################################### # 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 26069 _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 '2D 1H-15N HSQC' . . . 26069 1 2 '3D HNCO' . . . 26069 1 3 '3D HNCA' . . . 26069 1 4 '3D CBCA(CO)NH' . . . 26069 1 5 '3D HCCH-TOCSY' . . . 26069 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.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 ALA C C 13 173.93 0.1 . 1 . . . . 45 A C . 26069 1 2 . 1 1 1 1 ALA CA C 13 52.30 0.1 . 1 . . . . 45 A CA . 26069 1 3 . 1 1 1 1 ALA CB C 13 19.27 0.1 . 1 . . . . 45 A CB . 26069 1 4 . 1 1 2 2 GLU H H 1 8.36 0.02 . 1 . . . . 46 E H . 26069 1 5 . 1 1 2 2 GLU CA C 13 54.54 0.1 . 1 . . . . 46 E CA . 26069 1 6 . 1 1 2 2 GLU N N 15 121.88 0.1 . 1 . . . . 46 E N . 26069 1 7 . 1 1 3 3 PRO C C 13 176.40 0.1 . 1 . . . . 47 P C . 26069 1 8 . 1 1 3 3 PRO CA C 13 62.94 0.1 . 1 . . . . 47 P CA . 26069 1 9 . 1 1 3 3 PRO CB C 13 31.79 0.1 . 1 . . . . 47 P CB . 26069 1 10 . 1 1 4 4 ASP H H 1 8.44 0.02 . 1 . . . . 48 D H . 26069 1 11 . 1 1 4 4 ASP C C 13 175.9 0.1 . 1 . . . . 48 D C . 26069 1 12 . 1 1 4 4 ASP CA C 13 54.50 0.1 . 1 . . . . 48 D CA . 26069 1 13 . 1 1 4 4 ASP CB C 13 40.98 0.1 . 1 . . . . 48 D CB . 26069 1 14 . 1 1 4 4 ASP N N 15 120.64 0.1 . 1 . . . . 48 D N . 26069 1 15 . 1 1 5 5 ARG H H 1 8.10 0.02 . 1 . . . . 49 R H . 26069 1 16 . 1 1 5 5 ARG HA H 1 4.50 0.02 . 1 . . . . 49 R HA . 26069 1 17 . 1 1 5 5 ARG C C 13 174.79 0.1 . 1 . . . . 49 R C . 26069 1 18 . 1 1 5 5 ARG CA C 13 55.09 0.1 . 1 . . . . 49 R CA . 26069 1 19 . 1 1 5 5 ARG CB C 13 32.63 0.1 . 1 . . . . 49 R CB . 26069 1 20 . 1 1 5 5 ARG CG C 13 27.66 0.1 . 1 . . . . 49 R CG . 26069 1 21 . 1 1 5 5 ARG CD C 13 43.98 0.1 . 1 . . . . 49 R CD . 26069 1 22 . 1 1 5 5 ARG N N 15 120.19 0.1 . 1 . . . . 49 R N . 26069 1 23 . 1 1 6 6 ALA H H 1 8.49 0.02 . 1 . . . . 50 A H . 26069 1 24 . 1 1 6 6 ALA HA H 1 4.50 0.02 . 1 . . . . 50 A HA . 26069 1 25 . 1 1 6 6 ALA C C 13 174.70 0.1 . 1 . . . . 50 A C . 26069 1 26 . 1 1 6 6 ALA CA C 13 50.81 0.1 . 1 . . . . 50 A CA . 26069 1 27 . 1 1 6 6 ALA CB C 13 21.35 0.1 . 1 . . . . 50 A CB . 26069 1 28 . 1 1 6 6 ALA N N 15 125.49 0.1 . 1 . . . . 50 A N . 26069 1 29 . 1 1 7 7 HIS H H 1 7.91 0.02 . 1 . . . . 51 H H . 26069 1 30 . 1 1 7 7 HIS HA H 1 4.55 0.02 . 1 . . . . 51 H HA . 26069 1 31 . 1 1 7 7 HIS HB2 H 1 2.84 0.02 . 