################################### # 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 30646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 1.0 _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 Estimation _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 CORD' . . . 30646 1 2 '2D NC TEDOR' . . . 30646 1 3 '3D NCCX-TEDOR' . . . 30646 1 4 '3D CCC CORD-CORD' . . . 30646 1 5 '2D NC NH-DIPSHIFT' . . . 30646 1 6 '2D CC Water-edited' . . . 30646 1 7 '1D 13C-19F REDOR' . . . 30646 1 8 '2D CORD' . . . 30646 1 9 '2D NC TEDOR' . . . 30646 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 2 2 PHE CA C 13 56.5 0.5 . 1 . . . . A 2 PHE CA . 30646 1 2 . 1 . 1 2 2 PHE CB C 13 36.4 0.5 . 1 . . . . A 2 PHE CB . 30646 1 3 . 1 . 1 3 3 GLU C C 13 174.8 0.5 . 1 . . . . A 3 GLU C . 30646 1 4 . 1 . 1 3 3 GLU CA C 13 52.9 0.5 . 1 . . . . A 3 GLU CA . 30646 1 5 . 1 . 1 3 3 GLU CB C 13 26.4 0.5 . 1 . . . . A 3 GLU CB . 30646 1 6 . 1 . 1 3 3 GLU CG C 13 33.9 0.5 . 1 . . . . A 3 GLU CG . 30646 1 7 . 1 . 1 3 3 GLU CD C 13 180.5 0.5 . 1 . . . . A 3 GLU CD . 30646 1 8 . 1 . 1 4 4 PRO C C 13 175.9 0.5 . 1 . . . . A 4 PRO C . 30646 1 9 . 1 . 1 4 4 PRO CA C 13 64.7 0.5 . 1 . . . . A 4 PRO CA . 30646 1 10 . 1 . 1 4 4 PRO CB C 13 30.4 0.5 . 1 . . . . A 4 PRO CB . 30646 1 11 . 1 . 1 4 4 PRO CG C 13 25.9 0.5 . 1 . . . . A 4 PRO CG . 30646 1 12 . 1 . 1 4 4 PRO CD C 13 48.7 0.5 . 1 . . . . A 4 PRO CD . 30646 1 13 . 1 . 1 4 4 PRO N N 15 136.9 1.0 . 1 . . . . A 4 PRO N . 30646 1 14 . 1 . 1 5 5 PHE CA C 13 56.9 0.5 . 1 . . . . A 5 PHE CA . 30646 1 15 . 1 . 1 5 5 PHE CB C 13 36.2 0.5 . 1 . . . . A 5 PHE CB . 30646 1 16 . 1 . 1 5 5 PHE CG C 13 135.9 0.5 . 1 . . . . A 5 PHE CG . 30646 1 17 . 1 . 1 5 5 PHE CD1 C 13 130 0.5 . 3 . . . . A 5 PHE CD1 . 30646 1 18 . 1 . 1 5 5 PHE CD2 C 13 130 0.5 . 3 . . . . A 5 PHE CD2 . 30646 1 19 . 1 . 1 5 5 PHE CE1 C 13 128.4 0.5 . 3 . . . . A 5 PHE CE1 . 30646 1 20 . 1 . 1 5 5 PHE CE2 C 13 128.4 0.5 . 3 . . . . A 5 PHE CE2 . 30646 1 21 . 1 . 1 6 6 GLN CA C 13 53.8 0.5 . 1 . . . . A 6 GLN CA . 30646 1 22 . 1 . 1 6 6 GLN CB C 13 27.1 0.5 . 1 . . . . A 6 GLN CB . 30646 1 23 . 1 . 1 6 6 GLN CG C 13 32.1 0.5 . 1 . . . . A 6 GLN CG . 30646 1 24 . 1 . 1 6 6 GLN CD C 13 178.1 0.5 . 