################################### # 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 50152 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ike_coat _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_ref1 _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 '4D CANCOCX' . . . 50152 1 2 '2D J-based zfr-INADEQUATE' . . . 50152 1 3 '2D RFDR 3ms' . . . 50152 1 4 '2D RFDR 8ms' . . . 50152 1 5 '2D DARR 15ms' . . . 50152 1 6 '2D DARR 100ms' . . . 50152 1 7 '2D DARR 350ms' . . . 50152 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 1 1 ALA C C 13 174.8 . . 1 . . . . . 1 A C . 50152 1 2 . 1 . 1 1 1 ALA CA C 13 51.89 . . 1 . . . . . 1 A CA . 50152 1 3 . 1 . 1 1 1 ALA CB C 13 19.83 . . 1 . . . . . 1 A CB . 50152 1 4 . 1 . 1 2 2 GLU C C 13 179.3 . . 1 . . . . . 2 E C . 50152 1 5 . 1 . 1 2 2 GLU CA C 13 54.4 . . 1 . . . . . 2 E CA . 50152 1 6 . 1 . 1 2 2 GLU CG C 13 35.8 . . 1 . . . . . 2 E CG . 50152 1 7 . 1 . 1 3 3 PRO C C 13 175.5 . . 1 . . . . . 3 P C . 50152 1 8 . 1 . 1 3 3 PRO CA C 13 63.52 . . 1 . . . . . 3 P CA . 50152 1 9 . 1 . 1 3 3 PRO CB C 13 32.12 . . 1 . . . . . 3 P CB . 50152 1 10 . 1 . 1 3 3 PRO CG C 13 27.57 . . 1 . . . . . 3 P CG . 50152 1 11 . 1 . 1 3 3 PRO CD C 13 50.75 . . 1 . . . . . 3 P CD . 50152 1 12 . 1 . 1 4 4 ASN C C 13 175.4 . . 1 . . . . . 4 N C . 50152 1 13 . 1 . 1 4 4 ASN CA C 13 53.2 . . 1 . . . . . 4 N CA . 50152 1 14 . 1 . 1 4 4 ASN CB C 13 38.84 . . 1 . . . . . 4 N CB . 50152 1 15 . 1 . 1 4 4 ASN CG C 13 177.7 . . 1 . . . . . 4 N CG . 50152 1 16 . 1 . 1 5 5 ALA C C 13 177.0 . . 1 . . . . . 5 A C . 50152 1 17 . 1 . 1 5 5 ALA CA C 13 57.1 . . 1 . . . . . 5 A CA . 50152 1 18 . 1 . 1 5 5 ALA CB C 13 19.75 . . 1 . . . . . 5 A CB . 50152 1 19 . 1 . 1 6 6 ALA C C 13 175.4 . . 1 . . . . . 6 A C . 50152 1 20 . 1 . 1 6 6 ALA CA C 13 53.49 . . 1 . . . . . 6 A CA . 50152 1 21 . 1 . 1 6 6 ALA CB C 13 19.39 . . 1 . . . . . 6 A CB . 50152 1 22 . 1 . 1 6 6 ALA N N 15 120.0 . . 1 . . . . . 6 A N . 50152 1 23 . 1 . 1 8 8 ASN C C 13 177.8 . . 1 . . . . . 8 N C . 50152 1 24 . 1 . 1 8 8 ASN CA C 13 52.9 . . 1 . . . . . 8 N CA . 50152 1 25 . 1 . 1 8 8 ASN CB C 13 38.94 . . 1 . . . . . 8 N CB . 50152 1 26 . 1 . 1 8 8 ASN CG C 13 177.1 . . 1 . . . . . 8 N CG . 50152 1 27 . 1 . 1 9 9 TYR C C 13 178.3 . . 1 . . . . . 9 Y C . 50152 1 28 . 1 . 1 9 9 TYR CA C 13 60.73 . . 1 . . . . . 9 Y CA . 50152 1 29 . 1 . 1 9 9 TYR CB C 13 37.28 . . 1 . . . . . 