1 . . . . 51 H HB2 . 26069 1 32 . 1 1 7 7 HIS C C 13 175.28 0.1 . 1 . . . . 51 H C . 26069 1 33 . 1 1 7 7 HIS CA C 13 55.83 0.1 . 1 . . . . 51 H CA . 26069 1 34 . 1 1 7 7 HIS CB C 13 32.51 0.1 . 1 . . . . 51 H CB . 26069 1 35 . 1 1 7 7 HIS N N 15 116.55 0.1 . 1 . . . . 51 H N . 26069 1 36 . 1 1 8 8 TYR H H 1 9.28 0.02 . 1 . . . . 52 Y H . 26069 1 37 . 1 1 8 8 TYR HA H 1 4.40 0.02 . 1 . . . . 52 Y HA . 26069 1 38 . 1 1 8 8 TYR HB2 H 1 2.92 0.02 . 1 . . . . 52 Y HB2 . 26069 1 39 . 1 1 8 8 TYR HB3 H 1 2.62 0.02 . 1 . . . . 52 Y HB3 . 26069 1 40 . 1 1 8 8 TYR CA C 13 57.33 0.1 . 1 . . . . 52 Y CA . 26069 1 41 . 1 1 8 8 TYR CB C 13 40.04 0.1 . 1 . . . . 52 Y CB . 26069 1 42 . 1 1 8 8 TYR N N 15 122.65 0.1 . 1 . . . . 52 Y N . 26069 1 43 . 1 1 9 9 ASN C C 13 174.27 0.1 . 1 . . . . 53 N C . 26069 1 44 . 1 1 9 9 ASN CA C 13 52.80 0.1 . 1 . . . . 53 N CA . 26069 1 45 . 1 1 10 10 ILE H H 1 9.09 0.02 . 1 . . . . 54 I H . 26069 1 46 . 1 1 10 10 ILE C C 13 174.77 0.1 . 1 . . . . 54 I C . 26069 1 47 . 1 1 10 10 ILE CA C 13 60.07 0.1 . 1 . . . . 54 I CA . 26069 1 48 . 1 1 10 10 ILE N N 15 125.06 0.1 . 1 . . . . 54 I N . 26069 1 49 . 1 1 11 11 VAL H H 1 8.56 0.02 . 1 . . . . 55 V H . 26069 1 50 . 1 1 11 11 VAL C C 13 175.27 0.1 . 1 . . . . 55 V C . 26069 1 51 . 1 1 11 11 VAL CA C 13 61.82 0.1 . 1 . . . . 55 V CA . 26069 1 52 . 1 1 11 11 VAL N N 15 127.65 0.1 . 1 . . . . 55 V N . 26069 1 53 . 1 1 12 12 THR H H 1 8.65 0.02 . 1 . . . . 56 T H . 26069 1 54 . 1 1 12 12 THR HA H 1 4.51 0.02 . 1 . . . . 56 T HA . 26069 1 55 . 1 1 12 12 THR HB H 1 3.94 0.02 . 1 . . . . 56 T HB . 26069 1 56 . 1 1 12 12 THR HG21 H 1 0.93 0.02 . 1 . . . . 56 T HG2 . 26069 1 57 . 1 1 12 12 THR HG22 H 1 0.93 0.02 . 1 . . . . 56 T HG2 . 26069 1 58 . 1 1 12 12 THR HG23 H 1 0.93 0.02 . 1 . . . . 56 T HG2 . 26069 1 59 . 1 1 12 12 THR C C 13 170.91 0.1 . 1 . . . . 56 T C . 26069 1 60 . 1 1 12 12 THR CA C 13 58.37 0.1 . 1 . . . . 56 T CA . 26069 1 61 . 1 1 12 12 THR CB C 13 69.47 0.1 . 1 . . . . 56 T CB . 26069 1 62 . 1 1 12 12 THR CG2 C 13 18.19 0.1 . 1 . . . . 56 T CG2 . 26069 1 63 . 1 1 12 12 THR N N 15 123.80 0.1 . 1 . . . . 56 T N . 26069 1 64 . 1 1 13 13 PHE H H 1 8.27 0.02 . 1 . . . . 57 F H . 26069 1 65 . 1 1 13 13 PHE C C 13 175.13 0.1 . 1 . . . . 57 F C . 26069 1 66 . 1 1 13 13 PHE CA C 13 55.29 0.1 . 1 . . . . 