1 . . . . A 6 GLN CD . 30646 1 25 . 1 . 1 7 7 ILE C C 13 176.4 0.5 . 1 . . . . A 7 ILE C . 30646 1 26 . 1 . 1 7 7 ILE CA C 13 64 0.5 . 1 . . . . A 7 ILE CA . 30646 1 27 . 1 . 1 7 7 ILE CB C 13 36.8 0.5 . 1 . . . . A 7 ILE CB . 30646 1 28 . 1 . 1 7 7 ILE CG1 C 13 28 0.5 . 1 . . . . A 7 ILE CG1 . 30646 1 29 . 1 . 1 7 7 ILE CG2 C 13 15.9 0.5 . 1 . . . . A 7 ILE CG2 . 30646 1 30 . 1 . 1 7 7 ILE CD1 C 13 12.3 0.5 . 1 . . . . A 7 ILE CD1 . 30646 1 31 . 1 . 1 7 7 ILE N N 15 122.6 1.0 . 1 . . . . A 7 ILE N . 30646 1 32 . 1 . 1 8 8 LEU C C 13 176.7 0.5 . 1 . . . . A 8 LEU C . 30646 1 33 . 1 . 1 8 8 LEU CA C 13 56.7 0.5 . 1 . . . . A 8 LEU CA . 30646 1 34 . 1 . 1 8 8 LEU CB C 13 39.6 0.5 . 1 . . . . A 8 LEU CB . 30646 1 35 . 1 . 1 8 8 LEU CG C 13 25.9 0.5 . 1 . . . . A 8 LEU CG . 30646 1 36 . 1 . 1 8 8 LEU CD1 C 13 24.9 0.5 . 1 . . . . A 8 LEU CD1 . 30646 1 37 . 1 . 1 8 8 LEU CD2 C 13 22.5 0.5 . 1 . . . . A 8 LEU CD2 . 30646 1 38 . 1 . 1 8 8 LEU N N 15 120.5 1.0 . 1 . . . . A 8 LEU N . 30646 1 39 . 1 . 1 9 9 SER C C 13 176.1 0.5 . 1 . . . . A 9 SER C . 30646 1 40 . 1 . 1 9 9 SER CA C 13 60.5 0.5 . 1 . . . . A 9 SER CA . 30646 1 41 . 1 . 1 9 9 SER CB C 13 60.9 0.5 . 1 . . . . A 9 SER CB . 30646 1 42 . 1 . 1 9 9 SER N N 15 116.7 1.0 . 1 . . . . A 9 SER N . 30646 1 43 . 1 . 1 10 10 ILE C C 13 175.8 0.5 . 1 . . . . A 10 ILE C . 30646 1 44 . 1 . 1 10 10 ILE CA C 13 63.7 0.5 . 1 . . . . A 10 ILE CA . 30646 1 45 . 1 . 1 10 10 ILE CB C 13 36.1 0.5 . 1 . . . . A 10 ILE CB . 30646 1 46 . 1 . 1 10 10 ILE CG1 C 13 27.7 0.5 . 1 . . . . A 10 ILE CG1 . 30646 1 47 . 1 . 1 10 10 ILE CG2 C 13 15.7 0.5 . 1 . . . . A 10 ILE CG2 . 30646 1 48 . 1 . 1 10 10 ILE CD1 C 13 12.4 0.5 . 1 . . . . A 10 ILE CD1 . 30646 1 49 . 1 . 1 10 10 ILE N N 15 119.2 1.0 . 1 . . . . A 10 ILE N . 30646 1 50 . 1 . 1 11 11 CYS C C 13 175.2 0.5 . 1 . . . . A 11 CYS C . 30646 1 51 . 1 . 1 11 11 CYS CA C 13 63.1 0.5 . 1 . . . . A 11 CYS CA . 30646 1 52 . 1 . 1 11 11 CYS CB C 13 25.3 0.5 . 1 . . . . A 11 CYS CB . 30646 1 53 . 1 . 1 11 11 CYS N N 15 118.7 1.0 . 1 . . . . A 11 CYS N . 30646 1 54 . 1 . 1 12 12 SER C C 13 175.4 0.5 . 1 . . . . A 12 SER C . 30646 1 55 . 1 . 1 12 12 SER CA C 13 60.3 0.5 . 1 . . . . A 12 SER CA . 30646 1 56 . 1 . 