9 Y CB . 50152 1 30 . 1 . 1 9 9 TYR CG C 13 129.7 . . 1 . . . . . 9 Y CG . 50152 1 31 . 1 . 1 9 9 TYR CD1 C 13 133.2 . . 1 . . . . . 9 Y CD1 . 50152 1 32 . 1 . 1 9 9 TYR CD2 C 13 133.5 . . 1 . . . . . 9 Y CD2 . 50152 1 33 . 1 . 1 9 9 TYR CE1 C 13 118.7 . . 1 . . . . . 9 Y CE1 . 50152 1 34 . 1 . 1 9 9 TYR CE2 C 13 118.0 . . 1 . . . . . 9 Y CE2 . 50152 1 35 . 1 . 1 9 9 TYR CZ C 13 157.7 . . 1 . . . . . 9 Y CZ . 50152 1 36 . 1 . 1 10 10 ALA C C 13 179.0 . . 1 . . . . . 10 A C . 50152 1 37 . 1 . 1 10 10 ALA CA C 13 54.83 . . 1 . . . . . 10 A CA . 50152 1 38 . 1 . 1 10 10 ALA CB C 13 18.41 . . 1 . . . . . 10 A CB . 50152 1 39 . 1 . 1 10 10 ALA N N 15 121.8 . . 1 . . . . . 10 A N . 50152 1 40 . 1 . 1 11 11 THR C C 13 177.2 . . 1 . . . . . 11 T C . 50152 1 41 . 1 . 1 11 11 THR CA C 13 66.27 . . 1 . . . . . 11 T CA . 50152 1 42 . 1 . 1 11 11 THR CB C 13 68.36 . . 1 . . . . . 11 T CB . 50152 1 43 . 1 . 1 11 11 THR CG2 C 13 21.79 . . 1 . . . . . 11 T CG2 . 50152 1 44 . 1 . 1 11 11 THR N N 15 115.2 . . 1 . . . . . 11 T N . 50152 1 45 . 1 . 1 12 12 GLU C C 13 179.3 . . 1 . . . . . 12 E C . 50152 1 46 . 1 . 1 12 12 GLU CA C 13 59.54 . . 1 . . . . . 12 E CA . 50152 1 47 . 1 . 1 12 12 GLU CB C 13 29.41 . . 1 . . . . . 12 E CB . 50152 1 48 . 1 . 1 12 12 GLU CG C 13 35.68 . . 1 . . . . . 12 E CG . 50152 1 49 . 1 . 1 12 12 GLU CD C 13 179.3 . . 1 . . . . . 12 E CD . 50152 1 50 . 1 . 1 13 13 ALA C C 13 179.8 . . 1 . . . . . 13 A C . 50152 1 51 . 1 . 1 13 13 ALA CA C 13 55.12 . . 1 . . . . . 13 A CA . 50152 1 52 . 1 . 1 13 13 ALA CB C 13 19.83 . . 1 . . . . . 13 A CB . 50152 1 53 . 1 . 1 14 14 MET C C 13 179.0 . . 1 . . . . . 14 M C . 50152 1 54 . 1 . 1 14 14 MET CA C 13 57.06 . . 1 . . . . . 14 M CA . 50152 1 55 . 1 . 1 14 14 MET CB C 13 30.47 . . 1 . . . . . 14 M CB . 50152 1 56 . 1 . 1 14 14 MET N N 15 117.9 . . 1 . . . . . 14 M N . 50152 1 57 . 1 . 1 15 15 ASP C C 13 179.0 . . 1 . . . . . 15 D C . 50152 1 58 . 1 . 1 15 15 ASP CA C 13 57.59 . . 1 . . . . . 15 D CA . 50152 1 59 . 1 . 1 15 15 ASP CB C 13 41.08 . . 1 . . . . . 15 D CB . 50152 1 60 . 1 . 1 15 15 ASP CG C 13 181.0 . . 1 . . . . . 15 D CG . 50152 1 61 . 1 . 1 15 15 ASP N N 15 121.3 . . 1 . . . . . 15 D N . 50152 1 62 . 1 . 1 16 16 SER C C 13 177.7 . . 1 . . . . . 16 S C . 50152 1 63 . 1 . 1 16 16 SER CA C 13 61.12 . . 1 . . . . . 16 S CA . 50152 1 64 . 1 . 1 16 16 SER CB C 13 63.24 . . 1 . . . . . 16 S CB . 