################################### # 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_chainA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_chainA _Assigned_chem_shift_list.Entry_ID 25146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $275_K _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 13C-13C DARR' . . . 25146 1 2 '2D 13C-13C DARR' . . . 25146 1 3 '2D 13C-13C DARR' . . . 25146 1 4 '2D 13C-13C DARR' . . . 25146 1 5 '2D 15N-13C TEDOR' . . . 25146 1 6 '2D 13C-13C DARR' . . . 25146 1 7 '2D 13C-13C DARR' . . . 25146 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25146 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 2 2 ALA C C 13 178.2 0.3 . 1 . . . . 2 ALA CO . 25146 1 2 . 1 1 2 2 ALA CA C 13 52.7 0.3 . 1 . . . . 2 ALA CA . 25146 1 3 . 1 1 2 2 ALA CB C 13 19.1 0.3 . 1 . . . . 2 ALA CB . 25146 1 4 . 1 1 4 4 LEU C C 13 178.4 0.3 . 1 . . . . 4 LEU CO . 25146 1 5 . 1 1 4 4 LEU CA C 13 58.0 0.3 . 1 . . . . 4 LEU CA . 25146 1 6 . 1 1 4 4 LEU CB C 13 41.4 0.3 . 1 . . . . 4 LEU CB . 25146 1 7 . 1 1 4 4 LEU CG C 13 27.0 0.3 . 1 . . . . 4 LEU CG . 25146 1 8 . 1 1 4 4 LEU CD1 C 13 25.3 0.3 . 2 . . . . 4 LEU CD1 . 25146 1 9 . 1 1 4 4 LEU CD2 C 13 24.2 0.3 . 2 . . . . 4 LEU CD2 . 25146 1 10 . 1 1 6 6 LYS C C 13 179.9 0.3 . 1 . . . . 6 LYS CO . 25146 1 11 . 1 1 6 6 LYS CA C 13 59.5 0.3 . 1 . . . . 6 LYS CA . 25146 1 12 . 1 1 6 6 LYS CB C 13 32.6 0.3 . 1 . . . . 6 LYS CB . 25146 1 13 . 1 1 6 6 LYS CG C 13 25.8 0.3 . 1 . . . . 6 LYS CG . 25146 1 14 . 1 1 6 6 LYS CD C 13 29.6 0.3 . 1 . . . . 6 LYS CD . 25146 1 15 . 1 1 6 6 LYS CE C 13 42.1 0.3 . 1 . . . . 6 LYS CE . 25146 1 16 . 1 1 7 7 LEU C C 13 178.0 0.3 . 1 . . . . 7 LEU CO . 25146 1 17 . 1 1 7 7 LEU CA C 13 57.9 0.3 . 1 . . . . 7 LEU CA . 25146 1 18 . 1 1 7 7 LEU CB C 13 42.0 0.3 . 1 . . . . 7 LEU CB . 25146 1 19 . 1 1 7 7 LEU CG C 13 26.9 0.1 . 1 . . . . 7 LEU CG . 25146 1 20 . 1 1 7 7 LEU CD1 C 13 25.2 0.3 . 2 . . . . 7 LEU CD1 . 25146 1 21 . 1 1 7 7 LEU CD2 C 13 24.0 0.1 . 2 . . . . 7 LEU CD2 . 25146 1 22 . 1 1 7 7 LEU N N 15 121.6 0.3 . 1 . . . . 7 LEU N . 25146 1 23 . 1 1 8 8 MET C C 13 178.9 0.3 . 1 . . . . 8 MET CO . 25146 1 24 . 1 1 8 8 MET CA C 13 58.0 0.3 . 1 . . . . 8 MET CA . 25146 1 25 . 1 1 8 8 MET CB C 13 32.1 0.3 . 1 . . . . 8 MET CB . 