1 12 12 SER CB C 13 60.8 0.5 . 1 . . . . A 12 SER CB . 30646 1 57 . 1 . 1 12 12 SER N N 15 115.9 1.0 . 1 . . . . A 12 SER N . 30646 1 58 . 1 . 1 13 13 PHE C C 13 175.5 0.5 . 1 . . . . A 13 PHE C . 30646 1 59 . 1 . 1 13 13 PHE CA C 13 59.8 0.5 . 1 . . . . A 13 PHE CA . 30646 1 60 . 1 . 1 13 13 PHE CB C 13 37.6 0.5 . 1 . . . . A 13 PHE CB . 30646 1 61 . 1 . 1 13 13 PHE CG C 13 135.2 0.5 . 1 . . . . A 13 PHE CG . 30646 1 62 . 1 . 1 13 13 PHE CD1 C 13 129.1 0.5 . 3 . . . . A 13 PHE CD1 . 30646 1 63 . 1 . 1 13 13 PHE CD2 C 13 129.1 0.5 . 3 . . . . A 13 PHE CD2 . 30646 1 64 . 1 . 1 13 13 PHE CE1 C 13 128.6 0.5 . 3 . . . . A 13 PHE CE1 . 30646 1 65 . 1 . 1 13 13 PHE CE2 C 13 128.6 0.5 . 3 . . . . A 13 PHE CE2 . 30646 1 66 . 1 . 1 13 13 PHE N N 15 120.7 1.0 . 1 . . . . A 13 PHE N . 30646 1 67 . 1 . 1 14 14 ILE C C 13 176.6 0.5 . 1 . . . . A 14 ILE C . 30646 1 68 . 1 . 1 14 14 ILE CA C 13 63.6 0.5 . 1 . . . . A 14 ILE CA . 30646 1 69 . 1 . 1 14 14 ILE CB C 13 36.5 0.5 . 1 . . . . A 14 ILE CB . 30646 1 70 . 1 . 1 14 14 ILE CG1 C 13 27.9 0.5 . 1 . . . . A 14 ILE CG1 . 30646 1 71 . 1 . 1 14 14 ILE CG2 C 13 15.8 0.5 . 1 . . . . A 14 ILE CG2 . 30646 1 72 . 1 . 1 14 14 ILE CD1 C 13 12.1 0.5 . 1 . . . . A 14 ILE CD1 . 30646 1 73 . 1 . 1 14 14 ILE N N 15 119.2 1.0 . 1 . . . . A 14 ILE N . 30646 1 74 . 1 . 1 15 15 LEU C C 13 176.2 0.5 . 1 . . . . A 15 LEU C . 30646 1 75 . 1 . 1 15 15 LEU CA C 13 56.6 0.5 . 1 . . . . A 15 LEU CA . 30646 1 76 . 1 . 1 15 15 LEU CB C 13 39.8 0.5 . 1 . . . . A 15 LEU CB . 30646 1 77 . 1 . 1 15 15 LEU CG C 13 24.9 0.5 . 1 . . . . A 15 LEU CG . 30646 1 78 . 1 . 1 15 15 LEU CD1 C 13 24.9 0.5 . 1 . . . . A 15 LEU CD1 . 30646 1 79 . 1 . 1 15 15 LEU CD2 C 13 23.8 0.5 . 1 . . . . A 15 LEU CD2 . 30646 1 80 . 1 . 1 15 15 LEU N N 15 119.8 1.0 . 1 . . . . A 15 LEU N . 30646 1 81 . 1 . 1 16 16 SER C C 13 175 0.5 . 1 . . . . A 16 SER C . 30646 1 82 . 1 . 1 16 16 SER CA C 13 60.6 0.5 . 1 . . . . A 16 SER CA . 30646 1 83 . 1 . 1 16 16 SER CB C 13 60.9 0.5 . 1 . . . . A 16 SER CB . 30646 1 84 . 1 . 1 16 16 SER N N 15 116.1 1.0 . 1 . . . . A 16 SER N . 30646 1 85 . 1 . 1 17 17 ALA C C 13 176.5 0.5 . 1 . . . . A 17 ALA C . 30646 1 86 . 1 . 1 17 17 ALA CA C 13 53.6 0.5 . 1 . . . . A 17 ALA CA . 