . . . 14 LEU C . 52514 1 45 . 1 . 1 14 14 LEU CA C 13 58.327 0.033 . 1 . . . . . 14 LEU CA . 52514 1 46 . 1 . 1 14 14 LEU CB C 13 41.666 0.085 . 1 . . . . . 14 LEU CB . 52514 1 47 . 1 . 1 14 14 LEU N N 15 118.035 0.020 . 1 . . . . . 14 LEU N . 52514 1 48 . 1 . 1 15 15 LEU H H 1 8.230 0.002 . 1 . . . . . 15 LEU H . 52514 1 49 . 1 . 1 15 15 LEU C C 13 178.265 0.053 . 1 . . . . . 15 LEU C . 52514 1 50 . 1 . 1 15 15 LEU CA C 13 58.316 0.083 . 1 . . . . . 15 LEU CA . 52514 1 51 . 1 . 1 15 15 LEU CB C 13 41.597 0.065 . 1 . . . . . 15 LEU CB . 52514 1 52 . 1 . 1 15 15 LEU N N 15 117.763 0.019 . 1 . . . . . 15 LEU N . 52514 1 53 . 1 . 1 16 16 LEU H H 1 8.072 0.001 . 1 . . . . . 16 LEU H . 52514 1 54 . 1 . 1 16 16 LEU C C 13 178.334 0.009 . 1 . . . . . 16 LEU C . 52514 1 55 . 1 . 1 16 16 LEU CA C 13 58.421 0.092 . 1 . . . . . 16 LEU CA . 52514 1 56 . 1 . 1 16 16 LEU CB C 13 41.593 0.000 . 1 . . . . . 16 LEU CB . 52514 1 57 . 1 . 1 16 16 LEU N N 15 118.322 0.019 . 1 . . . . . 16 LEU N . 52514 1 58 . 1 . 1 17 17 ILE H H 1 8.033 0.002 . 1 . . . . . 17 ILE H . 52514 1 59 . 1 . 1 17 17 ILE C C 13 177.597 0.003 . 1 . . . . . 17 ILE C . 52514 1 60 . 1 . 1 17 17 ILE CA C 13 64.969 0.039 . 1 . . . . . 17 ILE CA . 52514 1 61 . 1 . 1 17 17 ILE CB C 13 37.128 0.087 . 1 . . . . . 17 ILE CB . 52514 1 62 . 1 . 1 17 17 ILE N N 15 117.859 0.024 . 1 . . . . . 17 ILE N . 52514 1 63 . 1 . 1 18 18 LEU H H 1 8.251 0.002 . 1 . . . . . 18 LEU H . 52514 1 64 . 1 . 1 18 18 LEU C C 13 178.419 0.006 . 1 . . . . . 18 LEU C . 52514 1 65 . 1 . 1 18 18 LEU CA C 13 58.538 0.000 . 1 . . . . . 18 LEU CA . 52514 1 66 . 1 . 1 18 18 LEU CB C 13 41.631 0.018 . 1 . . . . . 18 LEU CB . 52514 1 67 . 1 . 1 18 18 LEU N N 15 119.439 0.038 . 1 . . . . . 18 LEU N . 52514 1 68 . 1 . 1 19 19 LEU H H 1 8.490 0.002 . 1 . . . . . 19 LEU H . 52514 1 69 . 1 . 1 19 19 LEU C C 13 178.093 0.005 . 1 . . . . . 19 LEU C . 52514 1 70 . 1 . 1 19 19 LEU CA C 13 58.377 0.000 . 1 . . . . . 19 LEU CA . 52514 1 71 . 1 . 1 19 19 LEU N N 15 118.366 0.013 . 1 . . . . . 19 LEU N . 52514 1 72 . 1 . 1 20 20 TYR H H 1 8.464 0.002 . 1 . . . . . 20 TYR H . 52514 1 73 . 1 . 1 20 20 TYR C C 13 178.838 0.000 . 1 . . . . . 20 TYR C . 52514 1 74 . 1 . 1 20 20 TYR CA C 13 61.923 0.000 . 1 . . . . . 20 TYR CA . 52514 1 75 . 1 . 1 20 20 TYR N N 15 118.793 0.078 . 1 . . . . . 