################################### # 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_shift_uniform_13C15N _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_uniform_13C15N _Assigned_chem_shift_list.Entry_ID 25289 _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 NCA . . . 25289 1 2 NCO . . . 25289 1 4 'PAIN 6 ms' . . . 25289 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 2 $CcpNMR . . 25289 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 ASP C C 13 173.601 0.20 . 1 . . . A 1 ASP C . 25289 1 2 . 1 1 1 1 ASP CA C 13 54.174 0.20 . 1 . . . A 1 ASP CA . 25289 1 3 . 1 1 1 1 ASP CB C 13 40.915 0.20 . 1 . . . A 1 ASP CB . 25289 1 4 . 1 1 1 1 ASP CG C 13 179.615 0.20 . 1 . . . A 1 ASP CG . 25289 1 5 . 1 1 1 1 ASP N N 15 37.421 0.20 . 1 . . . A 1 ASP N . 25289 1 6 . 1 1 2 2 ALA C C 13 177.737 0.20 . 1 . . . A 2 ALA C . 25289 1 7 . 1 1 2 2 ALA CA C 13 51.880 0.20 . 1 . . . A 2 ALA CA . 25289 1 8 . 1 1 2 2 ALA CB C 13 15.692 0.20 . 1 . . . A 2 ALA CB . 25289 1 9 . 1 1 2 2 ALA N N 15 118.014 0.20 . 1 . . . A 2 ALA N . 25289 1 10 . 1 1 3 3 GLU C C 13 176.622 0.20 . 1 . . . A 3 GLU C . 25289 1 11 . 1 1 3 3 GLU CA C 13 62.504 0.20 . 1 . . . A 3 GLU CA . 25289 1 12 . 1 1 3 3 GLU CB C 13 29.623 0.20 . 1 . . . A 3 GLU CB . 25289 1 13 . 1 1 3 3 GLU CG C 13 39.104 0.20 . 1 . . . A 3 GLU CG . 25289 1 14 . 1 1 3 3 GLU CD C 13 183.635 0.20 . 1 . . . A 3 GLU CD . 25289 1 15 . 1 1 3 3 GLU N N 15 121.987 0.20 . 1 . . . A 3 GLU N . 25289 1 16 . 1 1 4 4 PHE C C 13 175.867 0.20 . 1 . . . A 4 PHE C . 25289 1 17 . 1 1 4 4 PHE CA C 13 57.984 0.20 . 1 . . . A 4 PHE CA . 25289 1 18 . 1 1 4 4 PHE CB C 13 41.700 0.20 . 1 . . . A 4 PHE CB . 25289 1 19 . 1 1 4 4 PHE CG C 13 137.488 0.20 . 1 . . . A 4 PHE CG . 25289 1 20 . 1 1 4 4 PHE CD1 C 13 133.089 0.20 . 3 . . . A 4 PHE CD1 . 25289 1 21 . 1 1 4 4 PHE CE1 C 13 131.573 0.20 . 3 . . . A 4 PHE CE1 . 25289 1 22 . 1 1 4 4 PHE CZ C 13 128.840 0.20 . 1 . . . A 4 PHE CZ . 25289 1 23 . 1 1 4 4 PHE N N 15 114.820 0.20 . 1 . . . A 4 PHE N . 25289 1 24 . 1 1 5 5 ARG C C 13 173.318 0.20 . 1 . . . A 5 ARG C . 25289 1 25 . 1 1 5 5 ARG CA C 13 54.636 0.20 . 1 . . . A 5 ARG CA . 25289 1 26 . 1 1 5 5 ARG CB C 13 33.723 0.20 . 1 . . . A 5 ARG CB . 25289 1 27 . 1 1 5 5 ARG CG C 13 27.366 0.20 . 1 . . . A 5 ARG CG . 25289 1 28 . 1 1 5 5 ARG CD C 13 43.795 0.20 . 1 . . . A 5 ARG CD . 25289 1 29 . 1 1 5 5 ARG CZ C 13 159.541 0.20 . 1 . . . A 5 ARG CZ . 25289 1 30 . 1 1 5 5 ARG N N 15 132.201 0.20 . 1 . . . A 5 ARG N . 25289 1 31 . 1 1 5 5 ARG NE N 15 86.247 0.20 . 1 . . . A 5 ARG NE . 25289 1 32 . 1 1 6 6 HIS C C 13 171.847 0.20 . 1 . . . A 6 HIS C . 25289 1 33 . 1 1 6 6 HIS CA C 13 51.169 0.20 . 1 . . . A 6 HIS CA . 25289 1 34 . 1 1 6 6 HIS CB C 13 32.337 0.20 . 1 . . . A 6 HIS CB . 25289 1 35 . 1 1 6 6 HIS CG C 13 131.413 0.20 . 