30646 1 87 . 1 . 1 17 17 ALA CB C 13 15.6 0.5 . 1 . . . . A 17 ALA CB . 30646 1 88 . 1 . 1 17 17 ALA N N 15 126 1.0 . 1 . . . . A 17 ALA N . 30646 1 89 . 1 . 1 18 18 LEU C C 13 175.3 0.5 . 1 . . . . A 18 LEU C . 30646 1 90 . 1 . 1 18 18 LEU CA C 13 56.2 0.5 . 1 . . . . A 18 LEU CA . 30646 1 91 . 1 . 1 18 18 LEU CB C 13 40.4 0.5 . 1 . . . . A 18 LEU CB . 30646 1 92 . 1 . 1 18 18 LEU CG C 13 25 0.5 . 1 . . . . A 18 LEU CG . 30646 1 93 . 1 . 1 18 18 LEU CD1 C 13 24.5 0.5 . 1 . . . . A 18 LEU CD1 . 30646 1 94 . 1 . 1 18 18 LEU CD2 C 13 21.5 0.5 . 1 . . . . A 18 LEU CD2 . 30646 1 95 . 1 . 1 18 18 LEU N N 15 119.9 1.0 . 1 . . . . A 18 LEU N . 30646 1 96 . 1 . 1 19 19 HIS C C 13 176.6 0.5 . 1 . . . . A 19 HIS C . 30646 1 97 . 1 . 1 19 19 HIS CA C 13 55.5 0.5 . 1 . . . . A 19 HIS CA . 30646 1 98 . 1 . 1 19 19 HIS CB C 13 26.2 0.5 . 1 . . . . A 19 HIS CB . 30646 1 99 . 1 . 1 19 19 HIS CG C 13 129.8 0.5 . 1 . . . . A 19 HIS CG . 30646 1 100 . 1 . 1 19 19 HIS CD2 C 13 118.1 0.5 . 1 . . . . A 19 HIS CD2 . 30646 1 101 . 1 . 1 19 19 HIS CE1 C 13 136.7 0.5 . 1 . . . . A 19 HIS CE1 . 30646 1 102 . 1 . 1 20 20 PHE C C 13 174.9 0.5 . 1 . . . . A 20 PHE C . 30646 1 103 . 1 . 1 20 20 PHE CA C 13 60 0.5 . 1 . . . . A 20 PHE CA . 30646 1 104 . 1 . 1 20 20 PHE CB C 13 37.4 0.5 . 1 . . . . A 20 PHE CB . 30646 1 105 . 1 . 1 20 20 PHE CG C 13 135 0.5 . 1 . . . . A 20 PHE CG . 30646 1 106 . 1 . 1 20 20 PHE CD1 C 13 129.1 0.5 . 3 . . . . A 20 PHE CD1 . 30646 1 107 . 1 . 1 20 20 PHE CD2 C 13 129.1 0.5 . 3 . . . . A 20 PHE CD2 . 30646 1 108 . 1 . 1 20 20 PHE CE1 C 13 128.3 0.5 . 3 . . . . A 20 PHE CE1 . 30646 1 109 . 1 . 1 20 20 PHE CE2 C 13 128.3 0.5 . 3 . . . . A 20 PHE CE2 . 30646 1 110 . 1 . 1 20 20 PHE N N 15 122.2 1.0 . 1 . . . . A 20 PHE N . 30646 1 111 . 1 . 1 21 21 MET C C 13 175.2 0.5 . 1 . . . . A 21 MET C . 30646 1 112 . 1 . 1 21 21 MET CA C 13 57.8 0.5 . 1 . . . . A 21 MET CA . 30646 1 113 . 1 . 1 21 21 MET CB C 13 30.8 0.5 . 1 . . . . A 21 MET CB . 30646 1 114 . 1 . 1 21 21 MET CG C 13 31.6 0.5 . 1 . . . . A 21 MET CG . 30646 1 115 . 1 . 1 21 21 MET N N 15 120.8 1.0 . 1 . . . . A 21 MET N . 30646 1 116 . 1 . 1 22 22 ALA C C 13 177 0.5 . 1 . . . . A 22 ALA C . 30646 1 117 . 1 . 1 22 22 ALA CA C 13 53.7 0.5 . 