57 F CA . 26069 1 67 . 1 1 13 13 PHE CB C 13 41.73 0.1 . 1 . . . . 57 F CB . 26069 1 68 . 1 1 13 13 PHE N N 15 119.93 0.1 . 1 . . . . 57 F N . 26069 1 69 . 1 1 14 14 CYS H H 1 9.36 0.02 . 1 . . . . 58 C H . 26069 1 70 . 1 1 14 14 CYS C C 13 178.16 0.1 . 1 . . . . 58 C C . 26069 1 71 . 1 1 14 14 CYS CA C 13 59.05 0.1 . 1 . . . . 58 C CA . 26069 1 72 . 1 1 14 14 CYS N N 15 125.22 0.1 . 1 . . . . 58 C N . 26069 1 73 . 1 1 15 15 CYS H H 1 8.85 0.02 . 1 . . . . 59 C H . 26069 1 74 . 1 1 15 15 CYS C C 13 174.05 0.1 . 1 . . . . 59 C C . 26069 1 75 . 1 1 15 15 CYS CA C 13 59.62 0.1 . 1 . . . . 59 C CA . 26069 1 76 . 1 1 15 15 CYS CB C 13 27.53 0.1 . 1 . . . . 59 C CB . 26069 1 77 . 1 1 15 15 CYS N N 15 127.19 0.1 . 1 . . . . 59 C N . 26069 1 78 . 1 1 16 16 LYS H H 1 9.57 0.02 . 1 . . . . 60 K H . 26069 1 79 . 1 1 16 16 LYS C C 13 177.29 0.1 . 1 . . . . 60 K C . 26069 1 80 . 1 1 16 16 LYS CA C 13 57.62 0.1 . 1 . . . . 60 K CA . 26069 1 81 . 1 1 16 16 LYS CB C 13 33.69 0.1 . 1 . . . . 60 K CB . 26069 1 82 . 1 1 16 16 LYS N N 15 125.28 0.1 . 1 . . . . 60 K N . 26069 1 83 . 1 1 17 17 CYS H H 1 8.46 0.02 . 1 . . . . 61 C H . 26069 1 84 . 1 1 17 17 CYS C C 13 176.07 0.1 . 1 . . . . 61 C C . 26069 1 85 . 1 1 17 17 CYS CA C 13 59.16 0.1 . 1 . . . . 61 C CA . 26069 1 86 . 1 1 17 17 CYS N N 15 118.67 0.1 . 1 . . . . 61 C N . 26069 1 87 . 1 1 18 18 ASP H H 1 8.19 0.02 . 1 . . . . 62 D H . 26069 1 88 . 1 1 18 18 ASP C C 13 175.22 0.1 . 1 . . . . 62 D C . 26069 1 89 . 1 1 18 18 ASP CA C 13 56.92 0.1 . 1 . . . . 62 D CA . 26069 1 90 . 1 1 18 18 ASP CB C 13 40.67 0.1 . 1 . . . . 62 D CB . 26069 1 91 . 1 1 18 18 ASP N N 15 119.83 0.1 . 1 . . . . 62 D N . 26069 1 92 . 1 1 19 19 SER H H 1 8.65 0.02 . 1 . . . . 63 S H . 26069 1 93 . 1 1 19 19 SER CA C 13 60.18 0.1 . 1 . . . . 63 S CA . 26069 1 94 . 1 1 19 19 SER N N 15 117.43 0.1 . 1 . . . . 63 S N . 26069 1 95 . 1 1 29 29 HIS C C 13 177.14 0.1 . 1 . . . . 73 H C . 26069 1 96 . 1 1 29 29 HIS CA C 13 59.41 0.1 . 1 . . . . 73 H CA . 26069 1 97 . 1 1 29 29 HIS CB C 13 30.22 0.1 . 1 . . . . 73 H CB . 26069 1 98 . 1 1 30 30 VAL H H 1 7.52 0.02 . 1 . . . . 74 V H . 26069 1 99 . 1 1 30 30 VAL C C 13 174.33 0.1 . 1 . . . . 74 V C . 26069 1 100 . 1 1 30 30 VAL CA C 13 65.31 0.1 . 1 . . . . 74 V CA . 26069 1 101 . 1 1 30 30 VAL N N 15 118.32 0.1 . 1 . . . . 74 V N . 26069 1 102 . 