1 . . . A 6 HIS CG . 25289 1 36 . 1 1 6 6 HIS CD2 C 13 117.236 0.20 . 1 . . . A 6 HIS CD2 . 25289 1 37 . 1 1 6 6 HIS CE1 C 13 137.079 0.20 . 1 . . . A 6 HIS CE1 . 25289 1 38 . 1 1 6 6 HIS N N 15 126.106 0.20 . 1 . . . A 6 HIS N . 25289 1 39 . 1 1 6 6 HIS ND1 N 15 175.541 0.20 . 1 . . . A 6 HIS ND1 . 25289 1 40 . 1 1 6 6 HIS NE2 N 15 182.448 0.20 . 1 . . . A 6 HIS NE2 . 25289 1 41 . 1 1 7 7 ASP C C 13 173.950 0.20 . 1 . . . A 7 ASP C . 25289 1 42 . 1 1 7 7 ASP CA C 13 52.423 0.20 . 1 . . . A 7 ASP CA . 25289 1 43 . 1 1 7 7 ASP CB C 13 42.024 0.20 . 1 . . . A 7 ASP CB . 25289 1 44 . 1 1 7 7 ASP CG C 13 180.007 0.20 . 1 . . . A 7 ASP CG . 25289 1 45 . 1 1 7 7 ASP N N 15 129.834 0.20 . 1 . . . A 7 ASP N . 25289 1 46 . 1 1 8 8 SER C C 13 175.357 0.20 . 1 . . . A 8 SER C . 25289 1 47 . 1 1 8 8 SER CA C 13 55.033 0.20 . 1 . . . A 8 SER CA . 25289 1 48 . 1 1 8 8 SER CB C 13 66.184 0.20 . 1 . . . A 8 SER CB . 25289 1 49 . 1 1 8 8 SER N N 15 116.727 0.20 . 1 . . . A 8 SER N . 25289 1 50 . 1 1 9 9 GLY C C 13 173.834 0.20 . 1 . . . A 9 GLY C . 25289 1 51 . 1 1 9 9 GLY CA C 13 47.196 0.20 . 1 . . . A 9 GLY CA . 25289 1 52 . 1 1 9 9 GLY N N 15 112.188 0.20 . 1 . . . A 9 GLY N . 25289 1 53 . 1 1 10 10 TYR C C 13 172.647 0.20 . 1 . . . A 10 TYR C . 25289 1 54 . 1 1 10 10 TYR CA C 13 58.031 0.20 . 1 . . . A 10 TYR CA . 25289 1 55 . 1 1 10 10 TYR CB C 13 42.069 0.20 . 1 . . . A 10 TYR CB . 25289 1 56 . 1 1 10 10 TYR CD1 C 13 133.269 0.20 . 3 . . . A 10 TYR CD1 . 25289 1 57 . 1 1 10 10 TYR CE1 C 13 118.435 0.20 . 3 . . . A 10 TYR CE1 . 25289 1 58 . 1 1 10 10 TYR CZ C 13 156.561 0.20 . 1 . . . A 10 TYR CZ . 25289 1 59 . 1 1 10 10 TYR N N 15 126.552 0.20 . 1 . . . A 10 TYR N . 25289 1 60 . 1 1 11 11 GLU CA C 13 54.828 0.20 . 1 . . . A 11 GLU CA . 25289 1 61 . 1 1 11 11 GLU CB C 13 32.332 0.20 . 1 . . . A 11 GLU CB . 25289 1 62 . 1 1 11 11 GLU CG C 13 38.077 0.20 . 1 . . . A 11 GLU CG . 25289 1 63 . 1 1 11 11 GLU CD C 13 183.706 0.20 . 1 . . . A 11 GLU CD . 25289 1 64 . 1 1 11 11 GLU N N 15 130.897 0.20 . 1 . . . A 11 GLU N . 25289 1 65 . 1 1 12 12 VAL C C 13 175.777 0.20 . 1 . . . A 12 VAL C . 25289 1 66 . 1 1 12 12 VAL CA C 13 60.552 0.20 . 1 . . . A 12 VAL CA . 25289 1 67 . 1 1 12 12 VAL CB C 13 34.866 0.20 . 1 . . . A 12 VAL CB . 25289 1 68 . 1 1 12 12 VAL CG1 C 13 21.287 0.20 . 2 . . . A 12 VAL CG1 . 25289 1 69 . 1 1 12 12 VAL CG2 C 13 21.636 0.20 . 2 . . . A 12 VAL CG2 . 25289 1 70 . 1 1 12 12 VAL N N 15 126.150 0.20 . 1 . . . A 12 VAL N . 25289 1 71 . 1 1 13 13 HIS C C 13 173.570 0.20 . 1 . . . A 13 HIS C . 25289 1 72 . 1 1 13 13 HIS CA C 13 50.444 0.20 . 1 . . . A 13 HIS CA . 25289 1 73 . 1 1 13 13 HIS CB C 13 33.390 0.20 . 1 . . . A 13 HIS CB . 25289 1 74 . 1 1 13 13 HIS CG C 13 133.014 0.20 . 1 . . . A 13 HIS CG . 25289 1 75 . 1 1 13 13 HIS CD2 C 13 113.907 0.20 . 