################################### # 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 31198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 15N-13C specCP' . . . 31198 1 2 '2D 13C-13C CORD' . . . 31198 1 3 '3D NCaCx' . . . 31198 1 4 '3D NCoCx' . . . 31198 1 5 '3D CoNCa' . . . 31198 1 6 '2D hNhhC' . . . 31198 1 7 CODEX . . . 31198 1 8 '2D HETCOR' . . . 31198 1 9 '2D NC resolved NH DIPSHIFT' . . . 31198 1 10 '2D CC CORD 300 ms' . . . 31198 1 11 '3D CCC' . . . 31198 1 12 '2D hNhhC' . . . 31198 1 13 '2D CC CORD 300 ms' . . . 31198 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 CA C 13 60.652 0.079 . 1 . . . . A 3 PRO CA . 31198 1 2 . 1 . 1 3 3 PRO CB C 13 29.176 0.215 . 1 . . . . A 3 PRO CB . 31198 1 3 . 1 . 1 3 3 PRO CG C 13 25.090 0.157 . 1 . . . . A 3 PRO CG . 31198 1 4 . 1 . 1 3 3 PRO CD C 13 52.173 0.013 . 1 . . . . A 3 PRO CD . 31198 1 5 . 1 . 1 7 7 GLU C C 13 175.35 0.021 . 1 . . . . A 7 GLU C . 31198 1 6 . 1 . 1 7 7 GLU CA C 13 53.495 0.110 . 1 . . . . A 7 GLU CA . 31198 1 7 . 1 . 1 7 7 GLU CB C 13 28.632 0.231 . 1 . . . . A 7 GLU CB . 31198 1 8 . 1 . 1 7 7 GLU CG C 13 35.717 0.737 . 1 . . . . A 7 GLU CG . 31198 1 9 . 1 . 1 7 7 GLU CD C 13 177.89 0.121 . 1 . . . . A 7 GLU CD . 31198 1 10 . 1 . 1 7 7 GLU N N 15 125.52 0.097 . 1 . . . . A 7 GLU N . 31198 1 11 . 1 . 1 8 8 ARG C C 13 176.37 0.029 . 1 . . . . A 8 ARG C . 31198 1 12 . 1 . 1 8 8 ARG CA C 13 56.112 0.115 . 1 . . . . A 8 ARG CA . 31198 1 13 . 1 . 1 8 8 ARG CB C 13 29.077 0.248 . 1 . . . . A 8 ARG CB . 31198 1 14 . 1 . 1 8 8 ARG CG C 13 24.793 0.277 . 1 . . . . A 8 ARG CG . 31198 1 15 . 1 . 1 8 8 ARG CD C 13 39.539 0.087 . 1 . . . . A 8 ARG CD . 31198 1 16 . 1 . 1 8 8 ARG CZ C 13 173.11 0.034 . 1 . . . . A 8 ARG CZ . 31198 1 17 . 1 . 1 8 8 ARG N N 15 119.91 0.108 . 1 . . . . A 8 ARG N . 31198 1 18 . 1 . 1 9 9 ILE C C 13 174.87 0.098 . 1 . . . . A 9 ILE C . 31198 1 19 . 1 . 1 9 9 ILE CA C 13 59.398 0.162 . 1 . . . . A 9 ILE CA . 31198 1 20 . 1 . 1 9 9 ILE CB C 13 36.485 0.081 . 1 . . . . A 9 ILE CB . 31198 1 21 . 1 . 1 9 9 ILE CG1 C 13 28.046 0.179 . 1 . . . . A 9 ILE CG1 . 31198 1 22 . 1 . 1 9 9 ILE CG2 C 13 16.005 0.140 . 1 . . . . A 9 ILE CG2 . 31198 1 23 . 1 . 1 9 9 ILE CD1 C 13 12.286 0.148 . 1 . . . . A 9 ILE CD1 . 