20 TYR N . 52514 1 76 . 1 . 1 21 21 LEU H H 1 8.618 0.003 . 1 . . . . . 21 LEU H . 52514 1 77 . 1 . 1 21 21 LEU C C 13 177.893 0.019 . 1 . . . . . 21 LEU C . 52514 1 78 . 1 . 1 21 21 LEU CA C 13 58.510 0.000 . 1 . . . . . 21 LEU CA . 52514 1 79 . 1 . 1 21 21 LEU CB C 13 41.678 0.000 . 1 . . . . . 21 LEU CB . 52514 1 80 . 1 . 1 21 21 LEU N N 15 121.167 0.019 . 1 . . . . . 21 LEU N . 52514 1 81 . 1 . 1 22 22 ILE H H 1 8.441 0.015 . 1 . . . . . 22 ILE H . 52514 1 82 . 1 . 1 22 22 ILE C C 13 177.309 0.007 . 1 . . . . . 22 ILE C . 52514 1 83 . 1 . 1 22 22 ILE CA C 13 65.690 0.031 . 1 . . . . . 22 ILE CA . 52514 1 84 . 1 . 1 22 22 ILE CB C 13 12.099 0.000 . 1 . . . . . 22 ILE CB . 52514 1 85 . 1 . 1 22 22 ILE N N 15 118.484 0.269 . 1 . . . . . 22 ILE N . 52514 1 86 . 1 . 1 23 23 ILE H H 1 8.411 0.001 . 1 . . . . . 23 ILE H . 52514 1 87 . 1 . 1 23 23 ILE C C 13 177.144 0.004 . 1 . . . . . 23 ILE C . 52514 1 88 . 1 . 1 23 23 ILE CA C 13 65.657 0.008 . 1 . . . . . 23 ILE CA . 52514 1 89 . 1 . 1 23 23 ILE CB C 13 37.581 0.066 . 1 . . . . . 23 ILE CB . 52514 1 90 . 1 . 1 23 23 ILE N N 15 118.631 0.015 . 1 . . . . . 23 ILE N . 52514 1 91 . 1 . 1 24 24 THR H H 1 8.045 0.004 . 1 . . . . . 24 THR H . 52514 1 92 . 1 . 1 24 24 THR C C 13 175.905 0.000 . 1 . . . . . 24 THR C . 52514 1 93 . 1 . 1 24 24 THR CA C 13 68.218 0.000 . 1 . . . . . 24 THR CA . 52514 1 94 . 1 . 1 24 24 THR N N 15 115.745 0.047 . 1 . . . . . 24 THR N . 52514 1 95 . 1 . 1 25 25 LEU H H 1 8.208 0.001 . 1 . . . . . 25 LEU H . 52514 1 96 . 1 . 1 25 25 LEU C C 13 177.856 0.005 . 1 . . . . . 25 LEU C . 52514 1 97 . 1 . 1 25 25 LEU CA C 13 58.493 0.003 . 1 . . . . . 25 LEU CA . 52514 1 98 . 1 . 1 25 25 LEU CB C 13 41.954 0.038 . 1 . . . . . 25 LEU CB . 52514 1 99 . 1 . 1 25 25 LEU N N 15 120.567 0.013 . 1 . . . . . 25 LEU N . 52514 1 100 . 1 . 1 26 26 TYR H H 1 8.406 0.002 . 1 . . . . . 26 TYR H . 52514 1 101 . 1 . 1 26 26 TYR C C 13 176.946 0.002 . 1 . . . . . 26 TYR C . 52514 1 102 . 1 . 1 26 26 TYR CA C 13 62.269 0.006 . 1 . . . . . 26 TYR CA . 52514 1 103 . 1 . 1 26 26 TYR CB C 13 38.722 0.024 . 1 . . . . . 26 TYR CB . 52514 1 104 . 1 . 1 26 26 TYR N N 15 118.745 0.044 . 1 . . . . . 26 TYR N . 52514 1 105 . 1 . 1 27 27 VAL H H 1 8.509 0.002 . 1 . . . . . 27 VAL H . 52514 1 106 . 1 . 1 27 27 VAL C C 13 176.955 0.006 . 1 . . . . . 27 VAL C . 