1 . . . A 13 HIS CD2 . 25289 1 76 . 1 1 13 13 HIS CE1 C 13 139.890 0.20 . 1 . . . A 13 HIS CE1 . 25289 1 77 . 1 1 13 13 HIS N N 15 125.956 0.20 . 1 . . . A 13 HIS N . 25289 1 78 . 1 1 13 13 HIS ND1 N 15 191.995 0.20 . 1 . . . A 13 HIS ND1 . 25289 1 79 . 1 1 13 13 HIS NE2 N 15 170.461 0.20 . 1 . . . A 13 HIS NE2 . 25289 1 80 . 1 1 14 14 HIS C C 13 173.557 0.20 . 1 . . . A 14 HIS C . 25289 1 81 . 1 1 14 14 HIS CA C 13 54.898 0.20 . 1 . . . A 14 HIS CA . 25289 1 82 . 1 1 14 14 HIS CB C 13 31.969 0.20 . 1 . . . A 14 HIS CB . 25289 1 83 . 1 1 14 14 HIS CG C 13 135.867 0.20 . 1 . . . A 14 HIS CG . 25289 1 84 . 1 1 14 14 HIS CD2 C 13 118.277 0.20 . 1 . . . A 14 HIS CD2 . 25289 1 85 . 1 1 14 14 HIS CE1 C 13 138.211 0.20 . 1 . . . A 14 HIS CE1 . 25289 1 86 . 1 1 14 14 HIS N N 15 118.068 0.20 . 1 . . . A 14 HIS N . 25289 1 87 . 1 1 15 15 GLN C C 13 175.161 0.20 . 1 . . . A 15 GLN C . 25289 1 88 . 1 1 15 15 GLN CA C 13 54.735 0.20 . 1 . . . A 15 GLN CA . 25289 1 89 . 1 1 15 15 GLN CB C 13 33.033 0.20 . 1 . . . A 15 GLN CB . 25289 1 90 . 1 1 15 15 GLN CG C 13 30.555 0.20 . 1 . . . A 15 GLN CG . 25289 1 91 . 1 1 15 15 GLN CD C 13 176.363 0.20 . 1 . . . A 15 GLN CD . 25289 1 92 . 1 1 15 15 GLN N N 15 108.832 0.20 . 1 . . . A 15 GLN N . 25289 1 93 . 1 1 15 15 GLN NE2 N 15 108.865 0.20 . 1 . . . A 15 GLN NE2 . 25289 1 94 . 1 1 16 16 LYS C C 13 174.135 0.20 . 1 . . . A 16 LYS C . 25289 1 95 . 1 1 16 16 LYS CA C 13 55.161 0.20 . 1 . . . A 16 LYS CA . 25289 1 96 . 1 1 16 16 LYS CB C 13 36.677 0.20 . 1 . . . A 16 LYS CB . 25289 1 97 . 1 1 16 16 LYS CG C 13 25.731 0.20 . 1 . . . A 16 LYS CG . 25289 1 98 . 1 1 16 16 LYS CD C 13 30.434 0.20 . 1 . . . A 16 LYS CD . 25289 1 99 . 1 1 16 16 LYS CE C 13 42.115 0.20 . 1 . . . A 16 LYS CE . 25289 1 100 . 1 1 16 16 LYS N N 15 120.134 0.20 . 1 . . . A 16 LYS N . 25289 1 101 . 1 1 16 16 LYS NZ N 15 34.330 0.20 . 1 . . . A 16 LYS NZ . 25289 1 102 . 1 1 17 17 LEU C C 13 174.949 0.20 . 1 . . . A 17 LEU C . 25289 1 103 . 1 1 17 17 LEU CA C 13 54.624 0.20 . 1 . . . A 17 LEU CA . 25289 1 104 . 1 1 17 17 LEU CB C 13 44.696 0.20 . 1 . . . A 17 LEU CB . 25289 1 105 . 1 1 17 17 LEU CG C 13 30.366 0.20 . 1 . . . A 17 LEU CG . 25289 1 106 . 1 1 17 17 LEU CD1 C 13 22.788 0.20 . 2 . . . A 17 LEU CD1 . 25289 1 107 . 1 1 17 17 LEU CD2 C 13 25.012 0.20 . 2 . . . A 17 LEU CD2 . 25289 1 108 . 1 1 17 17 LEU N N 15 128.053 0.20 . 1 . . . A 17 LEU N . 25289 1 109 . 1 1 18 18 VAL C C 13 172.776 0.20 . 1 . . . A 18 VAL C . 25289 1 110 . 1 1 18 18 VAL CA C 13 61.757 0.20 . 1 . . . A 18 VAL CA . 25289 1 111 . 1 1 18 18 VAL CB C 13 33.817 0.20 . 1 . . . A 18 VAL CB . 25289 1 112 . 1 1 18 18 VAL CG1 C 13 22.087 0.20 . 2 . . . A 18 VAL CG1 . 25289 1 113 . 1 1 18 18 VAL CG2 C 13 20.269 0.20 . 2 . . . A 18 VAL CG2 . 25289 1 114 . 1 1 18 18 VAL N N 15 123.642 0.20 . 