50152 1 65 . 1 . 1 16 16 SER N N 15 116.1 . . 1 . . . . . 16 S N . 50152 1 66 . 1 . 1 17 17 LEU C C 13 177.9 . . 1 . . . . . 17 L C . 50152 1 67 . 1 . 1 17 17 LEU CA C 13 58.11 . . 1 . . . . . 17 L CA . 50152 1 68 . 1 . 1 17 17 LEU CB C 13 43.29 . . 1 . . . . . 17 L CB . 50152 1 69 . 1 . 1 17 17 LEU CG C 13 26.84 . . 1 . . . . . 17 L CG . 50152 1 70 . 1 . 1 17 17 LEU CD1 C 13 24.02 . . 1 . . . . . 17 L CD1 . 50152 1 71 . 1 . 1 17 17 LEU N N 15 121.9 . . 1 . . . . . 17 L N . 50152 1 72 . 1 . 1 18 18 LYS C C 13 178.2 . . 1 . . . . . 18 K C . 50152 1 73 . 1 . 1 18 18 LYS CA C 13 61.02 . . 1 . . . . . 18 K CA . 50152 1 74 . 1 . 1 18 18 LYS CB C 13 32.3 . . 1 . . . . . 18 K CB . 50152 1 75 . 1 . 1 18 18 LYS CG C 13 25.43 . . 1 . . . . . 18 K CG . 50152 1 76 . 1 . 1 18 18 LYS CD C 13 29.51 . . 1 . . . . . 18 K CD . 50152 1 77 . 1 . 1 18 18 LYS CE C 13 41.89 . . 1 . . . . . 18 K CE . 50152 1 78 . 1 . 1 18 18 LYS N N 15 119.6 . . 1 . . . . . 18 K N . 50152 1 79 . 1 . 1 19 19 THR C C 13 177.1 . . 1 . . . . . 19 T C . 50152 1 80 . 1 . 1 19 19 THR CA C 13 66.77 . . 1 . . . . . 19 T CA . 50152 1 81 . 1 . 1 19 19 THR CB C 13 68.94 . . 1 . . . . . 19 T CB . 50152 1 82 . 1 . 1 19 19 THR CG2 C 13 21.98 . . 1 . . . . . 19 T CG2 . 50152 1 83 . 1 . 1 19 19 THR N N 15 114.6 . . 1 . . . . . 19 T N . 50152 1 84 . 1 . 1 20 20 GLN C C 13 179.3 . . 1 . . . . . 20 Q C . 50152 1 85 . 1 . 1 20 20 GLN CA C 13 59.4 . . 1 . . . . . 20 Q CA . 50152 1 86 . 1 . 1 20 20 GLN CB C 13 29.42 . . 1 . . . . . 20 Q CB . 50152 1 87 . 1 . 1 20 20 GLN CG C 13 36.5 . . 1 . . . . . 20 Q CG . 50152 1 88 . 1 . 1 20 20 GLN CD C 13 183.6 . . 1 . . . . . 20 Q CD . 50152 1 89 . 1 . 1 20 20 GLN N N 15 121.0 . . 1 . . . . . 20 Q N . 50152 1 90 . 1 . 1 21 21 ALA C C 13 178.5 . . 1 . . . . . 21 A C . 50152 1 91 . 1 . 1 21 21 ALA CA C 13 55.73 . . 1 . . . . . 21 A CA . 50152 1 92 . 1 . 1 21 21 ALA CB C 13 17.57 . . 1 . . . . . 21 A CB . 50152 1 93 . 1 . 1 21 21 ALA N N 15 123.5 . . 1 . . . . . 21 A N . 50152 1 94 . 1 . 1 22 22 ILE C C 13 179.2 . . 1 . . . . . 22 I C . 50152 1 95 . 1 . 1 22 22 ILE CA C 13 65.91 . . 1 . . . . . 22 I CA . 50152 1 96 . 1 . 1 22 22 ILE CB C 13 38.16 . . 1 . . . . . 22 I CB . 50152 1 97 . 1 . 1 22 22 ILE CG1 C 13 30.29 . . 1 . . . . . 22 I CG1 . 50152 1 98 . 1 . 1 22 22 ILE CG2 C 13 17.19 . . 1 . . . . . 22 I CG2 . 50152 1 99 . 1 . 1 22 22 ILE CD1 C 13 14.04 . . 1 . . . . . 22 I CD1 . 50152 1 100 . 