################################### # 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 27374 _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 '3D HNCO' . . . 27374 1 2 '3D HNCA' . . . 27374 1 3 '3D HNCACB' . . . 27374 1 4 '3D HN(CA)NNH' . . . 27374 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.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 1 1 TRP H H 1 8.46 0.02 . 1 . . . . . 1 TRP HN . 27374 1 2 . 1 1 1 1 TRP N N 15 121.06 0.25 . 1 . . . . . 1 TRP N . 27374 1 3 . 1 1 2 2 GLY H H 1 8.219 0.02 . 1 . . . . . 2 GLY HN . 27374 1 4 . 1 1 2 2 GLY N N 15 111.33 0.25 . 1 . . . . . 2 GLY N . 27374 1 5 . 1 1 3 3 SER H H 1 7.991 0.02 . 1 . . . . . 3 SER HN . 27374 1 6 . 1 1 3 3 SER N N 15 115.52 0.25 . 1 . . . . . 3 SER N . 27374 1 7 . 1 1 4 4 HIS C C 13 174.431 0.80 . 1 . . . . . 4 HIS C . 27374 1 8 . 1 1 4 4 HIS CA C 13 55.729 0.80 . 1 . . . . . 4 HIS CA . 27374 1 9 . 1 1 4 4 HIS CB C 13 29.06 0.80 . 1 . . . . . 4 HIS CB . 27374 1 10 . 1 1 5 5 CYS H H 1 8.126 0.02 . 1 . . . . . 5 CYS HN . 27374 1 11 . 1 1 5 5 CYS C C 13 174.338 0.80 . 1 . . . . . 5 CYS C . 27374 1 12 . 1 1 5 5 CYS CA C 13 58.404 0.80 . 1 . . . . . 5 CYS CA . 27374 1 13 . 1 1 5 5 CYS CB C 13 27.895 0.80 . 1 . . . . . 5 CYS CB . 27374 1 14 . 1 1 5 5 CYS N N 15 120.343 0.25 . 1 . . . . . 5 CYS N . 27374 1 15 . 1 1 6 6 SER H H 1 8.382 0.02 . 1 . . . . . 6 SER HN . 27374 1 16 . 1 1 6 6 SER C C 13 174.496 0.80 . 1 . . . . . 6 SER C . 27374 1 17 . 1 1 6 6 SER CA C 13 58.285 0.80 . 1 . . . . . 6 SER CA . 27374 1 18 . 1 1 6 6 SER CB C 13 63.575 0.80 . 1 . . . . . 6 SER CB . 27374 1 19 . 1 1 6 6 SER N N 15 118.567 0.25 . 1 . . . . . 6 SER N . 27374 1 20 . 1 1 7 7 SER H H 1 8.294 0.02 . 1 . . . . . 7 SER HN . 27374 1 21 . 1 1 7 7 SER C C 13 174.475 0.80 . 1 . . . . . 7 SER C . 27374 1 22 . 1 1 7 7 SER CA C 13 58.356 0.80 . 1 . . . . . 7 SER CA . 27374 1 23 . 1 1 7 7 SER CB C 13 63.472 0.80 . 1 . . . . . 7 SER CB . 27374 1 24 . 1 1 7 7 SER N N 15 117.905 0.25 . 1 . . . . . 7 SER N . 27374 1 25 . 1 1 8 8 SER H H 1 8.189 0.02 . 1 . . . . . 8 SER HN . 27374 1 26 . 1 1 8 8 SER C C 13 174.67 0.80 . 1 . . . . . 8 SER C . 27374 1 27 . 1 1 8 8 SER CA C 13 58.472 0.80 . 1 . . . . . 8 SER CA . 27374 1 28 . 1 1 8 8 SER CB C 13 63.486 0.80 . 1 . . . . . 8 SER CB . 27374 1 29 . 