1 . . . A 18 VAL N . 25289 1 115 . 1 1 19 19 PHE C C 13 174.192 0.20 . 1 . . . A 19 PHE C . 25289 1 116 . 1 1 19 19 PHE CA C 13 55.575 0.20 . 1 . . . A 19 PHE CA . 25289 1 117 . 1 1 19 19 PHE CB C 13 42.431 0.20 . 1 . . . A 19 PHE CB . 25289 1 118 . 1 1 19 19 PHE CG C 13 142.602 0.20 . 1 . . . A 19 PHE CG . 25289 1 119 . 1 1 19 19 PHE CD1 C 13 130.619 0.20 . 3 . . . A 19 PHE CD1 . 25289 1 120 . 1 1 19 19 PHE CE1 C 13 131.501 0.20 . 3 . . . A 19 PHE CE1 . 25289 1 121 . 1 1 19 19 PHE CZ C 13 128.881 0.20 . 1 . . . A 19 PHE CZ . 25289 1 122 . 1 1 19 19 PHE N N 15 129.487 0.20 . 1 . . . A 19 PHE N . 25289 1 123 . 1 1 20 20 PHE C C 13 170.932 0.20 . 1 . . . A 20 PHE C . 25289 1 124 . 1 1 20 20 PHE CA C 13 58.679 0.20 . 1 . . . A 20 PHE CA . 25289 1 125 . 1 1 20 20 PHE CB C 13 32.923 0.20 . 1 . . . A 20 PHE CB . 25289 1 126 . 1 1 20 20 PHE CG C 13 142.426 0.20 . 1 . . . A 20 PHE CG . 25289 1 127 . 1 1 20 20 PHE CD1 C 13 131.333 0.20 . 3 . . . A 20 PHE CD1 . 25289 1 128 . 1 1 20 20 PHE CE1 C 13 134.117 0.20 . 3 . . . A 20 PHE CE1 . 25289 1 129 . 1 1 20 20 PHE CZ C 13 129.282 0.20 . 1 . . . A 20 PHE CZ . 25289 1 130 . 1 1 20 20 PHE N N 15 117.543 0.20 . 1 . . . A 20 PHE N . 25289 1 131 . 1 1 21 21 ALA C C 13 177.230 0.20 . 1 . . . A 21 ALA C . 25289 1 132 . 1 1 21 21 ALA CA C 13 48.992 0.20 . 1 . . . A 21 ALA CA . 25289 1 133 . 1 1 21 21 ALA CB C 13 23.188 0.20 . 1 . . . A 21 ALA CB . 25289 1 134 . 1 1 21 21 ALA N N 15 115.079 0.20 . 1 . . . A 21 ALA N . 25289 1 135 . 1 1 22 22 ASP CA C 13 55.469 0.20 . 1 . . . A 22 ASP CA . 25289 1 136 . 1 1 22 22 ASP CB C 13 39.067 0.20 . 1 . . . A 22 ASP CB . 25289 1 137 . 1 1 22 22 ASP CG C 13 182.421 0.20 . 1 . . . A 22 ASP CG . 25289 1 138 . 1 1 22 22 ASP N N 15 118.083 0.20 . 1 . . . A 22 ASP N . 25289 1 139 . 1 1 23 23 VAL C C 13 177.102 0.20 . 1 . . . A 23 VAL C . 25289 1 140 . 1 1 23 23 VAL CA C 13 58.358 0.20 . 1 . . . A 23 VAL CA . 25289 1 141 . 1 1 23 23 VAL CB C 13 36.811 0.20 . 1 . . . A 23 VAL CB . 25289 1 142 . 1 1 23 23 VAL CG1 C 13 21.933 0.20 . 2 . . . A 23 VAL CG1 . 25289 1 143 . 1 1 23 23 VAL CG2 C 13 23.155 0.20 . 2 . . . A 23 VAL CG2 . 25289 1 144 . 1 1 23 23 VAL N N 15 118.167 0.20 . 1 . . . A 23 VAL N . 25289 1 145 . 1 1 24 24 GLY C C 13 175.652 0.20 . 1 . . . A 24 GLY C . 25289 1 146 . 1 1 24 24 GLY CA C 13 48.862 0.20 . 1 . . . A 24 GLY CA . 25289 1 147 . 1 1 24 24 GLY N N 15 116.706 0.20 . 1 . . . A 24 GLY N . 25289 1 148 . 1 1 25 25 SER C C 13 171.430 0.20 . 1 . . . A 25 SER C . 25289 1 149 . 1 1 25 25 SER CA C 13 57.801 0.20 . 1 . . . A 25 SER CA . 25289 1 150 . 1 1 25 25 SER CB C 13 66.227 0.20 . 1 . . . A 25 SER CB . 25289 1 151 . 1 1 25 25 SER N N 15 114.116 0.20 . 1 . . . A 25 SER N . 25289 1 152 . 1 1 26 26 ASN C C 13 174.397 0.20 . 1 . . . A 26 ASN C . 25289 1 153 . 1 1 26 26 ASN CA C 13 52.749 0.20 . 