################################### # 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 6348 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'sequence A-subunit MNQGKIWTVVNPAIGIPALLGSVTVIAILVHLAILSHTTWFPAYWQGGVKKAA' _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 $sample_1 . 6348 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 MET N N 15 87.6 0.3 . . . . . . . . . . 6348 1 2 . 1 1 1 1 MET CA C 13 55.3 0.3 . . . . . . . . . . 6348 1 3 . 1 1 1 1 MET C C 13 169.8 0.3 . . . . . . . . . . 6348 1 4 . 1 1 1 1 MET CB C 13 31.2 0.3 . . . . . . . . . . 6348 1 5 . 1 1 1 1 MET CG C 13 27.8 0.3 . . . . . . . . . . 6348 1 6 . 1 1 2 2 ASN N N 15 123.5 0.3 . . . . . . . . . . 6348 1 7 . 1 1 2 2 ASN CA C 13 46.8 0.3 . . . . . . . . . . 6348 1 8 . 1 1 2 2 ASN C C 13 172.4 0.3 . . . . . . . . . . 6348 1 9 . 1 1 2 2 ASN CB C 13 34.9 0.3 . . . . . . . . . . 6348 1 10 . 1 1 3 3 GLN N N 15 112.8 0.3 . . . . . . . . . . 6348 1 11 . 1 1 3 3 GLN CA C 13 53.7 0.3 . . . . . . . . . . 6348 1 12 . 1 1 4 4 GLY N N 15 104.7 0.3 . . . . . . . . . . 6348 1 13 . 1 1 4 4 GLY CA C 13 42.6 0.3 . . . . . . . . . . 6348 1 14 . 1 1 4 4 GLY C C 13 170.9 0.3 . . . . . . . . . . 6348 1 15 . 1 1 5 5 LYS N N 15 113.6 0.3 . . . . . . . . . . 6348 1 16 . 1 1 6 6 ILE CA C 13 57.6 0.3 . . . . . . . . . . 6348 1 17 . 1 1 6 6 ILE C C 13 174.0 0.3 . . . . . . . . . . 6348 1 18 . 1 1 6 6 ILE CB C 13 36.5 0.3 . . . . . . . . . . 6348 1 19 . 1 1 6 6 ILE CG2 C 13 14.1 0.3 . . . . . . . . . . 6348 1 20 . 1 1 6 6 ILE CG1 C 13 25.3 0.3 . . . . . . . . . . 6348 1 21 . 1 1 6 6 ILE CD1 C 13 9.0 0.3 . . . . . . . . . . 6348 1 22 . 1 1 7 7 TRP N N 15 121.0 0.3 . . . . . . . . . . 6348 1 23 . 1 1 7 7 TRP CA C 13 51.4 0.3 . . . . . . . . . . 6348 1 24 . 1 1 7 7 TRP C C 13 172.0 0.3 . . . . . . . . . . 6348 1 25 . 1 1 7 7 TRP CB C 13 24.1 0.3 . . . . . . . . . . 6348 1 26 . 1 1 7 7 TRP CG C 13 109.1 0.3 . . . . . . . . . . 6348 1 27 . 1 1 7 7 TRP CD1 C 13 125.5 0.3 . . . . . . . . . . 6348 1 28 . 1 1 7 7 TRP NE1 N 15 135.6 0.3 . . . . . . . . . . 6348 1 29 . 1 1 7 7 TRP CE2 C 13 137.7 0.3 . . . . . . . . . . 6348 1 30 . 1 1 8 8 THR N N 15 110.2 0.3 . . . . . . . . . . 6348 1 31 . 1 1 8 8 THR CA C 13 56.7 0.3 . . . . . . . . . . 6348 1 32 . 1 1 8 8 THR C C 13 174.4 0.3 . . . . . . . . . . 6348 1 33 . 1 1 8 8 THR CB C 13 64.1 0.3 . . . . . . . . . . 6348 1 34 . 1 1 8 8 THR CG2 C 13 17.8 0.3 . . . . . . . . . . 6348 1 35 . 1 1 10 10 VAL N N 15 120.5 0.3 . . . . . . . . . . 6348 1 36 . 1 1 10 10 VAL CA C 13 57.2 0.3 . . . . . . . . . . 6348 1 37 . 1 1 10 10 VAL C C 13 170.3 0.3 . . . . . . . . . . 6348 1 38 . 1 1 10 10 VAL CB C 13 29.2 0.3 . . . . . . . . . . 6348 1 39 . 1 1 10 10 VAL CG1 C 13 17.7 0.3 . . . . . . . . . . 6348 1 40 . 1 1 10 10 VAL CG2 C 13 19.0 0.3 . . . . . . . . . . 6348 1 41 . 1 1 11 11 ASN N N 15 125.0 0.3 . . . . . . . . . . 6348 1 42 . 1 1 11 11 ASN CA C 13 48.0 0.3 . . . . . . . . . . 6348 1 43 . 1 1 11 11 ASN C C 13 173.6 0.3 . . . . . . . . . . 6348 1 44 . 1 1 11 11 ASN CB C 13 37.6 0.3 . . . . . . . . . . 6348 1 45 . 1 1 11 11 ASN CG C 13 176.3 0.3 . . . . . . . . . . 6348 1 46 . 1 1 12 12 PRO N N 15 144.8 0.3 . . . . . . . . . . 6348 1 47 . 