52514 1 107 . 1 . 1 27 27 VAL CA C 13 67.119 0.025 . 1 . . . . . 27 VAL CA . 52514 1 108 . 1 . 1 27 27 VAL CB C 13 31.348 0.055 . 1 . . . . . 27 VAL CB . 52514 1 109 . 1 . 1 27 27 VAL N N 15 117.383 0.017 . 1 . . . . . 27 VAL N . 52514 1 110 . 1 . 1 28 28 TRP H H 1 8.522 0.002 . 1 . . . . . 28 TRP H . 52514 1 111 . 1 . 1 28 28 TRP HA H 1 4.213 0.000 . 1 . . . . . 28 TRP HA . 52514 1 112 . 1 . 1 28 28 TRP C C 13 179.067 0.005 . 1 . . . . . 28 TRP C . 52514 1 113 . 1 . 1 28 28 TRP CA C 13 61.373 0.021 . 1 . . . . . 28 TRP CA . 52514 1 114 . 1 . 1 28 28 TRP CB C 13 29.026 0.057 . 1 . . . . . 28 TRP CB . 52514 1 115 . 1 . 1 28 28 TRP N N 15 119.499 0.046 . 1 . . . . . 28 TRP N . 52514 1 116 . 1 . 1 29 29 ILE H H 1 8.566 0.004 . 1 . . . . . 29 ILE H . 52514 1 117 . 1 . 1 29 29 ILE HA H 1 3.417 0.000 . 1 . . . . . 29 ILE HA . 52514 1 118 . 1 . 1 29 29 ILE HB H 1 2.066 0.000 . 1 . . . . . 29 ILE HB . 52514 1 119 . 1 . 1 29 29 ILE C C 13 177.846 0.007 . 1 . . . . . 29 ILE C . 52514 1 120 . 1 . 1 29 29 ILE CA C 13 65.557 0.026 . 1 . . . . . 29 ILE CA . 52514 1 121 . 1 . 1 29 29 ILE CB C 13 37.677 0.057 . 1 . . . . . 29 ILE CB . 52514 1 122 . 1 . 1 29 29 ILE N N 15 119.601 0.034 . 1 . . . . . 29 ILE N . 52514 1 123 . 1 . 1 30 30 ILE H H 1 8.152 0.002 . 1 . . . . . 30 ILE H . 52514 1 124 . 1 . 1 30 30 ILE HA H 1 3.771 0.000 . 1 . . . . . 30 ILE HA . 52514 1 125 . 1 . 1 30 30 ILE C C 13 178.676 0.003 . 1 . . . . . 30 ILE C . 52514 1 126 . 1 . 1 30 30 ILE CA C 13 64.031 0.009 . 1 . . . . . 30 ILE CA . 52514 1 127 . 1 . 1 30 30 ILE CB C 13 36.933 0.050 . 1 . . . . . 30 ILE CB . 52514 1 128 . 1 . 1 30 30 ILE N N 15 118.393 0.033 . 1 . . . . . 30 ILE N . 52514 1 129 . 1 . 1 31 31 LEU H H 1 8.209 0.001 . 1 . . . . . 31 LEU H . 52514 1 130 . 1 . 1 31 31 LEU HA H 1 4.159 0.000 . 1 . . . . . 31 LEU HA . 52514 1 131 . 1 . 1 31 31 LEU C C 13 178.446 0.001 . 1 . . . . . 31 LEU C . 52514 1 132 . 1 . 1 31 31 LEU CA C 13 56.987 0.000 . 1 . . . . . 31 LEU CA . 52514 1 133 . 1 . 1 31 31 LEU CB C 13 42.315 0.000 . 1 . . . . . 31 LEU CB . 52514 1 134 . 1 . 1 31 31 LEU N N 15 118.520 0.040 . 1 . . . . . 31 LEU N . 52514 1 135 . 1 . 1 32 32 THR H H 1 7.669 0.002 . 1 . . . . . 32 THR H . 52514 1 136 . 1 . 1 32 32 THR C C 13 175.461 0.000 . 1 . . . . . 32 THR C . 52514 1 137 . 1 . 1 32 32 THR CA C 13 64.581 0.012 . 1 . . . . . 