1 . . . . A 22 ALA CA . 30646 1 118 . 1 . 1 22 22 ALA CB C 13 16.5 0.5 . 1 . . . . A 22 ALA CB . 30646 1 119 . 1 . 1 22 22 ALA N N 15 122.6 1.0 . 1 . . . . A 22 ALA N . 30646 1 120 . 1 . 1 23 23 TRP C C 13 176.4 0.5 . 1 . . . . A 23 TRP C . 30646 1 121 . 1 . 1 23 23 TRP CA C 13 60.3 0.5 . 1 . . . . A 23 TRP CA . 30646 1 122 . 1 . 1 23 23 TRP CB C 13 26.4 0.5 . 1 . . . . A 23 TRP CB . 30646 1 123 . 1 . 1 23 23 TRP CG C 13 112.1 0.5 . 1 . . . . A 23 TRP CG . 30646 1 124 . 1 . 1 23 23 TRP CD1 C 13 121.4 0.5 . 1 . . . . A 23 TRP CD1 . 30646 1 125 . 1 . 1 23 23 TRP CE2 C 13 136.4 0.5 . 1 . . . . A 23 TRP CE2 . 30646 1 126 . 1 . 1 23 23 TRP N N 15 119.5 1.0 . 1 . . . . A 23 TRP N . 30646 1 127 . 1 . 1 24 24 THR C C 13 174.3 0.5 . 1 . . . . A 24 THR C . 30646 1 128 . 1 . 1 24 24 THR CA C 13 66 0.5 . 1 . . . . A 24 THR CA . 30646 1 129 . 1 . 1 24 24 THR CB C 13 66.3 0.5 . 1 . . . . A 24 THR CB . 30646 1 130 . 1 . 1 24 24 THR CG2 C 13 19.8 0.5 . 1 . . . . A 24 THR CG2 . 30646 1 131 . 1 . 1 24 24 THR N N 15 119.2 1.0 . 1 . . . . A 24 THR N . 30646 1 132 . 1 . 1 25 25 ILE C C 13 175.8 0.5 . 1 . . . . A 25 ILE C . 30646 1 133 . 1 . 1 25 25 ILE CA C 13 63.7 0.5 . 1 . . . . A 25 ILE CA . 30646 1 134 . 1 . 1 25 25 ILE CB C 13 36.1 0.5 . 1 . . . . A 25 ILE CB . 30646 1 135 . 1 . 1 25 25 ILE CG1 C 13 27.8 0.5 . 1 . . . . A 25 ILE CG1 . 30646 1 136 . 1 . 1 25 25 ILE CG2 C 13 15.9 0.5 . 1 . . . . A 25 ILE CG2 . 30646 1 137 . 1 . 1 25 25 ILE CD1 C 13 12.2 0.5 . 1 . . . . A 25 ILE CD1 . 30646 1 138 . 1 . 1 25 25 ILE N N 15 121.3 1.0 . 1 . . . . A 25 ILE N . 30646 1 139 . 1 . 1 26 26 GLY C C 13 174.5 0.5 . 1 . . . . A 26 GLY C . 30646 1 140 . 1 . 1 26 26 GLY CA C 13 45.3 0.5 . 1 . . . . A 26 GLY CA . 30646 1 141 . 1 . 1 26 26 GLY N N 15 107 1.0 . 1 . . . . A 26 GLY N . 30646 1 142 . 1 . 1 27 27 HIS C C 13 172.4 0.5 . 1 . . . . A 27 HIS C . 30646 1 143 . 1 . 1 27 27 HIS CA C 13 56.7 0.5 . 1 . . . . A 27 HIS CA . 30646 1 144 . 1 . 1 27 27 HIS CB C 13 26.5 0.5 . 1 . . . . A 27 HIS CB . 30646 1 145 . 1 . 1 27 27 HIS CG C 13 129.7 0.5 . 1 . . . . A 27 HIS CG . 30646 1 146 . 1 . 1 27 27 HIS CD2 C 13 118 0.5 . 1 . . . . A 27 HIS CD2 . 30646 1 147 . 1 . 1 27 27 HIS CE1 C 13 136.9 0.5 . 