1 1 12 12 PRO CA C 13 61.5 0.3 . . . . . . . . . . 6348 1 48 . 1 1 12 12 PRO C C 13 172.9 0.3 . . . . . . . . . . 6348 1 49 . 1 1 12 12 PRO CB C 13 28.6 0.3 . . . . . . . . . . 6348 1 50 . 1 1 12 12 PRO CG C 13 22.9 0.3 . . . . . . . . . . 6348 1 51 . 1 1 12 12 PRO CD C 13 47.5 0.3 . . . . . . . . . . 6348 1 52 . 1 1 13 13 ALA N N 15 115.3 0.3 . . . . . . . . . . 6348 1 53 . 1 1 13 13 ALA CA C 13 51.5 0.3 . . . . . . . . . . 6348 1 54 . 1 1 13 13 ALA C C 13 177.1 0.3 . . . . . . . . . . 6348 1 55 . 1 1 13 13 ALA CB C 13 14.7 0.3 . . . . . . . . . . 6348 1 56 . 1 1 14 14 ILE N N 15 119.7 0.3 . . . . . . . . . . 6348 1 57 . 1 1 14 14 ILE CA C 13 61.1 0.3 . . . . . . . . . . 6348 1 58 . 1 1 14 14 ILE C C 13 174.6 0.3 . . . . . . . . . . 6348 1 59 . 1 1 14 14 ILE CB C 13 33.6 0.3 . . . . . . . . . . 6348 1 60 . 1 1 14 14 ILE CG2 C 13 14.5 0.3 . . . . . . . . . . 6348 1 61 . 1 1 14 14 ILE CG1 C 13 22.6 0.3 . . . . . . . . . . 6348 1 62 . 1 1 14 14 ILE CD1 C 13 12.0 0.3 . . . . . . . . . . 6348 1 63 . 1 1 15 15 GLY N N 15 105.0 0.3 . . . . . . . . . . 6348 1 64 . 1 1 15 15 GLY CA C 13 43.9 0.3 . . . . . . . . . . 6348 1 65 . 1 1 15 15 GLY C C 13 170.1 0.3 . . . . . . . . . . 6348 1 66 . 1 1 16 16 ILE N N 15 117.3 0.3 . . . . . . . . . . 6348 1 67 . 1 1 16 16 ILE CA C 13 62.9 0.3 . . . . . . . . . . 6348 1 68 . 1 1 16 16 ILE C C 13 171.4 0.3 . . . . . . . . . . 6348 1 69 . 1 1 16 16 ILE CB C 13 30.2 0.3 . . . . . . . . . . 6348 1 70 . 1 1 16 16 ILE CG2 C 13 12.7 0.3 . . . . . . . . . . 6348 1 71 . 1 1 16 16 ILE CG1 C 13 24.0 0.3 . . . . . . . . . . 6348 1 72 . 1 1 16 16 ILE CD1 C 13 8.8 0.3 . . . . . . . . . . 6348 1 73 . 1 1 17 17 PRO N N 15 131.7 0.3 . . . . . . . . . . 6348 1 74 . 1 1 17 17 PRO CA C 13 62.5 0.3 . . . . . . . . . . 6348 1 75 . 1 1 17 17 PRO C C 13 173.9 0.3 . . . . . . . . . . 6348 1 76 . 1 1 17 17 PRO CB C 13 28.2 0.3 . . . . . . . . . . 6348 1 77 . 1 1 17 17 PRO CG C 13 25.4 0.3 . . . . . . . . . . 6348 1 78 . 1 1 17 17 PRO CD C 13 45.5 0.3 . . . . . . . . . . 6348 1 79 . 1 1 18 18 ALA CA C 13 51.3 0.3 . . . . . . . . . . 6348 1 80 . 1 1 18 18 ALA CB C 13 14.9 0.3 . . . . . . . . . . 6348 1 81 . 1 1 19 19 LEU CB C 13 37.2 0.3 . . . . . . . . . . 6348 1 82 . 1 1 19 19 LEU CG C 13 22.0 0.3 . . . . . . . . . . 6348 1 83 . 1 1 19 19 LEU CD1 C 13 20.0 0.3 . . . . . . . . . . 6348 1 84 . 1 1 19 19 LEU CD2 C 13 18.5 0.3 . . . . . . . . . . 6348 1 85 . 1 1 20 20 LEU N N 15 120.2 0.3 . . . . . . . . . . 6348 1 86 . 1 1 20 20 LEU CA C 13 49.6 0.3 . . . . . . . . . . 6348 1 87 . 1 1 20 20 LEU C C 13 174.5 0.3 . . . . . . . . . . 6348 1 88 . 1 1 20 20 LEU CB C 13 41.5 0.3 . . . . . . . . . . 6348 1 89 . 1 1 20 20 LEU CG C 13 23.6 0.3 . . . . . . . . . . 6348 1 90 . 1 1 20 20 LEU CD1 C 13 23.6 0.3 . . . . . . . . . . 6348 1 91 . 1 1 20 20 LEU CD2 C 13 18.6 0.3 . . . . . . . . . . 6348 1 92 . 1 1 21 21 GLY N N 15 108.8 0.3 . . . . . . . . . . 6348 1 93 . 1 1 21 21 GLY CA C 13 44.3 0.3 . . . . . . . . . . 6348 1 94 . 1 1 21 21 GLY C C 13 172.1 0.3 . . . . . . . . . . 6348 1 95 . 1 1 22 22 SER N N 15 118.8 0.3 . . . . . . . . . . 6348 1 96 . 1 1 22 22 SER CA C 13 59.8 0.3 . . . . . . . . . . 6348 1 97 . 