1 1 8 8 SER N N 15 117.441 0.25 . 1 . . . . . 8 SER N . 27374 1 30 . 1 1 9 9 GLY H H 1 8.135 0.02 . 1 . . . . . 9 GLY HN . 27374 1 31 . 1 1 9 9 GLY C C 13 173.219 0.80 . 1 . . . . . 9 GLY C . 27374 1 32 . 1 1 9 9 GLY CA C 13 44.722 0.80 . 1 . . . . . 9 GLY CA . 27374 1 33 . 1 1 9 9 GLY N N 15 110.579 0.25 . 1 . . . . . 9 GLY N . 27374 1 34 . 1 1 10 10 ASP H H 1 8.032 0.02 . 1 . . . . . 10 ASP HN . 27374 1 35 . 1 1 10 10 ASP C C 13 174.882 0.80 . 1 . . . . . 10 ASP C . 27374 1 36 . 1 1 10 10 ASP CA C 13 51.994 0.80 . 1 . . . . . 10 ASP CA . 27374 1 37 . 1 1 10 10 ASP CB C 13 40.953 0.80 . 1 . . . . . 10 ASP CB . 27374 1 38 . 1 1 10 10 ASP N N 15 121.867 0.25 . 1 . . . . . 10 ASP N . 27374 1 39 . 1 1 11 11 PRO C C 13 177.042 0.80 . 1 . . . . . 11 PRO C . 27374 1 40 . 1 1 11 11 PRO CA C 13 63.557 0.80 . 1 . . . . . 11 PRO CA . 27374 1 41 . 1 1 11 11 PRO CB C 13 32.084 0.80 . 1 . . . . . 11 PRO CB . 27374 1 42 . 1 1 12 12 ALA H H 1 8.229 0.02 . 1 . . . . . 12 ALA HN . 27374 1 43 . 1 1 12 12 ALA C C 13 178.345 0.80 . 1 . . . . . 12 ALA C . 27374 1 44 . 1 1 12 12 ALA CA C 13 53.044 0.80 . 1 . . . . . 12 ALA CA . 27374 1 45 . 1 1 12 12 ALA CB C 13 18.675 0.80 . 1 . . . . . 12 ALA CB . 27374 1 46 . 1 1 12 12 ALA N N 15 122.531 0.25 . 1 . . . . . 12 ALA N . 27374 1 47 . 1 1 13 13 GLU H H 1 7.913 0.02 . 1 . . . . . 13 GLU HN . 27374 1 48 . 1 1 13 13 GLU C C 13 176.621 0.80 . 1 . . . . . 13 GLU C . 27374 1 49 . 1 1 13 13 GLU CA C 13 56.882 0.80 . 1 . . . . . 13 GLU CA . 27374 1 50 . 1 1 13 13 GLU CB C 13 29.801 0.80 . 1 . . . . . 13 GLU CB . 27374 1 51 . 1 1 13 13 GLU N N 15 118.393 0.25 . 1 . . . . . 13 GLU N . 27374 1 52 . 1 1 14 14 TYR H H 1 7.821 0.02 . 1 . . . . . 14 TYR HN . 27374 1 53 . 1 1 14 14 TYR C C 13 176.013 0.80 . 1 . . . . . 14 TYR C . 27374 1 54 . 1 1 14 14 TYR CA C 13 58.452 0.80 . 1 . . . . . 14 TYR CA . 27374 1 55 . 1 1 14 14 TYR CB C 13 38.137 0.80 . 1 . . . . . 14 TYR CB . 27374 1 56 . 1 1 14 14 TYR N N 15 120.26 0.25 . 1 . . . . . 14 TYR N . 27374 1 57 . 1 1 15 15 ASN H H 1 8.097 0.02 . 1 . . . . . 15 ASN HN . 27374 1 58 . 1 1 15 15 ASN C C 13 175.278 0.80 . 1 . . . . . 15 ASN C . 27374 1 59 . 1 1 15 15 ASN CA C 13 53.588 0.80 . 1 . . . . . 15 ASN CA . 27374 1 60 . 1 1 15 15 ASN CB C 13 38.365 0.80 . 1 . . . . . 15 ASN CB . 27374 1 61 . 