31198 1 24 . 1 . 1 9 9 ILE N N 15 117.97 0.155 . 1 . . . . A 9 ILE N . 31198 1 25 . 1 . 1 10 10 GLY C C 13 172.79 0.292 . 1 . . . . A 10 GLY C . 31198 1 26 . 1 . 1 10 10 GLY CA C 13 45.592 0.080 . 1 . . . . A 10 GLY CA . 31198 1 27 . 1 . 1 10 10 GLY N N 15 107.51 0.035 . 1 . . . . A 10 GLY N . 31198 1 28 . 1 . 1 11 11 LEU C C 13 175.88 0.2 . 1 . . . . A 11 LEU C . 31198 1 29 . 1 . 1 11 11 LEU CA C 13 55.997 0.133 . 1 . . . . A 11 LEU CA . 31198 1 30 . 1 . 1 11 11 LEU CB C 13 40.378 0.066 . 1 . . . . A 11 LEU CB . 31198 1 31 . 1 . 1 11 11 LEU CG C 13 24.255 0.106 . 1 . . . . A 11 LEU CG . 31198 1 32 . 1 . 1 11 11 LEU CD1 C 13 21.973 0.103 . 1 . . . . A 11 LEU CD1 . 31198 1 33 . 1 . 1 11 11 LEU CD2 C 13 20.281 0.106 . 1 . . . . A 11 LEU CD2 . 31198 1 34 . 1 . 1 11 11 LEU N N 15 120.16 0.107 . 1 . . . . A 11 LEU N . 31198 1 35 . 1 . 1 13 13 ILE C C 13 175.87 0.034 . 1 . . . . A 13 ILE C . 31198 1 36 . 1 . 1 13 13 ILE CA C 13 60.527 0.099 . 1 . . . . A 13 ILE CA . 31198 1 37 . 1 . 1 13 13 ILE CB C 13 36.785 0.147 . 1 . . . . A 13 ILE CB . 31198 1 38 . 1 . 1 13 13 ILE CG1 C 13 28.388 0.063 . 1 . . . . A 13 ILE CG1 . 31198 1 39 . 1 . 1 13 13 ILE CG2 C 13 16.111 0.171 . 1 . . . . A 13 ILE CG2 . 31198 1 40 . 1 . 1 13 13 ILE CD1 C 13 12.224 0.117 . 1 . . . . A 13 ILE CD1 . 31198 1 41 . 1 . 1 13 13 ILE N N 15 117.78 0.161 . 1 . . . . A 13 ILE N . 31198 1 42 . 1 . 1 14 14 VAL C C 13 175.09 0.039 . 1 . . . . A 14 VAL C . 31198 1 43 . 1 . 1 14 14 VAL CA C 13 62.599 0.130 . 1 . . . . A 14 VAL CA . 31198 1 44 . 1 . 1 14 14 VAL CB C 13 28.685 0.075 . 1 . . . . A 14 VAL CB . 31198 1 45 . 1 . 1 14 14 VAL CG1 C 13 20.617 0.101 . 1 . . . . A 14 VAL CG1 . 31198 1 46 . 1 . 1 14 14 VAL CG2 C 13 21.744 0.072 . 1 . . . . A 14 VAL CG2 . 31198 1 47 . 1 . 1 14 14 VAL N N 15 120.14 0.075 . 1 . . . . A 14 VAL N . 31198 1 48 . 1 . 1 15 15 ASN C C 13 175.84 0.001 . 1 . . . . A 15 ASN C . 31198 1 49 . 1 . 1 15 15 ASN CA C 13 53.678 0.432 . 1 . . . . A 15 ASN CA . 31198 1 50 . 1 . 1 15 15 ASN CB C 13 36.202 0.385 . 1 . . . . A 15 ASN CB . 31198 1 51 . 1 . 1 15 15 ASN CG C 13 169.61 0.124 . 1 . . . . A 15 ASN CG . 31198 1 52 . 1 . 1 15 15 ASN N N 15 119.10 0.031 . 1 . . . . A 15 ASN N . 31198 1 53 . 1 . 1 16 16 PHE C C 13 175.99 0.027 . 