1 . 1 22 22 ILE N N 15 118.8 . . 1 . . . . . 22 I N . 50152 1 101 . 1 . 1 23 23 ASP C C 13 179.0 . . 1 . . . . . 23 D C . 50152 1 102 . 1 . 1 23 23 ASP CA C 13 57.44 . . 1 . . . . . 23 D CA . 50152 1 103 . 1 . 1 23 23 ASP CB C 13 41.08 . . 1 . . . . . 23 D CB . 50152 1 104 . 1 . 1 23 23 ASP N N 15 120.9 . . 1 . . . . . 23 D N . 50152 1 105 . 1 . 1 24 24 LEU C C 13 181.0 . . 1 . . . . . 24 L C . 50152 1 106 . 1 . 1 24 24 LEU CA C 13 58.3 . . 1 . . . . . 24 L CA . 50152 1 107 . 1 . 1 24 24 LEU CB C 13 41.91 . . 1 . . . . . 24 L CB . 50152 1 108 . 1 . 1 24 24 LEU CG C 13 27.72 . . 1 . . . . . 24 L CG . 50152 1 109 . 1 . 1 24 24 LEU N N 15 121.5 . . 1 . . . . . 24 L N . 50152 1 110 . 1 . 1 25 25 ILE C C 13 178.9 . . 1 . . . . . 25 I C . 50152 1 111 . 1 . 1 25 25 ILE CA C 13 66.76 . . 1 . . . . . 25 I CA . 50152 1 112 . 1 . 1 25 25 ILE CB C 13 38.33 . . 1 . . . . . 25 I CB . 50152 1 113 . 1 . 1 25 25 ILE CG1 C 13 29.59 . . 1 . . . . . 25 I CG1 . 50152 1 114 . 1 . 1 25 25 ILE CG2 C 13 18.37 . . 1 . . . . . 25 I CG2 . 50152 1 115 . 1 . 1 25 25 ILE CD1 C 13 14.61 . . 1 . . . . . 25 I CD1 . 50152 1 116 . 1 . 1 25 25 ILE N N 15 124.4 . . 1 . . . . . 25 I N . 50152 1 117 . 1 . 1 26 26 SER C C 13 175.9 . . 1 . . . . . 26 S C . 50152 1 118 . 1 . 1 26 26 SER CA C 13 62.24 . . 1 . . . . . 26 S CA . 50152 1 119 . 1 . 1 26 26 SER CB C 13 62.94 . . 1 . . . . . 26 S CB . 50152 1 120 . 1 . 1 26 26 SER N N 15 116.7 . . 1 . . . . . 26 S N . 50152 1 121 . 1 . 1 27 27 GLN C C 13 177.4 . . 1 . . . . . 27 Q C . 50152 1 122 . 1 . 1 27 27 GLN CA C 13 56.55 . . 1 . . . . . 27 Q CA . 50152 1 123 . 1 . 1 27 27 GLN CB C 13 28.8 . . 1 . . . . . 27 Q CB . 50152 1 124 . 1 . 1 27 27 GLN CG C 13 33.75 . . 1 . . . . . 27 Q CG . 50152 1 125 . 1 . 1 27 27 GLN CD C 13 179.4 . . 1 . . . . . 27 Q CD . 50152 1 126 . 1 . 1 27 27 GLN N N 15 117.4 . . 1 . . . . . 27 Q N . 50152 1 127 . 1 . 1 28 28 THR C C 13 177.2 . . 1 . . . . . 28 T C . 50152 1 128 . 1 . 1 28 28 THR CA C 13 66.48 . . 1 . . . . . 28 T CA . 50152 1 129 . 1 . 1 28 28 THR CB C 13 68.48 . . 1 . . . . . 28 T CB . 50152 1 130 . 1 . 1 28 28 THR CG2 C 13 20.78 . . 1 . . . . . 28 T CG2 . 50152 1 131 . 1 . 1 28 28 THR N N 15 118.8 . . 1 . . . . . 28 T N . 50152 1 132 . 1 . 1 29 29 TRP C C 13 175.0 . . 1 . . . . . 29 W C . 50152 1 133 . 1 . 1 29 29 TRP CA C 13 63.8 . . 1 . . . . . 29 W CA . 50152 1 134 . 1 . 1 29 29 TRP CB C 13 28.36 . . 1 . . . . . 