1 1 15 15 ASN N N 15 119.419 0.25 . 1 . . . . . 15 ASN N . 27374 1 62 . 1 1 16 16 LEU H H 1 7.833 0.02 . 1 . . . . . 16 LEU HN . 27374 1 63 . 1 1 16 16 LEU C C 13 177.751 0.80 . 1 . . . . . 16 LEU C . 27374 1 64 . 1 1 16 16 LEU CA C 13 55.819 0.80 . 1 . . . . . 16 LEU CA . 27374 1 65 . 1 1 16 16 LEU CB C 13 41.801 0.80 . 1 . . . . . 16 LEU CB . 27374 1 66 . 1 1 16 16 LEU N N 15 121.567 0.25 . 1 . . . . . 16 LEU N . 27374 1 67 . 1 1 17 17 ARG H H 1 7.977 0.02 . 1 . . . . . 17 ARG HN . 27374 1 68 . 1 1 17 17 ARG C C 13 176.56 0.80 . 1 . . . . . 17 ARG C . 27374 1 69 . 1 1 17 17 ARG CA C 13 56.479 0.80 . 1 . . . . . 17 ARG CA . 27374 1 70 . 1 1 17 17 ARG CB C 13 30.175 0.80 . 1 . . . . . 17 ARG CB . 27374 1 71 . 1 1 17 17 ARG N N 15 120.203 0.25 . 1 . . . . . 17 ARG N . 27374 1 72 . 1 1 18 18 SER H H 1 7.975 0.02 . 1 . . . . . 18 SER HN . 27374 1 73 . 1 1 18 18 SER C C 13 174.502 0.80 . 1 . . . . . 18 SER C . 27374 1 74 . 1 1 18 18 SER CA C 13 58.459 0.80 . 1 . . . . . 18 SER CA . 27374 1 75 . 1 1 18 18 SER CB C 13 63.231 0.80 . 1 . . . . . 18 SER CB . 27374 1 76 . 1 1 18 18 SER N N 15 115.635 0.25 . 1 . . . . . 18 SER N . 27374 1 77 . 1 1 19 19 ARG H H 1 8.073 0.02 . 1 . . . . . 19 ARG HN . 27374 1 78 . 1 1 19 19 ARG C C 13 176.314 0.80 . 1 . . . . . 19 ARG C . 27374 1 79 . 1 1 19 19 ARG CA C 13 56.229 0.80 . 1 . . . . . 19 ARG CA . 27374 1 80 . 1 1 19 19 ARG CB C 13 30.416 0.80 . 1 . . . . . 19 ARG CB . 27374 1 81 . 1 1 19 19 ARG N N 15 122.443 0.25 . 1 . . . . . 19 ARG N . 27374 1 82 . 1 1 20 20 THR H H 1 7.986 0.02 . 1 . . . . . 20 THR HN . 27374 1 83 . 1 1 20 20 THR C C 13 174.284 0.80 . 1 . . . . . 20 THR C . 27374 1 84 . 1 1 20 20 THR CA C 13 62.257 0.80 . 1 . . . . . 20 THR CA . 27374 1 85 . 1 1 20 20 THR CB C 13 69.28 0.80 . 1 . . . . . 20 THR CB . 27374 1 86 . 1 1 20 20 THR N N 15 115.69 0.25 . 1 . . . . . 20 THR N . 27374 1 87 . 1 1 21 21 VAL H H 1 8.018 0.02 . 1 . . . . . 21 VAL HN . 27374 1 88 . 1 1 21 21 VAL C C 13 175.87 0.80 . 1 . . . . . 21 VAL C . 27374 1 89 . 1 1 21 21 VAL CA C 13 62.214 0.80 . 1 . . . . . 21 VAL CA . 27374 1 90 . 1 1 21 21 VAL CB C 13 32.425 0.80 . 1 . . . . . 21 VAL CB . 27374 1 91 . 1 1 21 21 VAL N N 15 123.315 0.25 . 1 . . . . . 21 VAL N . 27374 1 92 . 1 1 22 22 LEU H H 1 8.209 0.02 . 1 . . . . . 22 LEU HN . 27374 1 93 . 