1 . . . . A 16 PHE C . 31198 1 54 . 1 . 1 16 16 PHE CA C 13 60.048 0.156 . 1 . . . . A 16 PHE CA . 31198 1 55 . 1 . 1 16 16 PHE CB C 13 36.601 0.126 . 1 . . . . A 16 PHE CB . 31198 1 56 . 1 . 1 16 16 PHE CG C 13 137.89 0.042 . 1 . . . . A 16 PHE CG . 31198 1 57 . 1 . 1 16 16 PHE CD1 C 13 128.94 0.151 . 3 . . . . A 16 PHE CD1 . 31198 1 58 . 1 . 1 16 16 PHE CZ C 13 127.02 0.035 . 1 . . . . A 16 PHE CZ . 31198 1 59 . 1 . 1 16 16 PHE N N 15 122.07 0.103 . 1 . . . . A 16 PHE N . 31198 1 60 . 1 . 1 17 17 PHE C C 13 174.01 0.032 . 1 . . . . A 17 PHE C . 31198 1 61 . 1 . 1 17 17 PHE CA C 13 58.504 0.135 . 1 . . . . A 17 PHE CA . 31198 1 62 . 1 . 1 17 17 PHE CB C 13 36.530 0.131 . 1 . . . . A 17 PHE CB . 31198 1 63 . 1 . 1 17 17 PHE CG C 13 137.16 0.020 . 1 . . . . A 17 PHE CG . 31198 1 64 . 1 . 1 17 17 PHE CD1 C 13 128.97 0.134 . 3 . . . . A 17 PHE CD1 . 31198 1 65 . 1 . 1 17 17 PHE CZ C 13 126.19 0.189 . 1 . . . . A 17 PHE CZ . 31198 1 66 . 1 . 1 17 17 PHE N N 15 121.22 0.056 . 1 . . . . A 17 PHE N . 31198 1 67 . 1 . 1 18 18 ILE C C 13 175.41 0.027 . 1 . . . . A 18 ILE C . 31198 1 68 . 1 . 1 18 18 ILE CA C 13 65.309 0.123 . 1 . . . . A 18 ILE CA . 31198 1 69 . 1 . 1 18 18 ILE CB C 13 36.371 0.060 . 1 . . . . A 18 ILE CB . 31198 1 70 . 1 . 1 18 18 ILE CG1 C 13 28.315 0.076 . 1 . . . . A 18 ILE CG1 . 31198 1 71 . 1 . 1 18 18 ILE CG2 C 13 16.113 0.158 . 1 . . . . A 18 ILE CG2 . 31198 1 72 . 1 . 1 18 18 ILE CD1 C 13 12.174 0.055 . 1 . . . . A 18 ILE CD1 . 31198 1 73 . 1 . 1 18 18 ILE N N 15 117.97 0.087 . 1 . . . . A 18 ILE N . 31198 1 74 . 1 . 1 19 19 PHE C C 13 174.46 0.076 . 1 . . . . A 19 PHE C . 31198 1 75 . 1 . 1 19 19 PHE CA C 13 60.035 0.107 . 1 . . . . A 19 PHE CA . 31198 1 76 . 1 . 1 19 19 PHE CB C 13 36.556 0.120 . 1 . . . . A 19 PHE CB . 31198 1 77 . 1 . 1 19 19 PHE CG C 13 136.34 0.274 . 1 . . . . A 19 PHE CG . 31198 1 78 . 1 . 1 19 19 PHE CD1 C 13 129.02 0.140 . 3 . . . . A 19 PHE CD1 . 31198 1 79 . 1 . 1 19 19 PHE CZ C 13 126.13 0.043 . 1 . . . . A 19 PHE CZ . 31198 1 80 . 1 . 1 19 19 PHE N N 15 117.98 0.067 . 1 . . . . A 19 PHE N . 31198 1 81 . 1 . 1 20 20 THR C C 13 175.13 0.020 . 1 . . . . A 20 THR C . 31198 1 82 . 1 . 1 20 20 THR CA C 13 64.539 0.107 . 1 . . . . A 20 THR CA . 31198 1 83 . 