1 1 22 22 SER C C 13 171.5 0.3 . . . . . . . . . . 6348 1 98 . 1 1 22 22 SER CB C 13 60.7 0.3 . . . . . . . . . . 6348 1 99 . 1 1 23 23 VAL N N 15 120.6 0.3 . . . . . . . . . . 6348 1 100 . 1 1 23 23 VAL CA C 13 63.9 0.3 . . . . . . . . . . 6348 1 101 . 1 1 23 23 VAL C C 13 173.3 0.3 . . . . . . . . . . 6348 1 102 . 1 1 23 23 VAL CB C 13 29.1 0.3 . . . . . . . . . . 6348 1 103 . 1 1 23 23 VAL CG1 C 13 18.3 0.3 . . . . . . . . . . 6348 1 104 . 1 1 23 23 VAL CG2 C 13 19.1 0.3 . . . . . . . . . . 6348 1 105 . 1 1 24 24 THR N N 15 115.0 0.3 . . . . . . . . . . 6348 1 106 . 1 1 24 24 THR CA C 13 64.1 0.3 . . . . . . . . . . 6348 1 107 . 1 1 24 24 THR CB C 13 65.2 0.3 . . . . . . . . . . 6348 1 108 . 1 1 25 25 VAL N N 15 122.9 0.3 . . . . . . . . . . 6348 1 109 . 1 1 25 25 VAL CA C 13 62.7 0.3 . . . . . . . . . . 6348 1 110 . 1 1 25 25 VAL C C 13 175.3 0.3 . . . . . . . . . . 6348 1 111 . 1 1 25 25 VAL CG1 C 13 17.6 0.3 . . . . . . . . . . 6348 1 112 . 1 1 25 25 VAL CG2 C 13 19.1 0.3 . . . . . . . . . . 6348 1 113 . 1 1 26 26 ILE N N 15 124.0 0.3 . . . . . . . . . . 6348 1 114 . 1 1 26 26 ILE CA C 13 58.4 0.3 . . . . . . . . . . 6348 1 115 . 1 1 26 26 ILE C C 13 170.4 0.3 . . . . . . . . . . 6348 1 116 . 1 1 26 26 ILE CB C 13 33.4 0.3 . . . . . . . . . . 6348 1 117 . 1 1 26 26 ILE CG2 C 13 12.3 0.3 . . . . . . . . . . 6348 1 118 . 1 1 26 26 ILE CG1 C 13 25.2 0.3 . . . . . . . . . . 6348 1 119 . 1 1 26 26 ILE CD1 C 13 10.45 0.3 . . . . . . . . . . 6348 1 120 . 1 1 27 27 ALA N N 15 120.8 0.3 . . . . . . . . . . 6348 1 121 . 1 1 27 27 ALA CA C 13 51.5 0.3 . . . . . . . . . . 6348 1 122 . 1 1 27 27 ALA C C 13 177.2 0.3 . . . . . . . . . . 6348 1 123 . 1 1 27 27 ALA CB C 13 15.3 0.3 . . . . . . . . . . 6348 1 124 . 1 1 28 28 ILE N N 15 119.3 0.3 . . . . . . . . . . 6348 1 125 . 1 1 28 28 ILE CA C 13 63.3 0.3 . . . . . . . . . . 6348 1 126 . 1 1 28 28 ILE C C 13 172.4 0.3 . . . . . . . . . . 6348 1 127 . 1 1 28 28 ILE CB C 13 34.3 0.3 . . . . . . . . . . 6348 1 128 . 1 1 28 28 ILE CG2 C 13 13.0 0.3 . . . . . . . . . . 6348 1 129 . 1 1 28 28 ILE CG1 C 13 26.3 0.3 . . . . . . . . . . 6348 1 130 . 1 1 28 28 ILE CD1 C 13 9.0 0.3 . . . . . . . . . . 6348 1 131 . 1 1 29 29 LEU N N 15 120.5 0.3 . . . . . . . . . . 6348 1 132 . 1 1 29 29 LEU CA C 13 54.3 0.3 . . . . . . . . . . 6348 1 133 . 1 1 29 29 LEU CB C 13 37.5 0.3 . . . . . . . . . . 6348 1 134 . 1 1 29 29 LEU CG C 13 22.6 0.3 . . . . . . . . . . 6348 1 135 . 1 1 29 29 LEU CD1 C 13 17.7 0.3 . . . . . . . . . . 6348 1 136 . 1 1 29 29 LEU CD2 C 13 19.1 0.3 . . . . . . . . . . 6348 1 137 . 1 1 30 30 VAL N N 15 118.3 0.3 . . . . . . . . . . 6348 1 138 . 1 1 30 30 VAL CA C 13 63.2 0.3 . . . . . . . . . . 6348 1 139 . 1 1 30 30 VAL C C 13 173.5 0.3 . . . . . . . . . . 6348 1 140 . 1 1 30 30 VAL CB C 13 26.9 0.3 . . . . . . . . . . 6348 1 141 . 1 1 30 30 VAL CG1 C 13 15.1 0.3 . . . . . . . . . . 6348 1 142 . 1 1 30 30 VAL CG2 C 13 17.4 0.3 . . . . . . . . . . 6348 1 143 . 1 1 31 31 HIS N N 15 112.4 0.3 . . . . . . . . . . 6348 1 144 . 1 1 31 31 HIS CA C 13 58.5 0.3 . . . . . . . . . . 6348 1 145 . 1 1 31 31 HIS C C 13 173.0 0.3 . . . . . . . . . . 6348 1 146 . 1 1 31 31 HIS CB C 13 23.4 0.3 . . . . . . . . . . 