25146 1 26 . 1 1 8 8 MET CG C 13 32.3 0.3 . 1 . . . . 8 MET CG . 25146 1 27 . 1 1 8 8 MET CE C 13 17.0 0.1 . 1 . . . . 8 MET CE . 25146 1 28 . 1 1 8 8 MET N N 15 118.7 0.3 . 1 . . . . 8 MET N . 25146 1 29 . 1 1 10 10 ALA C C 13 180.3 0.3 . 1 . . . . 10 ALA CO . 25146 1 30 . 1 1 10 10 ALA CA C 13 55.0 0.1 . 1 . . . . 10 ALA CA . 25146 1 31 . 1 1 10 10 ALA CB C 13 18.0 0.1 . 1 . . . . 10 ALA CB . 25146 1 32 . 1 1 10 10 ALA N N 15 123.2 0.3 . 1 . . . . 10 ALA N . 25146 1 33 . 1 1 11 11 PHE CA C 13 61.2 0.3 . 1 . . . . 11 PHE CA . 25146 1 34 . 1 1 11 11 PHE CB C 13 39.3 0.3 . 1 . . . . 11 PHE CB . 25146 1 35 . 1 1 11 11 PHE CG C 13 131.4 0.3 . 1 . . . . 11 PHE CG . 25146 1 36 . 1 1 14 14 LEU C C 13 177.0 0.4 . 1 . . . . 14 LEU CO . 25146 1 37 . 1 1 14 14 LEU CA C 13 55.7 0.4 . 1 . . . . 14 LEU CA . 25146 1 38 . 1 1 14 14 LEU CB C 13 42.1 0.3 . 1 . . . . 14 LEU CB . 25146 1 39 . 1 1 14 14 LEU CG C 13 26.6 0.3 . 1 . . . . 14 LEU CG . 25146 1 40 . 1 1 14 14 LEU CD1 C 13 26.6 0.3 . 2 . . . . 14 LEU CD1 . 25146 1 41 . 1 1 14 14 LEU CD2 C 13 23.3 0.3 . 2 . . . . 14 LEU CD2 . 25146 1 42 . 1 1 16 16 SER C C 13 173.0 0.5 . 1 . . . . 16 SER CO . 25146 1 43 . 1 1 16 16 SER CA C 13 56.8 0.3 . 1 . . . . 16 SER CA . 25146 1 44 . 1 1 16 16 SER CB C 13 65.2 0.3 . 1 . . . . 16 SER CB . 25146 1 45 . 1 1 17 17 PHE C C 13 175.8 0.3 . 1 . . . . 17 PHE CO . 25146 1 46 . 1 1 17 17 PHE CA C 13 57.1 0.3 . 1 . . . . 17 PHE CA . 25146 1 47 . 1 1 17 17 PHE CG C 13 131.7 0.3 . 1 . . . . 17 PHE CG . 25146 1 48 . 1 1 18 18 GLN C C 13 175.6 0.3 . 1 . . . . 18 GLN CO . 25146 1 49 . 1 1 18 18 GLN CA C 13 55.7 0.3 . 1 . . . . 18 GLN CA . 25146 1 50 . 1 1 18 18 GLN CB C 13 34.2 0.3 . 1 . . . . 18 GLN CB . 25146 1 51 . 1 1 18 18 GLN CG C 13 34.4 0.3 . 1 . . . . 18 GLN CG . 25146 1 52 . 1 1 18 18 GLN CD C 13 178.8 0.3 . 1 . . . . 18 GLN CD . 25146 1 53 . 1 1 19 19 GLN C C 13 176.0 0.3 . 1 . . . . 19 GLN CO . 25146 1 54 . 1 1 19 19 GLN CA C 13 56.0 0.3 . 1 . . . . 19 GLN CA . 25146 1 55 . 1 1 19 19 GLN CB C 13 34.2 0.3 . 1 . . . . 19 GLN CB . 25146 1 56 . 1 1 19 19 GLN CG C 13 34.2 0.1 . 1 . . . . 19 GLN CG . 25146 1 57 . 1 1 19 19 GLN CD C 13 178.6 0.3 . 1 . . . . 19 GLN CD . 25146 1 58 . 1 1 46 46 GLN C C 13 175.1 0.3 . 1 . . . . 46 GLN CO . 25146 1 59 . 