32 THR CA . 52514 1 138 . 1 . 1 32 32 THR CB C 13 69.603 0.000 . 1 . . . . . 32 THR CB . 52514 1 139 . 1 . 1 32 32 THR N N 15 111.523 0.031 . 1 . . . . . 32 THR N . 52514 1 140 . 1 . 1 33 33 VAL H H 1 7.860 0.002 . 1 . . . . . 33 VAL H . 52514 1 141 . 1 . 1 33 33 VAL HA H 1 4.162 0.000 . 1 . . . . . 33 VAL HA . 52514 1 142 . 1 . 1 33 33 VAL HB H 1 2.219 0.000 . 1 . . . . . 33 VAL HB . 52514 1 143 . 1 . 1 33 33 VAL HG11 H 1 0.887 0.000 . 1 . . . . . 33 VAL HG11 . 52514 1 144 . 1 . 1 33 33 VAL HG12 H 1 0.887 0.000 . 1 . . . . . 33 VAL HG12 . 52514 1 145 . 1 . 1 33 33 VAL HG13 H 1 0.887 0.000 . 1 . . . . . 33 VAL HG13 . 52514 1 146 . 1 . 1 33 33 VAL C C 13 175.862 0.006 . 1 . . . . . 33 VAL C . 52514 1 147 . 1 . 1 33 33 VAL CA C 13 62.982 0.005 . 1 . . . . . 33 VAL CA . 52514 1 148 . 1 . 1 33 33 VAL CB C 13 32.104 0.029 . 1 . . . . . 33 VAL CB . 52514 1 149 . 1 . 1 33 33 VAL N N 15 118.688 0.058 . 1 . . . . . 33 VAL N . 52514 1 150 . 1 . 1 34 34 THR H H 1 7.687 0.002 . 1 . . . . . 34 THR H . 52514 1 151 . 1 . 1 34 34 THR HA H 1 4.289 0.000 . 1 . . . . . 34 THR HA . 52514 1 152 . 1 . 1 34 34 THR HB H 1 4.126 0.000 . 1 . . . . . 34 THR HB . 52514 1 153 . 1 . 1 34 34 THR HG21 H 1 1.090 0.000 . 1 . . . . . 34 THR HG21 . 52514 1 154 . 1 . 1 34 34 THR HG22 H 1 1.090 0.000 . 1 . . . . . 34 THR HG22 . 52514 1 155 . 1 . 1 34 34 THR HG23 H 1 1.090 0.000 . 1 . . . . . 34 THR HG23 . 52514 1 156 . 1 . 1 34 34 THR C C 13 173.218 0.008 . 1 . . . . . 34 THR C . 52514 1 157 . 1 . 1 34 34 THR CA C 13 62.335 0.013 . 1 . . . . . 34 THR CA . 52514 1 158 . 1 . 1 34 34 THR CB C 13 70.032 0.006 . 1 . . . . . 34 THR CB . 52514 1 159 . 1 . 1 34 34 THR N N 15 115.512 0.043 . 1 . . . . . 34 THR N . 52514 1 160 . 1 . 1 35 35 TYR H H 1 7.533 0.002 . 1 . . . . . 35 TYR H . 52514 1 161 . 1 . 1 35 35 TYR HA H 1 4.363 0.000 . 1 . . . . . 35 TYR HA . 52514 1 162 . 1 . 1 35 35 TYR HB2 H 1 2.906 0.000 . 2 . . . . . 35 TYR HB2 . 52514 1 163 . 1 . 1 35 35 TYR HB3 H 1 3.046 0.000 . 2 . . . . . 35 TYR HB3 . 52514 1 164 . 1 . 1 35 35 TYR C C 13 180.168 0.000 . 1 . . . . . 35 TYR C . 52514 1 165 . 1 . 1 35 35 TYR CA C 13 59.622 0.000 . 1 . . . . . 35 TYR CA . 52514 1 166 . 1 . 1 35 35 TYR CB C 13 39.640 0.000 . 1 . . . . . 35 TYR CB . 52514 1 167 . 1 . 1 35 35 TYR N N 15 127.310 0.051 . 1 . . . . . 35 TYR N . 52514 1 stop_ save_