29 W CB . 50152 1 135 . 1 . 1 29 29 TRP CD1 C 13 127.3 . . 1 . . . . . 29 W CD1 . 50152 1 136 . 1 . 1 29 29 TRP CE2 C 13 139.8 . . 1 . . . . . 29 W CE2 . 50152 1 137 . 1 . 1 29 29 TRP N N 15 122.8 . . 1 . . . . . 29 W N . 50152 1 138 . 1 . 1 30 30 PRO C C 13 179.4 . . 1 . . . . . 30 P C . 50152 1 139 . 1 . 1 30 30 PRO CA C 13 65.73 . . 1 . . . . . 30 P CA . 50152 1 140 . 1 . 1 30 30 PRO CB C 13 32.08 . . 1 . . . . . 30 P CB . 50152 1 141 . 1 . 1 30 30 PRO CG C 13 28.49 . . 1 . . . . . 30 P CG . 50152 1 142 . 1 . 1 30 30 PRO CD C 13 50.64 . . 1 . . . . . 30 P CD . 50152 1 143 . 1 . 1 30 30 PRO N N 15 132.4 . . 1 . . . . . 30 P N . 50152 1 144 . 1 . 1 31 31 VAL C C 13 180.6 . . 1 . . . . . 31 V C . 50152 1 145 . 1 . 1 31 31 VAL CA C 13 62.95 . . 1 . . . . . 31 V CA . 50152 1 146 . 1 . 1 31 31 VAL CB C 13 33.37 . . 1 . . . . . 31 V CB . 50152 1 147 . 1 . 1 31 31 VAL CG1 C 13 22.47 . . 1 . . . . . 31 V CG1 . 50152 1 148 . 1 . 1 31 31 VAL CG2 C 13 20.67 . . 1 . . . . . 31 V CG2 . 50152 1 149 . 1 . 1 32 32 VAL C C 13 179.4 . . 1 . . . . . 32 V C . 50152 1 150 . 1 . 1 32 32 VAL CA C 13 65.61 . . 1 . . . . . 32 V CA . 50152 1 151 . 1 . 1 32 32 VAL CB C 13 31.94 . . 1 . . . . . 32 V CB . 50152 1 152 . 1 . 1 32 32 VAL CG1 C 13 22.49 . . 1 . . . . . 32 V CG1 . 50152 1 153 . 1 . 1 32 32 VAL CG2 C 13 20.69 . . 1 . . . . . 32 V CG2 . 50152 1 154 . 1 . 1 33 33 THR CA C 13 66.93 . . 1 . . . . . 33 T CA . 50152 1 155 . 1 . 1 33 33 THR N N 15 117.7 . . 1 . . . . . 33 T N . 50152 1 156 . 1 . 1 34 34 THR C C 13 176.6 . . 1 . . . . . 34 T C . 50152 1 157 . 1 . 1 34 34 THR CA C 13 67.78 . . 1 . . . . . 34 T CA . 50152 1 158 . 1 . 1 34 34 THR CB C 13 69.3 . . 1 . . . . . 34 T CB . 50152 1 159 . 1 . 1 34 34 THR CG2 C 13 20.82 . . 1 . . . . . 34 T CG2 . 50152 1 160 . 1 . 1 35 35 VAL C C 13 176.6 . . 1 . . . . . 35 V C . 50152 1 161 . 1 . 1 35 35 VAL CA C 13 67.34 . . 1 . . . . . 35 V CA . 50152 1 162 . 1 . 1 35 35 VAL CB C 13 31.39 . . 1 . . . . . 35 V CB . 50152 1 163 . 1 . 1 35 35 VAL CG1 C 13 23.44 . . 1 . . . . . 35 V CG1 . 50152 1 164 . 1 . 1 35 35 VAL CG2 C 13 21.95 . . 1 . . . . . 35 V CG2 . 50152 1 165 . 1 . 1 35 35 VAL N N 15 120.1 . . 1 . . . . . 35 V N . 50152 1 166 . 1 . 1 36 36 VAL C C 13 179.7 . . 1 . . . . . 36 V C . 50152 1 167 . 1 . 1 36 36 VAL CA C 13 65.79 . . 1 . . . . . 36 V CA . 50152 1 168 . 1 . 1 36 36 VAL CB C 13 32.7 . . 1 . . . . . 36 V CB . 50152 1 169 . 