6348 1 147 . 1 1 31 31 HIS CG C 13 125.1 0.3 . . . . . . . . . . 6348 1 148 . 1 1 31 31 HIS CD2 C 13 118.2 0.3 . . . . . . . . . . 6348 1 149 . 1 1 31 31 HIS NE2 N 15 168.1 0.3 . . . . . . . . . . 6348 1 150 . 1 1 32 32 LEU CA C 13 53.8 0.3 . . . . . . . . . . 6348 1 151 . 1 1 32 32 LEU C C 13 173.7 0.3 . . . . . . . . . . 6348 1 152 . 1 1 32 32 LEU CB C 13 38.0 0.3 . . . . . . . . . . 6348 1 153 . 1 1 32 32 LEU CG C 13 23.2 0.3 . . . . . . . . . . 6348 1 154 . 1 1 32 32 LEU CD1 C 13 16.5 0.3 . . . . . . . . . . 6348 1 155 . 1 1 32 32 LEU CD2 C 13 21.6 0.3 . . . . . . . . . . 6348 1 156 . 1 1 33 33 ALA N N 15 120.4 0.3 . . . . . . . . . . 6348 1 157 . 1 1 33 33 ALA CA C 13 51.6 0.3 . . . . . . . . . . 6348 1 158 . 1 1 33 33 ALA C C 13 176.4 0.3 . . . . . . . . . . 6348 1 159 . 1 1 33 33 ALA CB C 13 13.2 0.3 . . . . . . . . . . 6348 1 160 . 1 1 34 34 ILE N N 15 121.4 0.3 . . . . . . . . . . 6348 1 161 . 1 1 34 34 ILE CA C 13 62.4 0.3 . . . . . . . . . . 6348 1 162 . 1 1 34 34 ILE C C 13 172.9 0.3 . . . . . . . . . . 6348 1 163 . 1 1 34 34 ILE CB C 13 33.7 0.3 . . . . . . . . . . 6348 1 164 . 1 1 34 34 ILE CG2 C 13 13.3 0.3 . . . . . . . . . . 6348 1 165 . 1 1 34 34 ILE CG1 C 13 25.3 0.3 . . . . . . . . . . 6348 1 166 . 1 1 34 34 ILE CD1 C 13 10.6 0.3 . . . . . . . . . . 6348 1 167 . 1 1 35 35 LEU N N 15 119.0 0.3 . . . . . . . . . . 6348 1 168 . 1 1 35 35 LEU CA C 13 54.4 0.3 . . . . . . . . . . 6348 1 169 . 1 1 35 35 LEU CB C 13 37.9 0.3 . . . . . . . . . . 6348 1 170 . 1 1 35 35 LEU CG C 13 22.7 0.3 . . . . . . . . . . 6348 1 171 . 1 1 35 35 LEU CD1 C 13 17.8 0.3 . . . . . . . . . . 6348 1 172 . 1 1 35 35 LEU CD2 C 13 20.6 0.3 . . . . . . . . . . 6348 1 173 . 1 1 36 36 SER N N 15 114.9 0.3 . . . . . . . . . . 6348 1 174 . 1 1 36 36 SER CA C 13 58.3 0.3 . . . . . . . . . . 6348 1 175 . 1 1 36 36 SER C C 13 173.1 0.3 . . . . . . . . . . 6348 1 176 . 1 1 36 36 SER CB C 13 59.8 0.3 . . . . . . . . . . 6348 1 177 . 1 1 38 38 THR N N 15 105.0 0.3 . . . . . . . . . . 6348 1 178 . 1 1 38 38 THR CA C 13 56.1 0.3 . . . . . . . . . . 6348 1 179 . 1 1 38 38 THR C C 13 170.6 0.3 . . . . . . . . . . 6348 1 180 . 1 1 38 38 THR CB C 13 70.6 0.3 . . . . . . . . . . 6348 1 181 . 1 1 39 39 THR N N 15 107.2 0.3 . . . . . . . . . . 6348 1 182 . 1 1 39 39 THR CA C 13 56.0 0.3 . . . . . . . . . . 6348 1 183 . 1 1 39 39 THR C C 13 169.0 0.3 . . . . . . . . . . 6348 1 184 . 1 1 39 39 THR CB C 13 64.1 0.3 . . . . . . . . . . 6348 1 185 . 1 1 40 40 TRP N N 15 118.6 0.3 . . . . . . . . . . 6348 1 186 . 1 1 40 40 TRP CA C 13 53.5 0.3 . . . . . . . . . . 6348 1 187 . 1 1 40 40 TRP C C 13 173.7 0.3 . . . . . . . . . . 6348 1 188 . 1 1 40 40 TRP CB C 13 25.9 0.3 . . . . . . . . . . 6348 1 189 . 1 1 40 40 TRP CG C 13 108.9 0.3 . . . . . . . . . . 6348 1 190 . 1 1 40 40 TRP CD1 C 13 119.7 0.3 . . . . . . . . . . 6348 1 191 . 1 1 40 40 TRP NE1 N 15 125.2 0.3 . . . . . . . . . . 6348 1 192 . 1 1 40 40 TRP CE2 C 13 134.9 0.3 . . . . . . . . . . 6348 1 193 . 1 1 41 41 PHE N N 15 122.4 0.3 . . . . . . . . . . 6348 1 194 . 1 1 41 41 PHE CA C 13 54.9 0.3 . . . . . . . . . . 6348 1 195 . 1 1 41 41 PHE C C 13 169.9 0.3 . . . . . . . . . . 6348 1 196 . 