1 1 22 22 LEU C C 13 177.072 0.80 . 1 . . . . . 22 LEU C . 27374 1 94 . 1 1 22 22 LEU CA C 13 54.874 0.80 . 1 . . . . . 22 LEU CA . 27374 1 95 . 1 1 22 22 LEU CB C 13 41.913 0.80 . 1 . . . . . 22 LEU CB . 27374 1 96 . 1 1 22 22 LEU N N 15 125.925 0.25 . 1 . . . . . 22 LEU N . 27374 1 97 . 1 1 23 23 CYS H H 1 8.214 0.02 . 1 . . . . . 23 CYS HN . 27374 1 98 . 1 1 23 23 CYS C C 13 174.825 0.80 . 1 . . . . . 23 CYS C . 27374 1 99 . 1 1 23 23 CYS CA C 13 58.512 0.80 . 1 . . . . . 23 CYS CA . 27374 1 100 . 1 1 23 23 CYS CB C 13 27.943 0.80 . 1 . . . . . 23 CYS CB . 27374 1 101 . 1 1 23 23 CYS N N 15 120.216 0.25 . 1 . . . . . 23 CYS N . 27374 1 102 . 1 1 24 24 GLY H H 1 8.345 0.02 . 1 . . . . . 24 GLY HN . 27374 1 103 . 1 1 24 24 GLY C C 13 174.158 0.80 . 1 . . . . . 24 GLY C . 27374 1 104 . 1 1 24 24 GLY CA C 13 45.169 0.80 . 1 . . . . . 24 GLY CA . 27374 1 105 . 1 1 24 24 GLY N N 15 111.347 0.25 . 1 . . . . . 24 GLY N . 27374 1 106 . 1 1 25 25 THR H H 1 8 0.02 . 1 . . . . . 25 THR HN . 27374 1 107 . 1 1 25 25 THR C C 13 174.617 0.80 . 1 . . . . . 25 THR C . 27374 1 108 . 1 1 25 25 THR CA C 13 61.683 0.80 . 1 . . . . . 25 THR CA . 27374 1 109 . 1 1 25 25 THR CB C 13 69.497 0.80 . 1 . . . . . 25 THR CB . 27374 1 110 . 1 1 25 25 THR N N 15 113.309 0.25 . 1 . . . . . 25 THR N . 27374 1 111 . 1 1 26 26 CYS H H 1 8.329 0.02 . 1 . . . . . 26 CYS HN . 27374 1 112 . 1 1 26 26 CYS C C 13 174.84 0.80 . 1 . . . . . 26 CYS C . 27374 1 113 . 1 1 26 26 CYS CA C 13 58.539 0.80 . 1 . . . . . 26 CYS CA . 27374 1 114 . 1 1 26 26 CYS CB C 13 27.745 0.80 . 1 . . . . . 26 CYS CB . 27374 1 115 . 1 1 26 26 CYS N N 15 121.068 0.25 . 1 . . . . . 26 CYS N . 27374 1 116 . 1 1 27 27 GLY H H 1 8.337 0.02 . 1 . . . . . 27 GLY HN . 27374 1 117 . 1 1 27 27 GLY CA C 13 45.02 0.80 . 1 . . . . . 27 GLY CA . 27374 1 118 . 1 1 27 27 GLY N N 15 111.085 0.25 . 1 . . . . . 27 GLY N . 27374 1 119 . 1 1 28 28 GLN H H 1 8.064 0.02 . 1 . . . . . 28 GLN HN . 27374 1 120 . 1 1 28 28 GLN C C 13 173.854 0.80 . 1 . . . . . 28 GLN C . 27374 1 121 . 1 1 28 28 GLN CA C 13 53.41 0.80 . 1 . . . . . 28 GLN CA . 27374 1 122 . 1 1 28 28 GLN CB C 13 28.645 0.80 . 1 . . . . . 28 GLN CB . 27374 1 123 . 1 1 28 28 GLN N N 15 120.602 0.25 . 1 . . . . . 28 GLN N . 27374 1 124 . 1 1 29 29 PRO CA C 13 62.919 0.80 . 1 . . . . . 29 PRO CA . 