1 . . . A 26 ASN CA . 25289 1 154 . 1 1 26 26 ASN CB C 13 40.826 0.20 . 1 . . . A 26 ASN CB . 25289 1 155 . 1 1 26 26 ASN CG C 13 174.453 0.20 . 1 . . . A 26 ASN CG . 25289 1 156 . 1 1 26 26 ASN N N 15 124.399 0.20 . 1 . . . A 26 ASN N . 25289 1 157 . 1 1 26 26 ASN ND2 N 15 113.249 0.20 . 1 . . . A 26 ASN ND2 . 25289 1 158 . 1 1 27 27 LYS C C 13 174.254 0.20 . 1 . . . A 27 LYS C . 25289 1 159 . 1 1 27 27 LYS CA C 13 54.790 0.20 . 1 . . . A 27 LYS CA . 25289 1 160 . 1 1 27 27 LYS CB C 13 39.371 0.20 . 1 . . . A 27 LYS CB . 25289 1 161 . 1 1 27 27 LYS CG C 13 25.378 0.20 . 1 . . . A 27 LYS CG . 25289 1 162 . 1 1 27 27 LYS CD C 13 30.702 0.20 . 1 . . . A 27 LYS CD . 25289 1 163 . 1 1 27 27 LYS CE C 13 41.763 0.20 . 1 . . . A 27 LYS CE . 25289 1 164 . 1 1 27 27 LYS N N 15 119.929 0.20 . 1 . . . A 27 LYS N . 25289 1 165 . 1 1 27 27 LYS NZ N 15 34.346 0.20 . 1 . . . A 27 LYS NZ . 25289 1 166 . 1 1 28 28 GLY C C 13 170.924 0.20 . 1 . . . A 28 GLY C . 25289 1 167 . 1 1 28 28 GLY CA C 13 44.986 0.20 . 1 . . . A 28 GLY CA . 25289 1 168 . 1 1 28 28 GLY N N 15 110.364 0.20 . 1 . . . A 28 GLY N . 25289 1 169 . 1 1 29 29 ALA C C 13 174.741 0.20 . 1 . . . A 29 ALA C . 25289 1 170 . 1 1 29 29 ALA CA C 13 50.157 0.20 . 1 . . . A 29 ALA CA . 25289 1 171 . 1 1 29 29 ALA CB C 13 20.182 0.20 . 1 . . . A 29 ALA CB . 25289 1 172 . 1 1 29 29 ALA N N 15 131.126 0.20 . 1 . . . A 29 ALA N . 25289 1 173 . 1 1 30 30 ILE C C 13 174.412 0.20 . 1 . . . A 30 ILE C . 25289 1 174 . 1 1 30 30 ILE CA C 13 57.752 0.20 . 1 . . . A 30 ILE CA . 25289 1 175 . 1 1 30 30 ILE CB C 13 38.797 0.20 . 1 . . . A 30 ILE CB . 25289 1 176 . 1 1 30 30 ILE CG1 C 13 27.145 0.20 . 1 . . . A 30 ILE CG1 . 25289 1 177 . 1 1 30 30 ILE CG2 C 13 18.450 0.20 . 1 . . . A 30 ILE CG2 . 25289 1 178 . 1 1 30 30 ILE CD1 C 13 12.376 0.20 . 1 . . . A 30 ILE CD1 . 25289 1 179 . 1 1 30 30 ILE N N 15 124.057 0.20 . 1 . . . A 30 ILE N . 25289 1 180 . 1 1 31 31 ILE C C 13 175.726 0.20 . 1 . . . A 31 ILE C . 25289 1 181 . 1 1 31 31 ILE CA C 13 58.438 0.20 . 1 . . . A 31 ILE CA . 25289 1 182 . 1 1 31 31 ILE CB C 13 41.749 0.20 . 1 . . . A 31 ILE CB . 25289 1 183 . 1 1 31 31 ILE CG1 C 13 27.369 0.20 . 1 . . . A 31 ILE CG1 . 25289 1 184 . 1 1 31 31 ILE CG2 C 13 17.222 0.20 . 1 . . . A 31 ILE CG2 . 25289 1 185 . 1 1 31 31 ILE CD1 C 13 14.256 0.20 . 1 . . . A 31 ILE CD1 . 25289 1 186 . 1 1 31 31 ILE N N 15 125.346 0.20 . 1 . . . A 31 ILE N . 25289 1 187 . 1 1 32 32 GLY C C 13 171.545 0.20 . 1 . . . A 32 GLY C . 25289 1 188 . 1 1 32 32 GLY CA C 13 48.711 0.20 . 1 . . . A 32 GLY CA . 25289 1 189 . 1 1 32 32 GLY N N 15 114.247 0.20 . 1 . . . A 32 GLY N . 25289 1 190 . 1 1 33 33 LEU C C 13 173.806 0.20 . 1 . . . A 33 LEU C . 25289 1 191 . 1 1 33 33 LEU CA C 13 54.124 0.20 . 1 . . . A 33 LEU CA . 25289 1 192 . 1 1 33 33 LEU CB C 13 45.854 0.20 . 