1 1 46 46 GLN CA C 13 56.0 0.3 . 1 . . . . 46 GLN CA . 25146 1 60 . 1 1 46 46 GLN CB C 13 34.3 0.3 . 1 . . . . 46 GLN CB . 25146 1 61 . 1 1 46 46 GLN CG C 13 34.0 0.3 . 1 . . . . 46 GLN CG . 25146 1 62 . 1 1 46 46 GLN CD C 13 178.7 0.3 . 1 . . . . 46 GLN CD . 25146 1 63 . 1 1 47 47 GLN C C 13 172.5 0.3 . 1 . . . . 47 GLN CO . 25146 1 64 . 1 1 47 47 GLN CA C 13 53.7 0.3 . 1 . . . . 47 GLN CA . 25146 1 65 . 1 1 47 47 GLN CB C 13 29.1 0.3 . 1 . . . . 47 GLN CB . 25146 1 66 . 1 1 47 47 GLN CG C 13 33.4 0.3 . 1 . . . . 47 GLN CG . 25146 1 67 . 1 1 47 47 GLN CD C 13 180.4 0.3 . 1 . . . . 47 GLN CD . 25146 1 68 . 1 1 47 47 GLN N N 15 123.1 0.3 . 1 . . . . 47 GLN N . 25146 1 69 . 1 1 47 47 GLN NE2 N 15 111.4 0.3 . 1 . . . . 47 GLN NE2 . 25146 1 70 . 1 1 48 48 PRO C C 13 174.2 0.3 . 1 . . . . 48 PRO CO . 25146 1 71 . 1 1 48 48 PRO CA C 13 61.3 0.3 . 1 . . . . 48 PRO CA . 25146 1 72 . 1 1 48 48 PRO CB C 13 30.5 0.3 . 1 . . . . 48 PRO CB . 25146 1 73 . 1 1 48 48 PRO CG C 13 27.3 0.3 . 1 . . . . 48 PRO CG . 25146 1 74 . 1 1 48 48 PRO CD C 13 50.5 0.1 . 1 . . . . 48 PRO CD . 25146 1 75 . 1 1 48 48 PRO N N 15 136 1.0 . 1 . . . . 48 PRO N . 25146 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_chem_shift_list_chainB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_chainB _Assigned_chem_shift_list.Entry_ID 25146 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $275_K _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 13C-13C DARR' . . . 25146 2 2 '2D 13C-13C DARR' . . . 25146 2 3 '2D 13C-13C DARR' . . . 25146 2 4 '2D 13C-13C DARR' . . . 25146 2 5 '2D 15N-13C TEDOR' . . . 25146 2 6 '2D 13C-13C DARR' . . . 25146 2 7 '2D 13C-13C DARR' . . . 25146 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25146 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 . 1 1 2 2 ALA C C 13 178.2 0.3 . 1 . . . . 2 ALA CO . 25146 2 2 . 1 1 2 2 ALA CA C 13 52.7 0.3 . 1 . . . . 2 ALA CA . 25146 2 3 . 1 1 2 2 ALA CB C 13 19.1 0.3 . 1 . . . . 2 ALA CB . 25146 2 4 . 1 1 4 4 LEU C C 13 178.4 0.3 . 1 . . . . 4 LEU CO . 25146 2 5 . 1 1 4 4 LEU CA C 13 58.0 0.3 . 1 . . . . 4 LEU CA . 25146 2 6 . 1 1 4 4 LEU CB C 13 41.4 0.3 . 1 . . . . 4 LEU CB . 25146 2 7 . 1 1 4 4 LEU CG C 13 27.0 0.3 . 1 . . . . 4 LEU CG . 25146 2 8 . 1 1 4 4 LEU CD1 C 13 25.3 0.3 . 2 . . . . 