1 . . . . A 27 HIS CE1 . 30646 1 148 . 1 . 1 28 28 LEU C C 13 172.5 0.5 . 1 . . . . A 28 LEU C . 30646 1 149 . 1 . 1 28 28 LEU CA C 13 53.4 0.5 . 1 . . . . A 28 LEU CA . 30646 1 150 . 1 . 1 28 28 LEU CB C 13 40 0.5 . 1 . . . . A 28 LEU CB . 30646 1 151 . 1 . 1 28 28 LEU CG C 13 26.1 0.5 . 1 . . . . A 28 LEU CG . 30646 1 152 . 1 . 1 28 28 LEU CD1 C 13 24.3 0.5 . 2 . . . . A 28 LEU CD1 . 30646 1 153 . 1 . 1 28 28 LEU CD2 C 13 24.3 0.5 . 2 . . . . A 28 LEU CD2 . 30646 1 154 . 1 . 1 28 28 LEU N N 15 130 1.0 . 1 . . . . A 28 LEU N . 30646 1 155 . 1 . 1 29 29 ASN C C 13 171.9 0.5 . 1 . . . . A 29 ASN C . 30646 1 156 . 1 . 1 29 29 ASN CA C 13 50.7 0.5 . 1 . . . . A 29 ASN CA . 30646 1 157 . 1 . 1 29 29 ASN CB C 13 40 0.5 . 1 . . . . A 29 ASN CB . 30646 1 158 . 1 . 1 29 29 ASN CG C 13 174.5 0.5 . 1 . . . . A 29 ASN CG . 30646 1 159 . 1 . 1 29 29 ASN N N 15 127.7 1.0 . 1 . . . . A 29 ASN N . 30646 1 160 . 1 . 1 30 30 GLN C C 13 172.3 0.5 . 1 . . . . A 30 GLN C . 30646 1 161 . 1 . 1 30 30 GLN CA C 13 52.8 0.5 . 1 . . . . A 30 GLN CA . 30646 1 162 . 1 . 1 30 30 GLN CB C 13 32 0.5 . 1 . . . . A 30 GLN CB . 30646 1 163 . 1 . 1 30 30 GLN CG C 13 33.2 0.5 . 1 . . . . A 30 GLN CG . 30646 1 164 . 1 . 1 30 30 GLN CD C 13 176.4 0.5 . 1 . . . . A 30 GLN CD . 30646 1 165 . 1 . 1 30 30 GLN N N 15 125.8 1.0 . 1 . . . . A 30 GLN N . 30646 1 166 . 1 . 1 31 31 ILE C C 13 172.8 0.5 . 1 . . . . A 31 ILE C . 30646 1 167 . 1 . 1 31 31 ILE CA C 13 58.2 0.5 . 1 . . . . A 31 ILE CA . 30646 1 168 . 1 . 1 31 31 ILE CB C 13 40.3 0.5 . 1 . . . . A 31 ILE CB . 30646 1 169 . 1 . 1 31 31 ILE CG1 C 13 26.1 0.5 . 1 . . . . A 31 ILE CG1 . 30646 1 170 . 1 . 1 31 31 ILE CG2 C 13 15.4 0.5 . 1 . . . . A 31 ILE CG2 . 30646 1 171 . 1 . 1 31 31 ILE CD1 C 13 13.4 0.5 . 1 . . . . A 31 ILE CD1 . 30646 1 172 . 1 . 1 31 31 ILE N N 15 125.7 1.0 . 1 . . . . A 31 ILE N . 30646 1 173 . 1 . 1 32 32 LYS C C 13 173.2 0.5 . 1 . . . . A 32 LYS C . 30646 1 174 . 1 . 1 32 32 LYS CA C 13 52.7 0.5 . 1 . . . . A 32 LYS CA . 30646 1 175 . 1 . 1 32 32 LYS CB C 13 30.8 0.5 . 1 . . . . A 32 LYS CB . 30646 1 176 . 1 . 1 32 32 LYS CG C 13 26.1 0.5 . 1 . . . . A 32 LYS CG . 30646 1 177 . 1 . 1 32 32 LYS CD C 13 27.6 0.5 . 1 . . . . A 32 LYS CD . 30646 1 178 . 1 . 