1 . . . A 33 LEU CB . 25289 1 193 . 1 1 33 33 LEU CG C 13 28.148 0.20 . 1 . . . A 33 LEU CG . 25289 1 194 . 1 1 33 33 LEU CD1 C 13 24.915 0.20 . 2 . . . A 33 LEU CD1 . 25289 1 195 . 1 1 33 33 LEU CD2 C 13 25.579 0.20 . 2 . . . A 33 LEU CD2 . 25289 1 196 . 1 1 33 33 LEU N N 15 125.458 0.20 . 1 . . . A 33 LEU N . 25289 1 197 . 1 1 34 34 MET C C 13 173.609 0.20 . 1 . . . A 34 MET C . 25289 1 198 . 1 1 34 34 MET CA C 13 53.644 0.20 . 1 . . . A 34 MET CA . 25289 1 199 . 1 1 34 34 MET CB C 13 37.230 0.20 . 1 . . . A 34 MET CB . 25289 1 200 . 1 1 34 34 MET CG C 13 32.208 0.20 . 1 . . . A 34 MET CG . 25289 1 201 . 1 1 34 34 MET CE C 13 18.522 0.20 . 1 . . . A 34 MET CE . 25289 1 202 . 1 1 34 34 MET N N 15 126.372 0.20 . 1 . . . A 34 MET N . 25289 1 203 . 1 1 35 35 VAL C C 13 176.204 0.20 . 1 . . . A 35 VAL C . 25289 1 204 . 1 1 35 35 VAL CA C 13 58.717 0.20 . 1 . . . A 35 VAL CA . 25289 1 205 . 1 1 35 35 VAL CB C 13 36.067 0.20 . 1 . . . A 35 VAL CB . 25289 1 206 . 1 1 35 35 VAL CG1 C 13 21.709 0.20 . 2 . . . A 35 VAL CG1 . 25289 1 207 . 1 1 35 35 VAL N N 15 125.387 0.20 . 1 . . . A 35 VAL N . 25289 1 208 . 1 1 36 36 GLY C C 13 173.838 0.20 . 1 . . . A 36 GLY C . 25289 1 209 . 1 1 36 36 GLY CA C 13 48.353 0.20 . 1 . . . A 36 GLY CA . 25289 1 210 . 1 1 36 36 GLY N N 15 117.182 0.20 . 1 . . . A 36 GLY N . 25289 1 211 . 1 1 37 37 GLY C C 13 169.824 0.20 . 1 . . . A 37 GLY C . 25289 1 212 . 1 1 37 37 GLY CA C 13 44.974 0.20 . 1 . . . A 37 GLY CA . 25289 1 213 . 1 1 37 37 GLY N N 15 105.656 0.20 . 1 . . . A 37 GLY N . 25289 1 214 . 1 1 38 38 VAL C C 13 172.917 0.20 . 1 . . . A 38 VAL C . 25289 1 215 . 1 1 38 38 VAL CA C 13 60.545 0.20 . 1 . . . A 38 VAL CA . 25289 1 216 . 1 1 38 38 VAL CB C 13 36.733 0.20 . 1 . . . A 38 VAL CB . 25289 1 217 . 1 1 38 38 VAL CG1 C 13 22.966 0.20 . 2 . . . A 38 VAL CG1 . 25289 1 218 . 1 1 38 38 VAL CG2 C 13 22.291 0.20 . 2 . . . A 38 VAL CG2 . 25289 1 219 . 1 1 38 38 VAL N N 15 118.585 0.20 . 1 . . . A 38 VAL N . 25289 1 220 . 1 1 39 39 VAL C C 13 179.187 0.20 . 1 . . . A 39 VAL C . 25289 1 221 . 1 1 39 39 VAL CA C 13 59.865 0.20 . 1 . . . A 39 VAL CA . 25289 1 222 . 1 1 39 39 VAL CB C 13 33.467 0.20 . 1 . . . A 39 VAL CB . 25289 1 223 . 1 1 39 39 VAL CG1 C 13 21.829 0.20 . 2 . . . A 39 VAL CG1 . 25289 1 224 . 1 1 39 39 VAL N N 15 128.178 0.20 . 1 . . . A 39 VAL N . 25289 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_shift_uniform_13C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_uniform_13C _Assigned_chem_shift_list.Entry_ID 25289 _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_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 0.2 _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 3 'DARR 15 ms' . . . 25289 2 6 'DARR 400 ms' . . . 25289 2 8 'PAR 8 ms' . . . 25289 2 10 'CHHC 500 us' . . . 