1 1 31 31 ASP H H 1 7.31 0.02 . 1 . . . . 75 D H . 26069 1 103 . 1 1 31 31 ASP C C 13 177.98 0.1 . 1 . . . . 75 D C . 26069 1 104 . 1 1 31 31 ASP CA C 13 57.16 0.1 . 1 . . . . 75 D CA . 26069 1 105 . 1 1 31 31 ASP N N 15 120.55 0.1 . 1 . . . . 75 D N . 26069 1 106 . 1 1 32 32 ILE H H 1 7.32 0.02 . 1 . . . . 76 I H . 26069 1 107 . 1 1 32 32 ILE C C 13 176.69 0.1 . 1 . . . . 76 I C . 26069 1 108 . 1 1 32 32 ILE CA C 13 60.74 0.1 . 1 . . . . 76 I CA . 26069 1 109 . 1 1 32 32 ILE N N 15 118.53 0.1 . 1 . . . . 76 I N . 26069 1 110 . 1 1 33 33 ARG H H 1 7.16 0.02 . 1 . . . . 77 R H . 26069 1 111 . 1 1 33 33 ARG C C 13 178.53 0.1 . 1 . . . . 77 R C . 26069 1 112 . 1 1 33 33 ARG CA C 13 58.16 0.1 . 1 . . . . 77 R CA . 26069 1 113 . 1 1 33 33 ARG CB C 13 29.12 0.1 . 1 . . . . 77 R CB . 26069 1 114 . 1 1 33 33 ARG N N 15 122.67 0.1 . 1 . . . . 77 R N . 26069 1 115 . 1 1 34 34 THR H H 1 7.66 0.02 . 1 . . . . 78 T H . 26069 1 116 . 1 1 34 34 THR HA H 1 4.30 0.02 . 1 . . . . 78 T HA . 26069 1 117 . 1 1 34 34 THR HB H 1 3.91 0.02 . 1 . . . . 78 T HB . 26069 1 118 . 1 1 34 34 THR HG21 H 1 1.16 0.02 . 1 . . . . 78 T HG2 . 26069 1 119 . 1 1 34 34 THR HG22 H 1 1.16 0.02 . 1 . . . . 78 T HG2 . 26069 1 120 . 1 1 34 34 THR HG23 H 1 1.16 0.02 . 1 . . . . 78 T HG2 . 26069 1 121 . 1 1 34 34 THR C C 13 176.32 0.1 . 1 . . . . 78 T C . 26069 1 122 . 1 1 34 34 THR CA C 13 66.22 0.1 . 1 . . . . 78 T CA . 26069 1 123 . 1 1 34 34 THR CB C 13 67.98 0.1 . 1 . . . . 78 T CB . 26069 1 124 . 1 1 34 34 THR CG2 C 13 22.10 0.1 . 1 . . . . 78 T CG2 . 26069 1 125 . 1 1 34 34 THR N N 15 116.09 0.1 . 1 . . . . 78 T N . 26069 1 126 . 1 1 35 35 LEU H H 1 8.10 0.02 . 1 . . . . 79 L H . 26069 1 127 . 1 1 35 35 LEU C C 13 177.84 0.1 . 1 . . . . 79 L C . 26069 1 128 . 1 1 35 35 LEU CA C 13 58.28 0.1 . 1 . . . . 79 L CA . 26069 1 129 . 1 1 35 35 LEU CB C 13 41.59 0.1 . 1 . . . . 79 L CB . 26069 1 130 . 1 1 35 35 LEU N N 15 122.29 0.1 . 1 . . . . 79 L N . 26069 1 131 . 1 1 36 36 GLU H H 1 8.81 0.02 . 1 . . . . 80 E H . 26069 1 132 . 1 1 36 36 GLU C C 13 179.28 0.1 . 1 . . . . 80 E C . 26069 1 133 . 1 1 36 36 GLU CA C 13 60.45 0.1 . 1 . . . . 80 E CA . 26069 1 134 . 1 1 36 36 GLU CB C 13 29.65 0.1 . 1 . . . . 80 E CB . 26069 1 135 . 1 1 36 36 GLU N N 15 118.52 0.1 . 1 . . . . 80 E N . 26069 1 136 . 1 1 37 37 ASP H H 1 8.14 0.02 . 1 . . . . 