1 1 41 41 PHE CB C 13 30.8 0.3 . . . . . . . . . . 6348 1 197 . 1 1 41 41 PHE CG C 13 134.7 0.3 . . . . . . . . . . 6348 1 198 . 1 1 42 42 PRO N N 15 135.3 0.3 . . . . . . . . . . 6348 1 199 . 1 1 42 42 PRO CA C 13 63.0 0.3 . . . . . . . . . . 6348 1 200 . 1 1 42 42 PRO C C 13 174.5 0.3 . . . . . . . . . . 6348 1 201 . 1 1 42 42 PRO CB C 13 28.0 0.3 . . . . . . . . . . 6348 1 202 . 1 1 42 42 PRO CG C 13 25.0 0.3 . . . . . . . . . . 6348 1 203 . 1 1 42 42 PRO CD C 13 46.1 0.3 . . . . . . . . . . 6348 1 204 . 1 1 43 43 ALA N N 15 120.8 0.3 . . . . . . . . . . 6348 1 205 . 1 1 43 43 ALA CA C 13 50.4 0.3 . . . . . . . . . . 6348 1 206 . 1 1 43 43 ALA C C 13 178.8 0.3 . . . . . . . . . . 6348 1 207 . 1 1 43 43 ALA CB C 13 14.9 0.3 . . . . . . . . . . 6348 1 208 . 1 1 44 44 TYR N N 15 124.1 0.3 . . . . . . . . . . 6348 1 209 . 1 1 44 44 TYR CA C 13 51.6 0.3 . . . . . . . . . . 6348 1 210 . 1 1 44 44 TYR C C 13 177.2 0.3 . . . . . . . . . . 6348 1 211 . 1 1 44 44 TYR CB C 13 44.2 0.3 . . . . . . . . . . 6348 1 212 . 1 1 45 45 TRP N N 15 118.6 0.3 . . . . . . . . . . 6348 1 213 . 1 1 45 45 TRP CA C 13 54.0 0.3 . . . . . . . . . . 6348 1 214 . 1 1 45 45 TRP C C 13 173.6 0.3 . . . . . . . . . . 6348 1 215 . 1 1 45 45 TRP CB C 13 25.8 0.3 . . . . . . . . . . 6348 1 216 . 1 1 45 45 TRP CG C 13 105.3 0.3 . . . . . . . . . . 6348 1 217 . 1 1 45 45 TRP CD1 C 13 126.1 0.3 . . . . . . . . . . 6348 1 218 . 1 1 45 45 TRP NE1 N 15 133.7 0.3 . . . . . . . . . . 6348 1 219 . 1 1 45 45 TRP CE2 C 13 136.3 0.3 . . . . . . . . . . 6348 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 6348 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'sequence B-subunit ATLTAEQSEELHKYVIDGTRVFLGLALVAHFLAFSATPWLH' _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 $sample_1 . 6348 2 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 . 2 2 1 1 ALA N N 15 77.1 0.3 . . . . . . . . . . 6348 2 2 . 2 2 1 1 ALA CA C 13 47.5 0.3 . . . . . . . . . . 6348 2 3 . 2 2 1 1 ALA C C 13 171.2 0.3 . . . . . . . . . . 6348 2 4 . 2 2 1 1 ALA CB C 13 16.3 0.3 . . . . . . . . . . 6348 2 5 . 2 2 2 2 THR N N 15 108.9 0.3 . . . . . . . . . . 6348 2 6 . 2 2 2 2 THR CA C 13 58.8 0.3 . . . . . . . . . . 6348 2 7 . 2 2 2 2 THR C C 13 170.3 0.3 . . . . . . . . . . 6348 2 8 . 2 2 2 2 THR CB C 13 66.0 0.3 . . . . . . . . . . 6348 2 9 . 2 2 2 2 THR CG2 C 13 17.1 0.3 . . . . . . . . . . 6348 2 10 . 2 2 3 3 LEU N N 15 115.9 0.3 . . . . . . . . . . 6348 2 11 . 2 2 3 3 LEU CA C 13 54.4 0.3 . . . . . . . . . . 6348 2 12 . 2 2 3 3 LEU C C 13 177.1 0.3 . . . . . . . . . . 6348 2 13 . 2 2 3 3 LEU CB C 13 38.3 0.3 . . . . . . . . . . 6348 2 14 . 2 2 3 3 LEU CG C 13 24.1 0.3 . . . . . . . . . . 6348 2 15 . 2 2 3 3 LEU CD1 C 13 22.1 0.3 . . . . . . . . . . 6348 2 16 . 2 2 3 3 LEU CD2 C 13 18.4 0.3 . . . . . . . . . . 6348 2 17 . 2 2 4 4 THR N N 15 106.1 0.3 . . . . . . . . . . 6348 2 18 . 2 2 4 4 THR CA C 13 58.7 0.3 . . . . . . . . . . 6348 2 19 . 2 2 4 4 THR C C 13 170.6 0.3 . . . . . . . . . . 6348 2 20 . 2 2 4 4 THR CB C 13 66.8 0.3 . . . . . . . . . . 6348 2 21 . 2 2 4 4 THR CG2 C 13 16.8 0.3 . . . . . . . . . . 6348 2 22 . 2 2 5 5 ALA N N 15 118.0 0.3 . . . . . . . . . . 6348 2 23 . 