25289 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 1 1 ASP C C 13 173.631 0.20 . 1 . . . A 1 ASP C . 25289 2 2 . 1 1 1 1 ASP CA C 13 54.171 0.20 . 1 . . . A 1 ASP CA . 25289 2 3 . 1 1 1 1 ASP CB C 13 40.992 0.20 . 1 . . . A 1 ASP CB . 25289 2 4 . 1 1 1 1 ASP CG C 13 179.634 0.20 . 1 . . . A 1 ASP CG . 25289 2 5 . 1 1 2 2 ALA C C 13 177.746 0.20 . 1 . . . A 2 ALA C . 25289 2 6 . 1 1 2 2 ALA CA C 13 51.922 0.20 . 1 . . . A 2 ALA CA . 25289 2 7 . 1 1 2 2 ALA CB C 13 15.681 0.20 . 1 . . . A 2 ALA CB . 25289 2 8 . 1 1 3 3 GLU C C 13 176.745 0.20 . 1 . . . A 3 GLU C . 25289 2 9 . 1 1 3 3 GLU CA C 13 62.552 0.20 . 1 . . . A 3 GLU CA . 25289 2 10 . 1 1 3 3 GLU CB C 13 29.718 0.20 . 1 . . . A 3 GLU CB . 25289 2 11 . 1 1 3 3 GLU CG C 13 38.967 0.20 . 1 . . . A 3 GLU CG . 25289 2 12 . 1 1 3 3 GLU CD C 13 183.703 0.20 . 1 . . . A 3 GLU CD . 25289 2 13 . 1 1 4 4 PHE C C 13 176.035 0.20 . 1 . . . A 4 PHE C . 25289 2 14 . 1 1 4 4 PHE CA C 13 58.038 0.20 . 1 . . . A 4 PHE CA . 25289 2 15 . 1 1 4 4 PHE CB C 13 41.672 0.20 . 1 . . . A 4 PHE CB . 25289 2 16 . 1 1 4 4 PHE CG C 13 137.781 0.20 . 1 . . . A 4 PHE CG . 25289 2 17 . 1 1 4 4 PHE CD1 C 13 133.253 0.20 . 3 . . . A 4 PHE CD1 . 25289 2 18 . 1 1 4 4 PHE CE1 C 13 131.573 0.20 . 3 . . . A 4 PHE CE1 . 25289 2 19 . 1 1 4 4 PHE CZ C 13 128.584 0.20 . 1 . . . A 4 PHE CZ . 25289 2 20 . 1 1 5 5 ARG C C 13 173.397 0.20 . 1 . . . A 5 ARG C . 25289 2 21 . 1 1 5 5 ARG CA C 13 54.679 0.20 . 1 . . . A 5 ARG CA . 25289 2 22 . 1 1 5 5 ARG CB C 13 33.762 0.20 . 1 . . . A 5 ARG CB . 25289 2 23 . 1 1 5 5 ARG CG C 13 27.320 0.20 . 1 . . . A 5 ARG CG . 25289 2 24 . 1 1 5 5 ARG CD C 13 43.841 0.20 . 1 . . . A 5 ARG CD . 25289 2 25 . 1 1 5 5 ARG CZ C 13 159.588 0.20 . 1 . . . A 5 ARG CZ . 25289 2 26 . 1 1 6 6 HIS C C 13 171.874 0.20 . 1 . . . A 6 HIS C . 25289 2 27 . 1 1 6 6 HIS CA C 13 51.166 0.20 . 1 . . . A 6 HIS CA . 25289 2 28 . 1 1 6 6 HIS CB C 13 32.330 0.20 . 1 . . . A 6 HIS CB . 25289 2 29 . 1 1 6 6 HIS CG C 13 131.242 0.20 . 1 . . . A 6 HIS CG . 25289 2 30 . 1 1 6 6 HIS CD2 C 13 117.407 0.20 . 1 . . . A 6 HIS CD2 . 25289 2 31 . 1 1 6 6 HIS CE1 C 13 137.350 0.20 . 1 . . . A 6 HIS CE1 . 25289 2 32 . 1 1 7 7 ASP C C 13 173.858 0.20 . 1 . . . A 7 ASP C . 25289 2 33 . 1 1 7 7 ASP CA C 13 52.555 0.20 . 1 . . . A 7 ASP CA . 25289 2 34 . 1 1 7 7 ASP CB C 13 42.074 0.20 . 1 . . . A 7 ASP CB . 25289 2 35 . 1 1 7 7 ASP CG C 13 180.099 0.20 . 1 . . . A 7 ASP CG . 25289 2 36 . 1 1 8 8 SER C C 13 175.425 0.20 . 1 . . . A 8 SER C . 25289 2 37 . 1 1 8 8 SER CA C 13 55.135 0.20 . 1 . . . A 8 SER CA . 25289 2 38 . 1 1 8 8 SER CB C 13 66.211 0.20 . 1 . . . A 8 SER CB . 25289 2 39 . 1 1 9 9 GLY C C 13 173.792 0.20 . 1 . . . A 9 GLY C . 25289 2 40 . 1 1 9 9 GLY CA C 13 47.190 0.20 . 1 . . . A 9 GLY CA . 25289 2 41 . 1 1 10 10 TYR C C 13 172.773 0.20 . 