4 LEU CD1 . 25146 2 9 . 1 1 4 4 LEU CD2 C 13 24.2 0.3 . 2 . . . . 4 LEU CD2 . 25146 2 10 . 1 1 6 6 LYS C C 13 179.9 0.3 . 1 . . . . 6 LYS CO . 25146 2 11 . 1 1 6 6 LYS CA C 13 59.5 0.3 . 1 . . . . 6 LYS CA . 25146 2 12 . 1 1 6 6 LYS CB C 13 32.6 0.3 . 1 . . . . 6 LYS CB . 25146 2 13 . 1 1 6 6 LYS CG C 13 25.8 0.3 . 1 . . . . 6 LYS CG . 25146 2 14 . 1 1 6 6 LYS CD C 13 29.6 0.3 . 1 . . . . 6 LYS CD . 25146 2 15 . 1 1 6 6 LYS CE C 13 42.1 0.3 . 1 . . . . 6 LYS CE . 25146 2 16 . 1 1 7 7 LEU C C 13 178.0 0.3 . 1 . . . . 7 LEU CO . 25146 2 17 . 1 1 7 7 LEU CA C 13 57.9 0.3 . 1 . . . . 7 LEU CA . 25146 2 18 . 1 1 7 7 LEU CB C 13 42.0 0.3 . 1 . . . . 7 LEU CB . 25146 2 19 . 1 1 7 7 LEU CG C 13 26.9 0.1 . 1 . . . . 7 LEU CG . 25146 2 20 . 1 1 7 7 LEU CD1 C 13 25.2 0.3 . 2 . . . . 7 LEU CD1 . 25146 2 21 . 1 1 7 7 LEU CD2 C 13 24.0 0.1 . 2 . . . . 7 LEU CD2 . 25146 2 22 . 1 1 7 7 LEU N N 15 121.6 0.3 . 1 . . . . 7 LEU N . 25146 2 23 . 1 1 8 8 MET C C 13 178.9 0.3 . 1 . . . . 8 MET CO . 25146 2 24 . 1 1 8 8 MET CA C 13 58.0 0.3 . 1 . . . . 8 MET CA . 25146 2 25 . 1 1 8 8 MET CB C 13 32.1 0.3 . 1 . . . . 8 MET CB . 25146 2 26 . 1 1 8 8 MET CG C 13 32.3 0.3 . 1 . . . . 8 MET CG . 25146 2 27 . 1 1 8 8 MET CE C 13 17.0 0.3 . 1 . . . . 8 MET CE . 25146 2 28 . 1 1 8 8 MET N N 15 118.7 0.3 . 1 . . . . 8 MET N . 25146 2 29 . 1 1 10 10 ALA C C 13 180.3 0.3 . 1 . . . . 10 ALA CO . 25146 2 30 . 1 1 10 10 ALA CA C 13 55.0 0.1 . 1 . . . . 10 ALA CA . 25146 2 31 . 1 1 10 10 ALA CB C 13 18.0 0.1 . 1 . . . . 10 ALA CB . 25146 2 32 . 1 1 10 10 ALA N N 15 123.2 0.3 . 1 . . . . 10 ALA N . 25146 2 33 . 1 1 11 11 PHE CA C 13 61.2 0.3 . 1 . . . . 11 PHE CA . 25146 2 34 . 1 1 11 11 PHE CB C 13 39.3 0.3 . 1 . . . . 11 PHE CB . 25146 2 35 . 1 1 11 11 PHE CG C 13 131.4 0.3 . 1 . . . . 11 PHE CG . 25146 2 36 . 1 1 14 14 LEU C C 13 177.0 0.4 . 1 . . . . 14 LEU CO . 25146 2 37 . 1 1 14 14 LEU CA C 13 55.7 0.4 . 1 . . . . 14 LEU CA . 25146 2 38 . 1 1 14 14 LEU CB C 13 42.1 0.3 . 1 . . . . 14 LEU CB . 25146 2 39 . 1 1 14 14 LEU CG C 13 26.6 0.3 . 1 . . . . 14 LEU CG . 25146 2 40 . 1 1 14 14 LEU CD1 C 13 26.6 0.3 . 2 . . . . 14 LEU CD1 . 25146 2 41 . 1 1 14 14 LEU CD2 C 13 23.3 0.3 . 2 . . . . 14 LEU CD2 . 25146 2 42 . 1 1 16 16 SER C C 13 173.0 0.5 . 1 . . . . 16 SER CO . 