2 2 5 5 ALA CA C 13 51.5 0.3 . . . . . . . . . . 6348 2 24 . 2 2 5 5 ALA CB C 13 14.3 0.3 . . . . . . . . . . 6348 2 25 . 2 2 6 6 GLU N N 15 118.1 0.3 . . . . . . . . . . 6348 2 26 . 2 2 6 6 GLU CA C 13 54.1 0.3 . . . . . . . . . . 6348 2 27 . 2 2 6 6 GLU C C 13 176.1 0.3 . . . . . . . . . . 6348 2 28 . 2 2 6 6 GLU CB C 13 25.9 0.3 . . . . . . . . . . 6348 2 29 . 2 2 6 6 GLU CG C 13 30.5 0.3 . . . . . . . . . . 6348 2 30 . 2 2 7 7 GLN N N 15 120.9 0.3 . . . . . . . . . . 6348 2 31 . 2 2 7 7 GLN CA C 13 48.2 0.3 . . . . . . . . . . 6348 2 32 . 2 2 7 7 GLN C C 13 174.0 0.3 . . . . . . . . . . 6348 2 33 . 2 2 7 7 GLN CB C 13 21.8 0.3 . . . . . . . . . . 6348 2 34 . 2 2 7 7 GLN CG C 13 26.8 0.3 . . . . . . . . . . 6348 2 35 . 2 2 8 8 SER N N 15 110.2 0.3 . . . . . . . . . . 6348 2 36 . 2 2 8 8 SER CA C 13 57.3 0.3 . . . . . . . . . . 6348 2 37 . 2 2 8 8 SER C C 13 173.6 0.3 . . . . . . . . . . 6348 2 38 . 2 2 8 8 SER CB C 13 59.6 0.3 . . . . . . . . . . 6348 2 39 . 2 2 10 10 GLU N N 15 117.2 0.3 . . . . . . . . . . 6348 2 40 . 2 2 10 10 GLU CA C 13 55.1 0.3 . . . . . . . . . . 6348 2 41 . 2 2 10 10 GLU C C 13 178.3 0.3 . . . . . . . . . . 6348 2 42 . 2 2 10 10 GLU CB C 13 25.2 0.3 . . . . . . . . . . 6348 2 43 . 2 2 10 10 GLU CG C 13 30.8 0.3 . . . . . . . . . . 6348 2 44 . 2 2 12 12 HIS N N 15 119.4 0.3 . . . . . . . . . . 6348 2 45 . 2 2 12 12 HIS CA C 13 56.0 0.3 . . . . . . . . . . 6348 2 46 . 2 2 12 12 HIS C C 13 173.8 0.3 . . . . . . . . . . 6348 2 47 . 2 2 12 12 HIS CB C 13 27.6 0.3 . . . . . . . . . . 6348 2 48 . 2 2 12 12 HIS CG C 13 132.9 0.3 . . . . . . . . . . 6348 2 49 . 2 2 12 12 HIS CD2 C 13 113.5 0.3 . . . . . . . . . . 6348 2 50 . 2 2 12 12 HIS NE2 N 15 166.4 0.3 . . . . . . . . . . 6348 2 51 . 2 2 13 13 LYS N N 15 114.5 0.3 . . . . . . . . . . 6348 2 52 . 2 2 13 13 LYS CA C 13 50.4 0.3 . . . . . . . . . . 6348 2 53 . 2 2 13 13 LYS C C 13 170.7 0.3 . . . . . . . . . . 6348 2 54 . 2 2 13 13 LYS CB C 13 31.0 0.3 . . . . . . . . . . 6348 2 55 . 2 2 13 13 LYS CG C 13 23.4 0.3 . . . . . . . . . . 6348 2 56 . 2 2 13 13 LYS CD C 13 27.8 0.3 . . . . . . . . . . 6348 2 57 . 2 2 15 15 VAL N N 15 114.2 0.3 . . . . . . . . . . 6348 2 58 . 2 2 15 15 VAL CA C 13 62.1 0.3 . . . . . . . . . . 6348 2 59 . 2 2 15 15 VAL CB C 13 27.7 0.3 . . . . . . . . . . 6348 2 60 . 2 2 15 15 VAL CG1 C 13 19.0 0.3 . . . . . . . . . . 6348 2 61 . 2 2 15 15 VAL CG2 C 13 17.1 0.3 . . . . . . . . . . 6348 2 62 . 2 2 16 16 ILE N N 15 123.6 0.3 . . . . . . . . . . 6348 2 63 . 2 2 16 16 ILE CA C 13 57.6 0.3 . . . . . . . . . . 6348 2 64 . 2 2 16 16 ILE C C 13 174.8 0.3 . . . . . . . . . . 6348 2 65 . 2 2 16 16 ILE CB C 13 31.1 0.3 . . . . . . . . . . 6348 2 66 . 2 2 16 16 ILE CG2 C 13 22.1 0.3 . . . . . . . . . . 6348 2 67 . 2 2 16 16 ILE CG1 C 13 12.9 0.3 . . . . . . . . . . 6348 2 68 . 2 2 16 16 ILE CD1 C 13 2.7 0.3 . . . . . . . . . . 6348 2 69 . 2 2 17 17 ASP N N 15 115.6 0.3 . . . . . . . . . . 6348 2 70 . 2 2 17 17 ASP CA C 13 50.0 0.3 . . . . . . . . . . 6348 2 71 . 2 2 17 17 ASP C C 13 173.6 0.3 . . . . . . . . . . 6348 2 72 . 2 2 17 17 ASP CB C 13 37.6 0.3 . . . . . . . . . . 6348 2 73 . 2 2 18 18 GLY N N 15 105.5 0.3 . . . . . . . . . . 