27374 1 125 . 1 1 29 29 PRO CB C 13 31.931 0.80 . 1 . . . . . 29 PRO CB . 27374 1 126 . 1 1 30 30 ALA H H 1 8.339 0.02 . 1 . . . . . 30 ALA HN . 27374 1 127 . 1 1 30 30 ALA C C 13 177.493 0.80 . 1 . . . . . 30 ALA C . 27374 1 128 . 1 1 30 30 ALA CA C 13 52.433 0.80 . 1 . . . . . 30 ALA CA . 27374 1 129 . 1 1 30 30 ALA CB C 13 19.007 0.80 . 1 . . . . . 30 ALA CB . 27374 1 130 . 1 1 30 30 ALA N N 15 124.111 0.25 . 1 . . . . . 30 ALA N . 27374 1 131 . 1 1 31 31 ASP H H 1 8.139 0.02 . 1 . . . . . 31 ASP HN . 27374 1 132 . 1 1 31 31 ASP C C 13 176.277 0.80 . 1 . . . . . 31 ASP C . 27374 1 133 . 1 1 31 31 ASP CA C 13 53.985 0.80 . 1 . . . . . 31 ASP CA . 27374 1 134 . 1 1 31 31 ASP CB C 13 40.88 0.80 . 1 . . . . . 31 ASP CB . 27374 1 135 . 1 1 31 31 ASP N N 15 119.191 0.25 . 1 . . . . . 31 ASP N . 27374 1 136 . 1 1 32 32 LYS H H 1 8.07 0.02 . 1 . . . . . 32 LYS HN . 27374 1 137 . 1 1 32 32 LYS C C 13 176.479 0.80 . 1 . . . . . 32 LYS C . 27374 1 138 . 1 1 32 32 LYS CA C 13 56.355 0.80 . 1 . . . . . 32 LYS CA . 27374 1 139 . 1 1 32 32 LYS CB C 13 32.598 0.80 . 1 . . . . . 32 LYS CB . 27374 1 140 . 1 1 32 32 LYS N N 15 121.766 0.25 . 1 . . . . . 32 LYS N . 27374 1 141 . 1 1 33 33 ALA H H 1 8.16 0.02 . 1 . . . . . 33 ALA HN . 27374 1 142 . 1 1 33 33 ALA C C 13 177.953 0.80 . 1 . . . . . 33 ALA C . 27374 1 143 . 1 1 33 33 ALA CA C 13 52.627 0.80 . 1 . . . . . 33 ALA CA . 27374 1 144 . 1 1 33 33 ALA CB C 13 18.961 0.80 . 1 . . . . . 33 ALA CB . 27374 1 145 . 1 1 33 33 ALA N N 15 124.531 0.25 . 1 . . . . . 33 ALA N . 27374 1 146 . 1 1 34 34 SER H H 1 8.053 0.02 . 1 . . . . . 34 SER HN . 27374 1 147 . 1 1 34 34 SER C C 13 174.443 0.80 . 1 . . . . . 34 SER C . 27374 1 148 . 1 1 34 34 SER CA C 13 58.226 0.80 . 1 . . . . . 34 SER CA . 27374 1 149 . 1 1 34 34 SER CB C 13 63.462 0.80 . 1 . . . . . 34 SER CB . 27374 1 150 . 1 1 34 34 SER N N 15 114.804 0.25 . 1 . . . . . 34 SER N . 27374 1 151 . 1 1 35 35 ALA H H 1 8.18 0.02 . 1 . . . . . 35 ALA HN . 27374 1 152 . 1 1 35 35 ALA C C 13 177.786 0.80 . 1 . . . . . 35 ALA C . 27374 1 153 . 1 1 35 35 ALA CA C 13 52.532 0.80 . 1 . . . . . 35 ALA CA . 27374 1 154 . 1 1 35 35 ALA CB C 13 19.018 0.80 . 1 . . . . . 35 ALA CB . 27374 1 155 . 1 1 35 35 ALA N N 15 126.028 0.25 . 1 . . . . . 35 ALA N . 27374 1 156 . 