25146 2 43 . 1 1 16 16 SER CA C 13 58.9 0.3 . 1 . . . . 16 SER CA . 25146 2 44 . 1 1 16 16 SER CB C 13 62.8 0.3 . 1 . . . . 16 SER CB . 25146 2 45 . 1 1 17 17 PHE C C 13 174.3 0.3 . 1 . . . . 17 PHE CO . 25146 2 46 . 1 1 17 17 PHE CA C 13 56.6 0.3 . 1 . . . . 17 PHE CA . 25146 2 47 . 1 1 17 17 PHE CG C 13 131.7 0.3 . 1 . . . . 17 PHE CG . 25146 2 48 . 1 1 18 18 GLN C C 13 174.2 0.3 . 1 . . . . 18 GLN CO . 25146 2 49 . 1 1 18 18 GLN CA C 13 54.7 0.3 . 1 . . . . 18 GLN CA . 25146 2 50 . 1 1 18 18 GLN CB C 13 30.9 0.3 . 1 . . . . 18 GLN CB . 25146 2 51 . 1 1 18 18 GLN CG C 13 30.7 0.3 . 1 . . . . 18 GLN CG . 25146 2 52 . 1 1 18 18 GLN CD C 13 177.8 0.3 . 1 . . . . 18 GLN CD . 25146 2 53 . 1 1 19 19 GLN C C 13 174.2 0.3 . 1 . . . . 19 GLN CO . 25146 2 54 . 1 1 19 19 GLN CA C 13 53.9 0.3 . 1 . . . . 19 GLN CA . 25146 2 55 . 1 1 19 19 GLN CB C 13 31.1 0.4 . 1 . . . . 19 GLN CB . 25146 2 56 . 1 1 19 19 GLN CG C 13 30.6 0.3 . 1 . . . . 19 GLN CG . 25146 2 57 . 1 1 19 19 GLN CD C 13 177.6 0.3 . 1 . . . . 19 GLN CD . 25146 2 58 . 1 1 46 46 GLN C C 13 174.2 0.1 . 1 . . . . 46 GLN CO . 25146 2 59 . 1 1 46 46 GLN CA C 13 54.1 0.3 . 1 . . . . 46 GLN CA . 25146 2 60 . 1 1 46 46 GLN CB C 13 31.6 0.3 . 1 . . . . 46 GLN CB . 25146 2 61 . 1 1 46 46 GLN CG C 13 30.2 0.1 . 1 . . . . 46 GLN CG . 25146 2 62 . 1 1 46 46 GLN CD C 13 178.3 0.3 . 1 . . . . 46 GLN CD . 25146 2 63 . 1 1 47 47 GLN C C 13 173.0 0.5 . 1 . . . . 47 GLN CO . 25146 2 64 . 1 1 47 47 GLN CA C 13 53.0 0.3 . 1 . . . . 47 GLN CA . 25146 2 65 . 1 1 47 47 GLN CB C 13 30.3 0.3 . 1 . . . . 47 GLN CB . 25146 2 66 . 1 1 47 47 GLN CG C 13 34.3 0.3 . 1 . . . . 47 GLN CG . 25146 2 67 . 1 1 47 47 GLN CD C 13 178.6 0.3 . 1 . . . . 47 GLN CD . 25146 2 68 . 1 1 47 47 GLN N N 15 117.7 0.3 . 1 . . . . 47 GLN N . 25146 2 69 . 1 1 47 47 GLN NE2 N 15 107.7 0.3 . 1 . . . . 47 GLN NE2 . 25146 2 70 . 1 1 48 48 PRO C C 13 174.2 0.3 . 1 . . . . 48 PRO CO . 25146 2 71 . 1 1 48 48 PRO CA C 13 61.3 0.3 . 1 . . . . 48 PRO CA . 25146 2 72 . 1 1 48 48 PRO CB C 13 30.5 0.3 . 1 . . . . 48 PRO CB . 25146 2 73 . 1 1 48 48 PRO CG C 13 27.3 0.3 . 1 . . . . 48 PRO CG . 25146 2 74 . 1 1 48 48 PRO CD C 13 50.5 0.1 . 1 . . . . 48 PRO CD . 25146 2 75 . 1 1 48 48 PRO N N 15 136 1.0 . 1 . . . . 48 PRO N . 25146 2 stop_ save_