6348 2 74 . 2 2 18 18 GLY CA C 13 44.2 0.3 . . . . . . . . . . 6348 2 75 . 2 2 18 18 GLY C C 13 170.8 0.3 . . . . . . . . . . 6348 2 76 . 2 2 19 19 THR N N 15 106.4 0.3 . . . . . . . . . . 6348 2 77 . 2 2 19 19 THR CA C 13 58.0 0.3 . . . . . . . . . . 6348 2 78 . 2 2 19 19 THR C C 13 176.0 0.3 . . . . . . . . . . 6348 2 79 . 2 2 19 19 THR CB C 13 65.8 0.3 . . . . . . . . . . 6348 2 80 . 2 2 19 19 THR CG2 C 13 17.5 0.3 . . . . . . . . . . 6348 2 81 . 2 2 20 20 ARG CA C 13 56.9 0.3 . . . . . . . . . . 6348 2 82 . 2 2 20 20 ARG C C 13 171.4 0.3 . . . . . . . . . . 6348 2 83 . 2 2 20 20 ARG CB C 13 26.8 0.3 . . . . . . . . . . 6348 2 84 . 2 2 20 20 ARG CG C 13 25.5 0.3 . . . . . . . . . . 6348 2 85 . 2 2 20 20 ARG CD C 13 41.1 0.3 . . . . . . . . . . 6348 2 86 . 2 2 20 20 ARG NE N 15 81.2 0.3 . . . . . . . . . . 6348 2 87 . 2 2 20 20 ARG CZ C 13 156.2 0.3 . . . . . . . . . . 6348 2 88 . 2 2 20 20 ARG NH1 N 15 76.6 0.3 . . . . . . . . . . 6348 2 89 . 2 2 20 20 ARG NH2 N 15 70.1 0.3 . . . . . . . . . . 6348 2 90 . 2 2 22 22 PHE N N 15 120.6 0.3 . . . . . . . . . . 6348 2 91 . 2 2 22 22 PHE CA C 13 54.4 0.3 . . . . . . . . . . 6348 2 92 . 2 2 22 22 PHE CB C 13 36.2 0.3 . . . . . . . . . . 6348 2 93 . 2 2 23 23 LEU CA C 13 53.9 0.3 . . . . . . . . . . 6348 2 94 . 2 2 23 23 LEU C C 13 174.5 0.3 . . . . . . . . . . 6348 2 95 . 2 2 23 23 LEU CB C 13 37.4 0.3 . . . . . . . . . . 6348 2 96 . 2 2 23 23 LEU CG C 13 23.9 0.3 . . . . . . . . . . 6348 2 97 . 2 2 23 23 LEU CD1 C 13 22.9 0.3 . . . . . . . . . . 6348 2 98 . 2 2 23 23 LEU CD2 C 13 18.8 0.3 . . . . . . . . . . 6348 2 99 . 2 2 24 24 GLY N N 15 106.3 0.3 . . . . . . . . . . 6348 2 100 . 2 2 24 24 GLY CA C 13 44.0 0.3 . . . . . . . . . . 6348 2 101 . 2 2 24 24 GLY C C 13 171.9 0.3 . . . . . . . . . . 6348 2 102 . 2 2 25 25 LEU N N 15 119.2 0.3 . . . . . . . . . . 6348 2 103 . 2 2 25 25 LEU CA C 13 54.0 0.3 . . . . . . . . . . 6348 2 104 . 2 2 25 25 LEU CB C 13 37.4 0.3 . . . . . . . . . . 6348 2 105 . 2 2 25 25 LEU CG C 13 23.6 0.3 . . . . . . . . . . 6348 2 106 . 2 2 25 25 LEU CD1 C 13 22.1 0.3 . . . . . . . . . . 6348 2 107 . 2 2 25 25 LEU CD2 C 13 19.5 0.3 . . . . . . . . . . 6348 2 108 . 2 2 26 26 ALA N N 15 120.8 0.3 . . . . . . . . . . 6348 2 109 . 2 2 26 26 ALA CA C 13 50.9 0.3 . . . . . . . . . . 6348 2 110 . 2 2 26 26 ALA CB C 13 13.9 0.3 . . . . . . . . . . 6348 2 111 . 2 2 27 27 LEU CA C 13 54.1 0.3 . . . . . . . . . . 6348 2 112 . 2 2 27 27 LEU CB C 13 37.5 0.3 . . . . . . . . . . 6348 2 113 . 2 2 28 28 VAL N N 15 120.2 0.3 . . . . . . . . . . 6348 2 114 . 2 2 28 28 VAL CA C 13 63.7 0.3 . . . . . . . . . . 6348 2 115 . 2 2 28 28 VAL C C 13 173.1 0.3 . . . . . . . . . . 6348 2 116 . 2 2 28 28 VAL CB C 13 27.4 0.3 . . . . . . . . . . 6348 2 117 . 2 2 28 28 VAL CG1 C 13 20.5 0.3 . . . . . . . . . . 6348 2 118 . 2 2 28 28 VAL CG2 C 13 17.6 0.3 . . . . . . . . . . 6348 2 119 . 2 2 29 29 ALA N N 15 120.3 0.3 . . . . . . . . . . 6348 2 120 . 2 2 29 29 ALA CA C 13 51.4 0.3 . . . . . . . . . . 6348 2 121 . 2 2 29 29 ALA C C 13 176.1 0.3 . . . . . . . . . . 6348 2 122 . 2 2 29 29 ALA CB C 13 14.4 0.3 . . . . . . . . . . 6348 2 123 . 2 2 30 30 HIS N N 15 113.1 0.3 . . . . . . . . . . 