1 1 36 36 SER H H 1 8.131 0.02 . 1 . . . . . 36 SER HN . 27374 1 157 . 1 1 36 36 SER C C 13 173.97 0.80 . 1 . . . . . 36 SER C . 27374 1 158 . 1 1 36 36 SER CA C 13 58.381 0.80 . 1 . . . . . 36 SER CA . 27374 1 159 . 1 1 36 36 SER CB C 13 63.489 0.80 . 1 . . . . . 36 SER CB . 27374 1 160 . 1 1 36 36 SER N N 15 114.729 0.25 . 1 . . . . . 36 SER N . 27374 1 161 . 1 1 37 37 GLY H H 1 8.225 0.02 . 1 . . . . . 37 GLY HN . 27374 1 162 . 1 1 37 37 GLY C C 13 174.247 0.80 . 1 . . . . . 37 GLY C . 27374 1 163 . 1 1 37 37 GLY CA C 13 45.143 0.80 . 1 . . . . . 37 GLY CA . 27374 1 164 . 1 1 37 37 GLY N N 15 110.88 0.25 . 1 . . . . . 37 GLY N . 27374 1 165 . 1 1 38 38 SER H H 1 8.153 0.02 . 1 . . . . . 38 SER HN . 27374 1 166 . 1 1 38 38 SER C C 13 175.045 0.80 . 1 . . . . . 38 SER C . 27374 1 167 . 1 1 38 38 SER CA C 13 58.566 0.80 . 1 . . . . . 38 SER CA . 27374 1 168 . 1 1 38 38 SER CB C 13 63.521 0.80 . 1 . . . . . 38 SER CB . 27374 1 169 . 1 1 38 38 SER N N 15 115.643 0.25 . 1 . . . . . 38 SER N . 27374 1 170 . 1 1 39 39 GLY H H 1 8.336 0.02 . 1 . . . . . 39 GLY HN . 27374 1 171 . 1 1 39 39 GLY C C 13 173.816 0.80 . 1 . . . . . 39 GLY C . 27374 1 172 . 1 1 39 39 GLY CA C 13 45.01 0.80 . 1 . . . . . 39 GLY CA . 27374 1 173 . 1 1 39 39 GLY N N 15 111.012 0.25 . 1 . . . . . 39 GLY N . 27374 1 174 . 1 1 40 40 ALA H H 1 7.994 0.02 . 1 . . . . . 40 ALA HN . 27374 1 175 . 1 1 40 40 ALA C C 13 177.621 0.80 . 1 . . . . . 40 ALA C . 27374 1 176 . 1 1 40 40 ALA CA C 13 52.442 0.80 . 1 . . . . . 40 ALA CA . 27374 1 177 . 1 1 40 40 ALA CB C 13 18.992 0.80 . 1 . . . . . 40 ALA CB . 27374 1 178 . 1 1 40 40 ALA N N 15 123.619 0.25 . 1 . . . . . 40 ALA N . 27374 1 179 . 1 1 41 41 GLN H H 1 8.236 0.02 . 1 . . . . . 41 GLN HN . 27374 1 180 . 1 1 41 41 GLN C C 13 175.686 0.80 . 1 . . . . . 41 GLN C . 27374 1 181 . 1 1 41 41 GLN CA C 13 55.369 0.80 . 1 . . . . . 41 GLN CA . 27374 1 182 . 1 1 41 41 GLN CB C 13 29.36 0.80 . 1 . . . . . 41 GLN CB . 27374 1 183 . 1 1 41 41 GLN N N 15 119.336 0.25 . 1 . . . . . 41 GLN N . 27374 1 184 . 1 1 42 42 SER H H 1 8.238 0.02 . 1 . . . . . 42 SER HN . 27374 1 185 . 1 1 42 42 SER C C 13 172.599 0.80 . 1 . . . . . 42 SER C . 27374 1 186 . 1 1 42 42 SER CA C 13 56.515 0.80 . 1 . . . . . 42 SER CA . 27374 1 187 . 1 1 42 42 SER CB C 13 62.897 0.80 . 1 . . . . . 