1 32 32 LYS CE C 13 40.2 0.5 . 1 . . . . A 32 LYS CE . 30646 1 179 . 1 . 1 32 32 LYS N N 15 127.1 1.0 . 1 . . . . A 32 LYS N . 30646 1 180 . 1 . 1 32 32 LYS NZ N 15 34.6 1.0 . 1 . . . . A 32 LYS NZ . 30646 1 181 . 1 . 1 33 33 ARG C C 13 175.9 0.5 . 1 . . . . A 33 ARG C . 30646 1 182 . 1 . 1 33 33 ARG CA C 13 53.3 0.5 . 1 . . . . A 33 ARG CA . 30646 1 183 . 1 . 1 33 33 ARG CB C 13 29.6 0.5 . 1 . . . . A 33 ARG CB . 30646 1 184 . 1 . 1 33 33 ARG CG C 13 25.8 0.5 . 1 . . . . A 33 ARG CG . 30646 1 185 . 1 . 1 33 33 ARG CD C 13 41.5 0.5 . 1 . . . . A 33 ARG CD . 30646 1 186 . 1 . 1 33 33 ARG CZ C 13 157.8 0.5 . 1 . . . . A 33 ARG CZ . 30646 1 187 . 1 . 1 33 33 ARG N N 15 131 1.0 . 1 . . . . A 33 ARG N . 30646 1 188 . 1 . 1 34 34 GLY C C 13 171.9 0.5 . 1 . . . . A 34 GLY C . 30646 1 189 . 1 . 1 34 34 GLY CA C 13 43.4 0.5 . 1 . . . . A 34 GLY CA . 30646 1 190 . 1 . 1 34 34 GLY N N 15 113.4 1.0 . 1 . . . . A 34 GLY N . 30646 1 191 . 1 . 1 35 35 VAL C C 13 171 0.5 . 1 . . . . A 35 VAL C . 30646 1 192 . 1 . 1 35 35 VAL CA C 13 59.8 0.5 . 1 . . . . A 35 VAL CA . 30646 1 193 . 1 . 1 35 35 VAL CB C 13 31.5 0.5 . 1 . . . . A 35 VAL CB . 30646 1 194 . 1 . 1 35 35 VAL CG1 C 13 19.9 0.5 . 2 . . . . A 35 VAL CG1 . 30646 1 195 . 1 . 1 35 35 VAL CG2 C 13 19.9 0.5 . 2 . . . . A 35 VAL CG2 . 30646 1 196 . 1 . 1 35 35 VAL N N 15 120.5 1.0 . 1 . . . . A 35 VAL N . 30646 1 197 . 1 . 1 36 36 ASN C C 13 172.1 0.5 . 1 . . . . A 36 ASN C . 30646 1 198 . 1 . 1 36 36 ASN CA C 13 51.1 0.5 . 1 . . . . A 36 ASN CA . 30646 1 199 . 1 . 1 36 36 ASN CB C 13 42.7 0.5 . 1 . . . . A 36 ASN CB . 30646 1 200 . 1 . 1 36 36 ASN CG C 13 174.4 0.5 . 1 . . . . A 36 ASN CG . 30646 1 201 . 1 . 1 36 36 ASN N N 15 123.7 1.0 . 1 . . . . A 36 ASN N . 30646 1 202 . 1 . 1 36 36 ASN ND2 N 15 117.5 1.0 . 1 . . . . A 36 ASN ND2 . 30646 1 203 . 1 . 1 37 37 MET CA C 13 55.3 0.5 . 1 . . . . A 37 MET CA . 30646 1 204 . 1 . 1 37 37 MET CB C 13 35.2 0.5 . 1 . . . . A 37 MET CB . 30646 1 205 . 1 . 1 37 37 MET CG C 13 30.4 0.5 . 1 . . . . A 37 MET CG . 30646 1 206 . 1 . 1 37 37 MET CE C 13 15.2 0.5 . 1 . . . . A 37 MET CE . 30646 1 207 . 1 . 1 37 37 MET N N 15 119.9 1.0 . 1 . . . . A 37 MET N . 30646 1 208 . 1 . 1 43 43 GLY CA C 13 42.7 0.5 . 