81 D H . 26069 1 137 . 1 1 37 37 ASP C C 13 180.09 0.1 . 1 . . . . 81 D C . 26069 1 138 . 1 1 37 37 ASP CA C 13 57.33 0.1 . 1 . . . . 81 D CA . 26069 1 139 . 1 1 37 37 ASP CB C 13 39.81 0.1 . 1 . . . . 81 D CB . 26069 1 140 . 1 1 37 37 ASP N N 15 119.12 0.1 . 1 . . . . 81 D N . 26069 1 141 . 1 1 38 38 LEU H H 1 8.072 0.02 . 1 . . . . 82 L H . 26069 1 142 . 1 1 38 38 LEU CA C 13 58.096 0.1 . 1 . . . . 82 L CA . 26069 1 143 . 1 1 38 38 LEU N N 15 121.24 0.1 . 1 . . . . 82 L N . 26069 1 144 . 1 1 40 40 MET C C 13 176.43 0.1 . 1 . . . . 84 M C . 26069 1 145 . 1 1 41 41 GLY H H 1 7.54 0.02 . 1 . . . . 85 G H . 26069 1 146 . 1 1 41 41 GLY HA2 H 1 3.96 0.02 . 1 . . . . 85 G HA2 . 26069 1 147 . 1 1 41 41 GLY HA3 H 1 3.84 0.02 . 1 . . . . 85 G HA3 . 26069 1 148 . 1 1 41 41 GLY C C 13 174.71 0.1 . 1 . . . . 85 G C . 26069 1 149 . 1 1 41 41 GLY CA C 13 45.32 0.1 . 1 . . . . 85 G CA . 26069 1 150 . 1 1 41 41 GLY N N 15 110.03 0.1 . 1 . . . . 85 G N . 26069 1 151 . 1 1 42 42 THR H H 1 8.97 0.02 . 1 . . . . 86 T H . 26069 1 152 . 1 1 42 42 THR C C 13 173.84 0.1 . 1 . . . . 86 T C . 26069 1 153 . 1 1 42 42 THR CA C 13 61.73 0.1 . 1 . . . . 86 T CA . 26069 1 154 . 1 1 42 42 THR CB C 13 68.89 0.1 . 1 . . . . 86 T CB . 26069 1 155 . 1 1 42 42 THR N N 15 116.20 0.1 . 1 . . . . 86 T N . 26069 1 156 . 1 1 43 43 LEU H H 1 7.50 0.02 . 1 . . . . 87 L H . 26069 1 157 . 1 1 43 43 LEU C C 13 174.48 0.1 . 1 . . . . 87 L C . 26069 1 158 . 1 1 43 43 LEU CA C 13 55.79 0.1 . 1 . . . . 87 L CA . 26069 1 159 . 1 1 43 43 LEU N N 15 124.52 0.1 . 1 . . . . 87 L N . 26069 1 160 . 1 1 44 44 GLY H H 1 8.99 0.02 . 1 . . . . 88 G H . 26069 1 161 . 1 1 44 44 GLY HA2 H 1 3.67 0.02 . 1 . . . . 88 G HA . 26069 1 162 . 1 1 44 44 GLY HA3 H 1 3.67 0.02 . 1 . . . . 88 G HA . 26069 1 163 . 1 1 44 44 GLY C C 13 171.80 0.1 . 1 . . . . 88 G C . 26069 1 164 . 1 1 44 44 GLY CA C 13 44.11 0.1 . 1 . . . . 88 G CA . 26069 1 165 . 1 1 44 44 GLY N N 15 114.12 0.1 . 1 . . . . 88 G N . 26069 1 166 . 1 1 45 45 ILE H H 1 9.28 0.02 . 1 . . . . 89 I H . 26069 1 167 . 1 1 45 45 ILE C C 13 174.21 0.1 . 1 . . . . 89 I C . 26069 1 168 . 1 1 45 45 ILE CA C 13 59.82 0.1 . 1 . . . . 89 I CA . 26069 1 169 . 1 1 45 45 ILE CB C 13 44.16 0.1 . 1 . . . . 89 I CB . 26069 1 170 . 1 1 45 45 ILE N N 15 123.74 0.1 . 1 . . . . 89 I N . 26069 1 171 . 1 1 46 46 VAL H H 1 8.57 0.02 . 