1 . 1 36 36 VAL CG1 C 13 24.59 . . 1 . . . . . 36 V CG1 . 50152 1 170 . 1 . 1 36 36 VAL CG2 C 13 22.0 . . 1 . . . . . 36 V CG2 . 50152 1 171 . 1 . 1 36 36 VAL N N 15 119.0 . . 1 . . . . . 36 V N . 50152 1 172 . 1 . 1 37 37 VAL C C 13 177.6 . . 1 . . . . . 37 V C . 50152 1 173 . 1 . 1 37 37 VAL CA C 13 68.05 . . 1 . . . . . 37 V CA . 50152 1 174 . 1 . 1 37 37 VAL CB C 13 31.08 . . 1 . . . . . 37 V CB . 50152 1 175 . 1 . 1 37 37 VAL CG1 C 13 24.52 . . 1 . . . . . 37 V CG1 . 50152 1 176 . 1 . 1 37 37 VAL CG2 C 13 21.91 . . 1 . . . . . 37 V CG2 . 50152 1 177 . 1 . 1 37 37 VAL N N 15 118.7 . . 1 . . . . . 37 V N . 50152 1 178 . 1 . 1 38 38 ALA C C 13 181.6 . . 1 . . . . . 38 A C . 50152 1 179 . 1 . 1 38 38 ALA CA C 13 55.97 . . 1 . . . . . 38 A CA . 50152 1 180 . 1 . 1 38 38 ALA CB C 13 19.92 . . 1 . . . . . 38 A CB . 50152 1 181 . 1 . 1 38 38 ALA N N 15 119.3 . . 1 . . . . . 38 A N . 50152 1 182 . 1 . 1 39 39 GLY C C 13 176.4 . . 1 . . . . . 39 G C . 50152 1 183 . 1 . 1 39 39 GLY CA C 13 47.39 . . 1 . . . . . 39 G CA . 50152 1 184 . 1 . 1 39 39 GLY N N 15 101.7 . . 1 . . . . . 39 G N . 50152 1 185 . 1 . 1 40 40 LEU C C 13 178.9 . . 1 . . . . . 40 L C . 50152 1 186 . 1 . 1 40 40 LEU CA C 13 57.39 . . 1 . . . . . 40 L CA . 50152 1 187 . 1 . 1 40 40 LEU CB C 13 41.63 . . 1 . . . . . 40 L CB . 50152 1 188 . 1 . 1 40 40 LEU N N 15 122.6 . . 1 . . . . . 40 L N . 50152 1 189 . 1 . 1 41 41 VAL C C 13 178.9 . . 1 . . . . . 41 V C . 50152 1 190 . 1 . 1 41 41 VAL CA C 13 67.47 . . 1 . . . . . 41 V CA . 50152 1 191 . 1 . 1 41 41 VAL CB C 13 31.45 . . 1 . . . . . 41 V CB . 50152 1 192 . 1 . 1 41 41 VAL CG1 C 13 24.07 . . 1 . . . . . 41 V CG1 . 50152 1 193 . 1 . 1 41 41 VAL CG2 C 13 22.09 . . 1 . . . . . 41 V CG2 . 50152 1 194 . 1 . 1 41 41 VAL N N 15 122.5 . . 1 . . . . . 41 V N . 50152 1 195 . 1 . 1 42 42 ILE C C 13 178.2 . . 1 . . . . . 42 I C . 50152 1 196 . 1 . 1 42 42 ILE CA C 13 66.89 . . 1 . . . . . 42 I CA . 50152 1 197 . 1 . 1 42 42 ILE CB C 13 38.07 . . 1 . . . . . 42 I CB . 50152 1 198 . 1 . 1 42 42 ILE CG1 C 13 29.87 . . 1 . . . . . 42 I CG1 . 50152 1 199 . 1 . 1 42 42 ILE CG2 C 13 17.75 . . 1 . . . . . 42 I CG2 . 50152 1 200 . 1 . 1 42 42 ILE CD1 C 13 13.73 . . 1 . . . . . 42 I CD1 . 50152 1 201 . 1 . 1 42 42 ILE N N 15 121.6 . . 1 . . . . . 42 I N . 50152 1 202 . 1 . 1 43 43 ARG C C 13 179.8 . . 1 . . . . . 43 R C . 50152 1 203 . 1 . 1 43 43 ARG CA C 13 60.48 . . 