6348 2 124 . 2 2 30 30 HIS CA C 13 57.8 0.3 . . . . . . . . . . 6348 2 125 . 2 2 30 30 HIS C C 13 173.2 0.3 . . . . . . . . . . 6348 2 126 . 2 2 30 30 HIS CB C 13 23.4 0.3 . . . . . . . . . . 6348 2 127 . 2 2 30 30 HIS CG C 13 125.2 0.3 . . . . . . . . . . 6348 2 128 . 2 2 30 30 HIS CD2 C 13 118.8 0.3 . . . . . . . . . . 6348 2 129 . 2 2 30 30 HIS NE2 N 15 169.0 0.3 . . . . . . . . . . 6348 2 130 . 2 2 31 31 PHE N N 15 120.7 0.3 . . . . . . . . . . 6348 2 131 . 2 2 31 31 PHE CA C 13 59.6 0.3 . . . . . . . . . . 6348 2 132 . 2 2 31 31 PHE C C 13 173.5 0.3 . . . . . . . . . . 6348 2 133 . 2 2 31 31 PHE CB C 13 36.0 0.3 . . . . . . . . . . 6348 2 134 . 2 2 31 31 PHE CG C 13 136.2 0.3 . . . . . . . . . . 6348 2 135 . 2 2 32 32 LEU N N 15 117.4 0.3 . . . . . . . . . . 6348 2 136 . 2 2 32 32 LEU CA C 13 53.7 0.3 . . . . . . . . . . 6348 2 137 . 2 2 32 32 LEU CB C 13 38.3 0.3 . . . . . . . . . . 6348 2 138 . 2 2 32 32 LEU CG C 13 22.6 0.3 . . . . . . . . . . 6348 2 139 . 2 2 32 32 LEU CD1 C 13 20.4 0.3 . . . . . . . . . . 6348 2 140 . 2 2 32 32 LEU CD2 C 13 19.1 0.3 . . . . . . . . . . 6348 2 141 . 2 2 33 33 ALA N N 15 120.5 0.3 . . . . . . . . . . 6348 2 142 . 2 2 33 33 ALA CB C 13 15.5 0.3 . . . . . . . . . . 6348 2 143 . 2 2 33 33 ALA CA C 13 51.5 0.3 . . . . . . . . . . 6348 2 144 . 2 2 34 34 PHE N N 15 121.5 0.3 . . . . . . . . . . 6348 2 145 . 2 2 34 34 PHE CA C 13 58.3 0.3 . . . . . . . . . . 6348 2 146 . 2 2 34 34 PHE C C 13 175.8 0.3 . . . . . . . . . . 6348 2 147 . 2 2 34 34 PHE CB C 13 34.9 0.3 . . . . . . . . . . 6348 2 148 . 2 2 34 34 PHE CG C 13 134.7 0.3 . . . . . . . . . . 6348 2 149 . 2 2 35 35 SER N N 15 105.0 0.3 . . . . . . . . . . 6348 2 150 . 2 2 35 35 SER CA C 13 55.9 0.3 . . . . . . . . . . 6348 2 151 . 2 2 35 35 SER CB C 13 59.7 0.3 . . . . . . . . . . 6348 2 152 . 2 2 36 36 ALA N N 15 120.5 0.3 . . . . . . . . . . 6348 2 153 . 2 2 36 36 ALA CA C 13 50.5 0.3 . . . . . . . . . . 6348 2 154 . 2 2 36 36 ALA C C 13 173.8 0.3 . . . . . . . . . . 6348 2 155 . 2 2 36 36 ALA CB C 13 16.8 0.3 . . . . . . . . . . 6348 2 156 . 2 2 37 37 THR N N 15 108.6 0.3 . . . . . . . . . . 6348 2 157 . 2 2 37 37 THR CA C 13 57.3 0.3 . . . . . . . . . . 6348 2 158 . 2 2 37 37 THR C C 13 170.5 0.3 . . . . . . . . . . 6348 2 159 . 2 2 37 37 THR CB C 13 67.4 0.3 . . . . . . . . . . 6348 2 160 . 2 2 37 37 THR CG2 C 13 17.3 0.3 . . . . . . . . . . 6348 2 161 . 2 2 38 38 PRO N N 15 126.5 0.3 . . . . . . . . . . 6348 2 162 . 2 2 38 38 PRO CA C 13 58.9 0.3 . . . . . . . . . . 6348 2 163 . 2 2 38 38 PRO CB C 13 28.4 0.3 . . . . . . . . . . 6348 2 164 . 2 2 38 38 PRO CG C 13 25.2 0.3 . . . . . . . . . . 6348 2 165 . 2 2 38 38 PRO CD C 13 46.6 0.3 . . . . . . . . . . 6348 2 166 . 2 2 39 39 TRP N N 15 120.5 0.3 . . . . . . . . . . 6348 2 167 . 2 2 39 39 TRP CA C 13 55.0 0.3 . . . . . . . . . . 6348 2 168 . 2 2 39 39 TRP CB C 13 25.0 0.3 . . . . . . . . . . 6348 2 169 . 2 2 39 39 TRP CG C 13 108.5 0.3 . . . . . . . . . . 6348 2 170 . 2 2 39 39 TRP CD1 C 13 123.0 0.3 . . . . . . . . . . 6348 2 171 . 2 2 39 39 TRP NE1 N 15 128.2 0.3 . . . . . . . . . . 6348 2 172 . 2 2 39 39 TRP CE2 C 13 135.4 0.3 . . . . . . . . . . 6348 2 stop_ save_