1 . 1 20 20 THR CB C 13 60.429 0.094 . 1 . . . . A 20 THR CB . 31198 1 84 . 1 . 1 20 20 THR CG2 C 13 15.990 0.093 . 1 . . . . A 20 THR CG2 . 31198 1 85 . 1 . 1 20 20 THR N N 15 117.97 0.048 . 1 . . . . A 20 THR N . 31198 1 86 . 1 . 1 21 21 VAL C C 13 175.69 0.009 . 1 . . . . A 21 VAL C . 31198 1 87 . 1 . 1 21 21 VAL CA C 13 65.515 0.076 . 1 . . . . A 21 VAL CA . 31198 1 88 . 1 . 1 21 21 VAL CB C 13 28.972 0.058 . 1 . . . . A 21 VAL CB . 31198 1 89 . 1 . 1 21 21 VAL CG1 C 13 21.010 0.416 . 2 . . . . A 21 VAL CG1 . 31198 1 90 . 1 . 1 21 21 VAL N N 15 118.98 0.086 . 1 . . . . A 21 VAL N . 31198 1 91 . 1 . 1 22 22 VAL C C 13 178.03 0.026 . 1 . . . . A 22 VAL C . 31198 1 92 . 1 . 1 22 22 VAL CA C 13 65.426 0.083 . 1 . . . . A 22 VAL CA . 31198 1 93 . 1 . 1 22 22 VAL CB C 13 28.849 0.111 . 1 . . . . A 22 VAL CB . 31198 1 94 . 1 . 1 22 22 VAL CG1 C 13 20.431 0.056 . 2 . . . . A 22 VAL CG1 . 31198 1 95 . 1 . 1 22 22 VAL N N 15 121.40 0.116 . 1 . . . . A 22 VAL N . 31198 1 96 . 1 . 1 23 23 SER C C 13 172.95 0.174 . 1 . . . . A 23 SER C . 31198 1 97 . 1 . 1 23 23 SER CA C 13 62.328 0.073 . 1 . . . . A 23 SER CA . 31198 1 98 . 1 . 1 23 23 SER CB C 13 60.619 0.064 . 1 . . . . A 23 SER CB . 31198 1 99 . 1 . 1 23 23 SER N N 15 119.93 0.152 . 1 . . . . A 23 SER N . 31198 1 100 . 1 . 1 24 24 ALA C C 13 177.75 0.2 . 1 . . . . A 24 ALA C . 31198 1 101 . 1 . 1 24 24 ALA CA C 13 53.515 0.412 . 1 . . . . A 24 ALA CA . 31198 1 102 . 1 . 1 24 24 ALA CB C 13 16.431 0.116 . 1 . . . . A 24 ALA CB . 31198 1 103 . 1 . 1 24 24 ALA N N 15 125.45 0.054 . 1 . . . . A 24 ALA N . 31198 1 104 . 1 . 1 25 25 ILE C C 13 175.41 0.2 . 1 . . . . A 25 ILE C . 31198 1 105 . 1 . 1 25 25 ILE CA C 13 64.521 0.040 . 1 . . . . A 25 ILE CA . 31198 1 106 . 1 . 1 25 25 ILE CB C 13 36.417 0.058 . 1 . . . . A 25 ILE CB . 31198 1 107 . 1 . 1 25 25 ILE CG1 C 13 28.405 0.128 . 1 . . . . A 25 ILE CG1 . 31198 1 108 . 1 . 1 25 25 ILE CG2 C 13 14.784 0.108 . 1 . . . . A 25 ILE CG2 . 31198 1 109 . 1 . 1 25 25 ILE CD1 C 13 12.243 0.115 . 1 . . . . A 25 ILE CD1 . 31198 1 110 . 1 . 1 25 25 ILE N N 15 117.57 0.054 . 1 . . . . A 25 ILE N . 31198 1 111 . 1 . 1 26 26 THR C C 13 175.94 0.2 . 1 . . . . A 26 THR C . 31198 1 112 . 1 . 1 26 26 THR CA C 13 60.596 0.099 . 