1 . . . . . 43 R CA . 50152 1 204 . 1 . 1 43 43 ARG CZ C 13 159.9 . . 1 . . . . . 43 R CZ . 50152 1 205 . 1 . 1 43 43 ARG N N 15 119.4 . . 1 . . . . . 43 R N . 50152 1 206 . 1 . 1 44 44 LEU C C 13 178.7 . . 1 . . . . . 44 L C . 50152 1 207 . 1 . 1 44 44 LEU CA C 13 58.21 . . 1 . . . . . 44 L CA . 50152 1 208 . 1 . 1 44 44 LEU CB C 13 43.43 . . 1 . . . . . 44 L CB . 50152 1 209 . 1 . 1 44 44 LEU CG C 13 27.04 . . 1 . . . . . 44 L CG . 50152 1 210 . 1 . 1 44 44 LEU CD1 C 13 25.73 . . 1 . . . . . 44 L CD1 . 50152 1 211 . 1 . 1 44 44 LEU CD2 C 13 25.79 . . 1 . . . . . 44 L CD2 . 50152 1 212 . 1 . 1 44 44 LEU N N 15 121.9 . . 1 . . . . . 44 L N . 50152 1 213 . 1 . 1 45 45 PHE C C 13 178.7 . . 1 . . . . . 45 F C . 50152 1 214 . 1 . 1 45 45 PHE CA C 13 61.44 . . 1 . . . . . 45 F CA . 50152 1 215 . 1 . 1 45 45 PHE CB C 13 39.32 . . 1 . . . . . 45 F CB . 50152 1 216 . 1 . 1 46 46 LYS C C 13 177.9 . . 1 . . . . . 46 K C . 50152 1 217 . 1 . 1 46 46 LYS CA C 13 61.0 . . 1 . . . . . 46 K CA . 50152 1 218 . 1 . 1 46 46 LYS CB C 13 32.4 . . 1 . . . . . 46 K CB . 50152 1 219 . 1 . 1 46 46 LYS CG C 13 26.68 . . 1 . . . . . 46 K CG . 50152 1 220 . 1 . 1 46 46 LYS CD C 13 30.41 . . 1 . . . . . 46 K CD . 50152 1 221 . 1 . 1 46 46 LYS N N 15 122.7 . . 1 . . . . . 46 K N . 50152 1 222 . 1 . 1 47 47 LYS C C 13 179.2 . . 1 . . . . . 47 K C . 50152 1 223 . 1 . 1 47 47 LYS CA C 13 59.36 . . 1 . . . . . 47 K CA . 50152 1 224 . 1 . 1 47 47 LYS CB C 13 33.14 . . 1 . . . . . 47 K CB . 50152 1 225 . 1 . 1 47 47 LYS N N 15 118.8 . . 1 . . . . . 47 K N . 50152 1 226 . 1 . 1 48 48 PHE C C 13 178.0 . . 1 . . . . . 48 F C . 50152 1 227 . 1 . 1 48 48 PHE CA C 13 63.64 . . 1 . . . . . 48 F CA . 50152 1 228 . 1 . 1 48 48 PHE CB C 13 37.2 . . 1 . . . . . 48 F CB . 50152 1 229 . 1 . 1 48 48 PHE CG C 13 143.8 . . 1 . . . . . 48 F CG . 50152 1 230 . 1 . 1 48 48 PHE CD1 C 13 130.7 . . 3 . . . . . 48 F CD1 . 50152 1 231 . 1 . 1 48 48 PHE CD2 C 13 130.7 . . 3 . . . . . 48 F CD2 . 50152 1 232 . 1 . 1 48 48 PHE N N 15 116.6 . . 1 . . . . . 48 F N . 50152 1 233 . 1 . 1 49 49 SER C C 13 176.2 . . 1 . . . . . 49 S C . 50152 1 234 . 1 . 1 49 49 SER CA C 13 62.88 . . 1 . . . . . 49 S CA . 50152 1 235 . 1 . 1 49 49 SER N N 15 114.5 . . 1 . . . . . 49 S N . 50152 1 236 . 1 . 1 50 50 SER CA C 13 60.77 . . 1 . . . . . 50 S CA . 50152 1 237 . 1 . 1 50 50 SER N N 15 113.2 . . 1 . . . . . 50 S N . 50152 1 stop_ save_