42 SER CB . 27374 1 188 . 1 1 42 42 SER N N 15 118.783 0.25 . 1 . . . . . 42 SER N . 27374 1 189 . 1 1 43 43 PRO C C 13 176.875 0.80 . 1 . . . . . 43 PRO C . 27374 1 190 . 1 1 43 43 PRO CA C 13 63.324 0.80 . 1 . . . . . 43 PRO CA . 27374 1 191 . 1 1 43 43 PRO CB C 13 31.854 0.80 . 1 . . . . . 43 PRO CB . 27374 1 192 . 1 1 44 44 GLN H H 1 8.329 0.02 . 1 . . . . . 44 GLN HN . 27374 1 193 . 1 1 44 44 GLN C C 13 175.688 0.80 . 1 . . . . . 44 GLN C . 27374 1 194 . 1 1 44 44 GLN CA C 13 55.806 0.80 . 1 . . . . . 44 GLN CA . 27374 1 195 . 1 1 44 44 GLN CB C 13 29.207 0.80 . 1 . . . . . 44 GLN CB . 27374 1 196 . 1 1 44 44 GLN N N 15 119.953 0.25 . 1 . . . . . 44 GLN N . 27374 1 197 . 1 1 45 45 ASN H H 1 8.289 0.02 . 1 . . . . . 45 ASN HN . 27374 1 198 . 1 1 45 45 ASN C C 13 174.915 0.80 . 1 . . . . . 45 ASN C . 27374 1 199 . 1 1 45 45 ASN CA C 13 53.256 0.80 . 1 . . . . . 45 ASN CA . 27374 1 200 . 1 1 45 45 ASN CB C 13 38.529 0.80 . 1 . . . . . 45 ASN CB . 27374 1 201 . 1 1 45 45 ASN N N 15 119.568 0.25 . 1 . . . . . 45 ASN N . 27374 1 202 . 1 1 46 46 CYS H H 1 8.168 0.02 . 1 . . . . . 46 CYS HN . 27374 1 203 . 1 1 46 46 CYS C C 13 174.285 0.80 . 1 . . . . . 46 CYS C . 27374 1 204 . 1 1 46 46 CYS CA C 13 58.315 0.80 . 1 . . . . . 46 CYS CA . 27374 1 205 . 1 1 46 46 CYS CB C 13 27.978 0.80 . 1 . . . . . 46 CYS CB . 27374 1 206 . 1 1 46 46 CYS N N 15 119.462 0.25 . 1 . . . . . 46 CYS N . 27374 1 207 . 1 1 47 47 SER H H 1 8.275 0.02 . 1 . . . . . 47 SER HN . 27374 1 208 . 1 1 47 47 SER C C 13 173.958 0.80 . 1 . . . . . 47 SER C . 27374 1 209 . 1 1 47 47 SER CA C 13 58.334 0.80 . 1 . . . . . 47 SER CA . 27374 1 210 . 1 1 47 47 SER CB C 13 63.451 0.80 . 1 . . . . . 47 SER CB . 27374 1 211 . 1 1 47 47 SER N N 15 118.337 0.25 . 1 . . . . . 47 SER N . 27374 1 212 . 1 1 48 48 ILE H H 1 7.975 0.02 . 1 . . . . . 48 ILE HN . 27374 1 213 . 1 1 48 48 ILE C C 13 175.208 0.80 . 1 . . . . . 48 ILE C . 27374 1 214 . 1 1 48 48 ILE CA C 13 61.263 0.80 . 1 . . . . . 48 ILE CA . 27374 1 215 . 1 1 48 48 ILE CB C 13 38.372 0.80 . 1 . . . . . 48 ILE CB . 27374 1 216 . 1 1 48 48 ILE N N 15 122.491 0.25 . 1 . . . . . 48 ILE N . 27374 1 217 . 1 1 49 49 MET H H 1 7.825 0.02 . 1 . . . . . 49 MET HN . 27374 1 218 . 1 1 49 49 MET N N 15 129.37 0.25 . 1 . . . . . 49 MET N . 27374 1 stop_ save_