1 . . . . A 26 THR CA . 31198 1 113 . 1 . 1 26 26 THR CB C 13 64.490 0.155 . 1 . . . . A 26 THR CB . 31198 1 114 . 1 . 1 26 26 THR CG2 C 13 21.837 0.080 . 1 . . . . A 26 THR CG2 . 31198 1 115 . 1 . 1 26 26 THR N N 15 114.75 0.079 . 1 . . . . A 26 THR N . 31198 1 116 . 1 . 1 27 27 LEU C C 13 176.62 0.656 . 1 . . . . A 27 LEU C . 31198 1 117 . 1 . 1 27 27 LEU CA C 13 56.220 0.108 . 1 . . . . A 27 LEU CA . 31198 1 118 . 1 . 1 27 27 LEU CB C 13 39.462 0.289 . 1 . . . . A 27 LEU CB . 31198 1 119 . 1 . 1 27 27 LEU CG C 13 22.895 0.094 . 1 . . . . A 27 LEU CG . 31198 1 120 . 1 . 1 27 27 LEU N N 15 123.18 0.218 . 1 . . . . A 27 LEU N . 31198 1 121 . 1 . 1 28 28 LEU C C 13 176.42 0.2 . 1 . . . . A 28 LEU C . 31198 1 122 . 1 . 1 28 28 LEU CA C 13 56.047 0.102 . 1 . . . . A 28 LEU CA . 31198 1 123 . 1 . 1 28 28 LEU CB C 13 39.485 0.103 . 1 . . . . A 28 LEU CB . 31198 1 124 . 1 . 1 28 28 LEU CG C 13 24.418 0.104 . 1 . . . . A 28 LEU CG . 31198 1 125 . 1 . 1 28 28 LEU CD1 C 13 21.557 0.106 . 2 . . . . A 28 LEU CD1 . 31198 1 126 . 1 . 1 28 28 LEU N N 15 120.25 0.038 . 1 . . . . A 28 LEU N . 31198 1 127 . 1 . 1 29 29 VAL C C 13 177.46 0.032 . 1 . . . . A 29 VAL C . 31198 1 128 . 1 . 1 29 29 VAL CA C 13 65.534 0.091 . 1 . . . . A 29 VAL CA . 31198 1 129 . 1 . 1 29 29 VAL CB C 13 28.711 0.060 . 1 . . . . A 29 VAL CB . 31198 1 130 . 1 . 1 29 29 VAL CG1 C 13 20.882 0.272 . 2 . . . . A 29 VAL CG1 . 31198 1 131 . 1 . 1 29 29 VAL N N 15 120.22 0.092 . 1 . . . . A 29 VAL N . 31198 1 132 . 1 . 1 30 30 SER C C 13 178.12 0.051 . 1 . . . . A 30 SER C . 31198 1 133 . 1 . 1 30 30 SER CA C 13 62.419 0.076 . 1 . . . . A 30 SER CA . 31198 1 134 . 1 . 1 30 30 SER CB C 13 64.649 0.742 . 1 . . . . A 30 SER CB . 31198 1 135 . 1 . 1 30 30 SER N N 15 120.24 0.063 . 1 . . . . A 30 SER N . 31198 1 136 . 1 . 1 31 31 MET C C 13 175.25 0.014 . 1 . . . . A 31 MET C . 31198 1 137 . 1 . 1 31 31 MET CA C 13 56.298 0.129 . 1 . . . . A 31 MET CA . 31198 1 138 . 1 . 1 31 31 MET CB C 13 28.708 0.047 . 1 . . . . A 31 MET CB . 31198 1 139 . 1 . 1 31 31 MET CE C 13 16.165 0.078 . 1 . . . . A 31 MET CE . 31198 1 140 . 1 . 1 31 31 MET N N 15 119.13 0.123 . 1 . . . . A 31 MET N . 31198 1 141 . 1 . 1 32 32 ALA C C 13 175.88 0.023 . 1 . . . . A 32 ALA C . 