1 . . . . A 43 GLY CA . 30646 1 209 . 1 . 1 43 43 GLY N N 15 114.1 1.0 . 1 . . . . A 43 GLY N . 30646 1 210 . 1 . 1 44 44 PRO C C 13 171.9 0.5 . 1 . . . . A 44 PRO C . 30646 1 211 . 1 . 1 44 44 PRO CA C 13 61.1 0.5 . 1 . . . . A 44 PRO CA . 30646 1 212 . 1 . 1 44 44 PRO CB C 13 31.3 0.5 . 1 . . . . A 44 PRO CB . 30646 1 213 . 1 . 1 44 44 PRO CG C 13 25.8 0.5 . 1 . . . . A 44 PRO CG . 30646 1 214 . 1 . 1 44 44 PRO CD C 13 48.4 0.5 . 1 . . . . A 44 PRO CD . 30646 1 215 . 1 . 1 44 44 PRO N N 15 132.4 1.0 . 1 . . . . A 44 PRO N . 30646 1 216 . 1 . 1 45 45 ASN CA C 13 51.6 0.5 . 1 . . . . A 45 ASN CA . 30646 1 217 . 1 . 1 45 45 ASN CB C 13 37.2 0.5 . 1 . . . . A 45 ASN CB . 30646 1 218 . 1 . 1 46 46 LYS CA C 13 55 0.5 . 1 . . . . A 46 LYS CA . 30646 1 219 . 1 . 1 46 46 LYS CB C 13 31.3 0.5 . 1 . . . . A 46 LYS CB . 30646 1 220 . 1 . 1 46 46 LYS CG C 13 23 0.5 . 1 . . . . A 46 LYS CG . 30646 1 221 . 1 . 1 46 46 LYS CD C 13 27.3 0.5 . 1 . . . . A 46 LYS CD . 30646 1 222 . 1 . 1 46 46 LYS CE C 13 40.3 0.5 . 1 . . . . A 46 LYS CE . 30646 1 223 . 1 . 1 47 47 GLU CA C 13 54.7 0.5 . 1 . . . . A 47 GLU CA . 30646 1 224 . 1 . 1 47 47 GLU CB C 13 28.2 0.5 . 1 . . . . A 47 GLU CB . 30646 1 225 . 1 . 1 47 47 GLU CG C 13 33.8 0.5 . 1 . . . . A 47 GLU CG . 30646 1 226 . 1 . 1 48 48 THR CA C 13 59.9 0.5 . 1 . . . . A 48 THR CA . 30646 1 227 . 1 . 1 48 48 THR CB C 13 69.1 0.5 . 1 . . . . A 48 THR CB . 30646 1 228 . 1 . 1 48 48 THR CG2 C 13 19.7 0.5 . 1 . . . . A 48 THR CG2 . 30646 1 229 . 1 . 1 49 49 ILE CA C 13 59.3 0.5 . 1 . . . . A 49 ILE CA . 30646 1 230 . 1 . 1 49 49 ILE CB C 13 37 0.5 . 1 . . . . A 49 ILE CB . 30646 1 231 . 1 . 1 49 49 ILE CG2 C 13 15.7 0.5 . 1 . . . . A 49 ILE CG2 . 30646 1 232 . 1 . 1 49 49 ILE CD1 C 13 11.2 0.5 . 1 . . . . A 49 ILE CD1 . 30646 1 233 . 1 . 1 50 50 ASN CA C 13 51.6 0.5 . 1 . . . . A 50 ASN CA . 30646 1 234 . 1 . 1 50 50 ASN CB C 13 37.1 0.5 . 1 . . . . A 50 ASN CB . 30646 1 235 . 1 . 1 51 51 ARG CA C 13 55.7 0.5 . 1 . . . . A 51 ARG CA . 30646 1 236 . 1 . 1 51 51 ARG CB C 13 29.7 0.5 . 1 . . . . A 51 ARG CB . 30646 1 237 . 1 . 1 51 51 ARG CG C 13 25.5 0.5 . 1 . . . . A 51 ARG CG . 30646 1 238 . 1 . 1 51 51 ARG CD C 13 41.7 0.5 . 1 . . . . A 51 ARG CD . 30646 1 stop_ save_