1 . . . . 90 V H . 26069 1 172 . 1 1 46 46 VAL C C 13 175.65 0.1 . 1 . . . . 90 V C . 26069 1 173 . 1 1 46 46 VAL CA C 13 60.88 0.1 . 1 . . . . 90 V CA . 26069 1 174 . 1 1 46 46 VAL CB C 13 33.80 0.1 . 1 . . . . 90 V CB . 26069 1 175 . 1 1 46 46 VAL N N 15 127.66 0.1 . 1 . . . . 90 V N . 26069 1 176 . 1 1 47 47 CYS H H 1 10.02 0.02 . 1 . . . . 91 C H . 26069 1 177 . 1 1 47 47 CYS CA C 13 58.09 0.1 . 1 . . . . 91 C CA . 26069 1 178 . 1 1 47 47 CYS N N 15 131.78 0.1 . 1 . . . . 91 C N . 26069 1 179 . 1 1 48 48 PRO C C 13 178.92 0.1 . 1 . . . . 92 P C . 26069 1 180 . 1 1 48 48 PRO CA C 13 65.40 0.1 . 1 . . . . 92 P CA . 26069 1 181 . 1 1 48 48 PRO CB C 13 32.21 0.1 . 1 . . . . 92 P CB . 26069 1 182 . 1 1 49 49 ILE H H 1 7.85 0.02 . 1 . . . . 93 I H . 26069 1 183 . 1 1 49 49 ILE C C 13 179.30 0.1 . 1 . . . . 93 I C . 26069 1 184 . 1 1 49 49 ILE CA C 13 63.85 0.1 . 1 . . . . 93 I CA . 26069 1 185 . 1 1 49 49 ILE CB C 13 37.30 0.1 . 1 . . . . 93 I CB . 26069 1 186 . 1 1 49 49 ILE N N 15 119.22 0.1 . 1 . . . . 93 I N . 26069 1 187 . 1 1 50 50 CYS H H 1 8.45 0.02 . 1 . . . . 94 C H . 26069 1 188 . 1 1 50 50 CYS C C 13 178.05 0.1 . 1 . . . . 94 C C . 26069 1 189 . 1 1 50 50 CYS CA C 13 64.15 0.1 . 1 . . . . 94 C CA . 26069 1 190 . 1 1 50 50 CYS CB C 13 29.36 0.1 . 1 . . . . 94 C CB . 26069 1 191 . 1 1 50 50 CYS N N 15 124.64 0.1 . 1 . . . . 94 C N . 26069 1 192 . 1 1 51 51 SER H H 1 8.34 0.02 . 1 . . . . 95 S H . 26069 1 193 . 1 1 51 51 SER HA H 1 4.14 0.02 . 1 . . . . 95 S HA . 26069 1 194 . 1 1 51 51 SER HB2 H 1 3.74 0.02 . 1 . . . . 95 S HB2 . 26069 1 195 . 1 1 51 51 SER C C 13 174.49 0.1 . 1 . . . . 95 S C . 26069 1 196 . 1 1 51 51 SER CA C 13 60.40 0.1 . 1 . . . . 95 S CA . 26069 1 197 . 1 1 51 51 SER CB C 13 63.40 0.1 . 1 . . . . 95 S CB . 26069 1 198 . 1 1 51 51 SER N N 15 113.84 0.1 . 1 . . . . 95 S N . 26069 1 199 . 1 1 52 52 GLN H H 1 7.24 0.02 . 1 . . . . 96 Q H . 26069 1 200 . 1 1 52 52 GLN CA C 13 55.71 0.1 . 1 . . . . 96 Q CA . 26069 1 201 . 1 1 52 52 GLN CB C 13 29.03 0.1 . 1 . . . . 96 Q CB . 26069 1 202 . 1 1 52 52 GLN N N 15 119.19 0.1 . 1 . . . . 96 Q N . 26069 1 203 . 1 1 53 53 LYS H H 1 7.62 0.02 . 1 . . . . 97 K H . 26069 1 204 . 1 1 53 53 LYS CA C 13 54.37 0.1 . 1 . . . . 97 K CA . 26069 1 205 . 1 1 53 53 LYS N N 15 122.56 0.1 . 1 . . . . 97 K N . 26069 1 stop_ save_