31198 1 142 . 1 . 1 32 32 ALA CA C 13 52.700 0.062 . 1 . . . . A 32 ALA CA . 31198 1 143 . 1 . 1 32 32 ALA CB C 13 15.752 0.080 . 1 . . . . A 32 ALA CB . 31198 1 144 . 1 . 1 32 32 ALA N N 15 123.62 0.162 . 1 . . . . A 32 ALA N . 31198 1 145 . 1 . 1 33 33 PHE C C 13 174.80 0.037 . 1 . . . . A 33 PHE C . 31198 1 146 . 1 . 1 33 33 PHE CA C 13 58.981 0.071 . 1 . . . . A 33 PHE CA . 31198 1 147 . 1 . 1 33 33 PHE CB C 13 36.989 0.083 . 1 . . . . A 33 PHE CB . 31198 1 148 . 1 . 1 33 33 PHE CG C 13 135.92 0.142 . 1 . . . . A 33 PHE CG . 31198 1 149 . 1 . 1 33 33 PHE CD1 C 13 128.98 0.053 . 3 . . . . A 33 PHE CD1 . 31198 1 150 . 1 . 1 33 33 PHE CE1 C 13 128.04 0.057 . 3 . . . . A 33 PHE CE1 . 31198 1 151 . 1 . 1 33 33 PHE N N 15 118.49 0.080 . 1 . . . . A 33 PHE N . 31198 1 152 . 1 . 1 34 34 LEU C C 13 175.59 0.2 . 1 . . . . A 34 LEU C . 31198 1 153 . 1 . 1 34 34 LEU CA C 13 56.226 0.064 . 1 . . . . A 34 LEU CA . 31198 1 154 . 1 . 1 34 34 LEU CB C 13 36.375 0.093 . 1 . . . . A 34 LEU CB . 31198 1 155 . 1 . 1 34 34 LEU CG C 13 28.803 0.094 . 1 . . . . A 34 LEU CG . 31198 1 156 . 1 . 1 34 34 LEU CD1 C 13 20.893 0.190 . 2 . . . . A 34 LEU CD1 . 31198 1 157 . 1 . 1 34 34 LEU N N 15 120.26 0.154 . 1 . . . . A 34 LEU N . 31198 1 158 . 1 . 1 35 35 THR C C 13 175.96 0.008 . 1 . . . . A 35 THR C . 31198 1 159 . 1 . 1 35 35 THR CA C 13 64.150 0.070 . 1 . . . . A 35 THR CA . 31198 1 160 . 1 . 1 35 35 THR CB C 13 66.881 0.112 . 1 . . . . A 35 THR CB . 31198 1 161 . 1 . 1 35 35 THR CG2 C 13 20.525 0.073 . 1 . . . . A 35 THR CG2 . 31198 1 162 . 1 . 1 35 35 THR N N 15 113.53 0.112 . 1 . . . . A 35 THR N . 31198 1 163 . 1 . 1 36 36 ALA C C 13 175.42 0.2 . 1 . . . . A 36 ALA C . 31198 1 164 . 1 . 1 36 36 ALA CA C 13 51.280 0.029 . 1 . . . . A 36 ALA CA . 31198 1 165 . 1 . 1 36 36 ALA CB C 13 17.516 0.038 . 1 . . . . A 36 ALA CB . 31198 1 166 . 1 . 1 36 36 ALA N N 15 122.45 0.258 . 1 . . . . A 36 ALA N . 31198 1 167 . 1 . 1 37 37 THR CA C 13 66.287 0.084 . 1 . . . . A 37 THR CA . 31198 1 168 . 1 . 1 37 37 THR CB C 13 64.556 0.037 . 1 . . . . A 37 THR CB . 31198 1 169 . 1 . 1 37 37 THR CG2 C 13 19.584 0.089 . 1 . . . . A 37 THR CG2 . 31198 1 170 . 1 . 1 37 37 THR N N 15 116.43 0.070 . 1 . . . . A 37 THR N . 31198 1 stop_ save_