1 . . . A 10 TYR C . 25289 2 42 . 1 1 10 10 TYR CA C 13 58.114 0.20 . 1 . . . A 10 TYR CA . 25289 2 43 . 1 1 10 10 TYR CB C 13 42.089 0.20 . 1 . . . A 10 TYR CB . 25289 2 44 . 1 1 10 10 TYR CG C 13 128.426 0.20 . 1 . . . A 10 TYR CG . 25289 2 45 . 1 1 10 10 TYR CD1 C 13 133.238 0.20 . 3 . . . A 10 TYR CD1 . 25289 2 46 . 1 1 10 10 TYR CE1 C 13 118.511 0.20 . 3 . . . A 10 TYR CE1 . 25289 2 47 . 1 1 10 10 TYR CZ C 13 156.538 0.20 . 1 . . . A 10 TYR CZ . 25289 2 48 . 1 1 11 11 GLU C C 13 173.432 0.20 . 1 . . . A 11 GLU C . 25289 2 49 . 1 1 11 11 GLU CA C 13 54.816 0.20 . 1 . . . A 11 GLU CA . 25289 2 50 . 1 1 11 11 GLU CB C 13 32.367 0.20 . 1 . . . A 11 GLU CB . 25289 2 51 . 1 1 11 11 GLU CG C 13 38.072 0.20 . 1 . . . A 11 GLU CG . 25289 2 52 . 1 1 11 11 GLU CD C 13 183.723 0.20 . 1 . . . A 11 GLU CD . 25289 2 53 . 1 1 12 12 VAL C C 13 175.822 0.20 . 1 . . . A 12 VAL C . 25289 2 54 . 1 1 12 12 VAL CA C 13 60.564 0.20 . 1 . . . A 12 VAL CA . 25289 2 55 . 1 1 12 12 VAL CB C 13 34.924 0.20 . 1 . . . A 12 VAL CB . 25289 2 56 . 1 1 12 12 VAL CG1 C 13 21.331 0.20 . 2 . . . A 12 VAL CG1 . 25289 2 57 . 1 1 13 13 HIS C C 13 173.620 0.20 . 1 . . . A 13 HIS C . 25289 2 58 . 1 1 13 13 HIS CA C 13 50.401 0.20 . 1 . . . A 13 HIS CA . 25289 2 59 . 1 1 13 13 HIS CB C 13 33.381 0.20 . 1 . . . A 13 HIS CB . 25289 2 60 . 1 1 13 13 HIS CG C 13 132.978 0.20 . 1 . . . A 13 HIS CG . 25289 2 61 . 1 1 13 13 HIS CD2 C 13 113.942 0.20 . 1 . . . A 13 HIS CD2 . 25289 2 62 . 1 1 13 13 HIS CE1 C 13 139.841 0.20 . 1 . . . A 13 HIS CE1 . 25289 2 63 . 1 1 14 14 HIS C C 13 173.528 0.20 . 1 . . . A 14 HIS C . 25289 2 64 . 1 1 14 14 HIS CA C 13 54.915 0.20 . 1 . . . A 14 HIS CA . 25289 2 65 . 1 1 14 14 HIS CB C 13 31.919 0.20 . 1 . . . A 14 HIS CB . 25289 2 66 . 1 1 14 14 HIS CG C 13 135.568 0.20 . 1 . . . A 14 HIS CG . 25289 2 67 . 1 1 14 14 HIS CD2 C 13 118.611 0.20 . 1 . . . A 14 HIS CD2 . 25289 2 68 . 1 1 14 14 HIS CE1 C 13 138.347 0.20 . 1 . . . A 14 HIS CE1 . 25289 2 69 . 1 1 15 15 GLN C C 13 175.127 0.20 . 1 . . . A 15 GLN C . 25289 2 70 . 1 1 15 15 GLN CA C 13 54.693 0.20 . 1 . . . A 15 GLN CA . 25289 2 71 . 1 1 15 15 GLN CB C 13 33.038 0.20 . 1 . . . A 15 GLN CB . 25289 2 72 . 1 1 15 15 GLN CG C 13 30.554 0.20 . 1 . . . A 15 GLN CG . 25289 2 73 . 1 1 15 15 GLN CD C 13 176.448 0.20 . 1 . . . A 15 GLN CD . 25289 2 74 . 1 1 16 16 LYS C C 13 174.242 0.20 . 1 . . . A 16 LYS C . 25289 2 75 . 1 1 16 16 LYS CA C 13 55.183 0.20 . 1 . . . A 16 LYS CA . 25289 2 76 . 1 1 16 16 LYS CB C 13 36.663 0.20 . 1 . . . A 16 LYS CB . 25289 2 77 . 1 1 16 16 LYS CG C 13 25.750 0.20 . 1 . . . A 16 LYS CG . 25289 2 78 . 1 1 16 16 LYS CD C 13 30.228 0.20 . 1 . . . A 16 LYS CD . 25289 2 79 . 1 1 16 16 LYS CE C 13 42.000 0.20 . 1 . . . A 16 LYS CE . 25289 2 80 . 1 1 17 17 LEU C C 13 174.992 0.20 . 1 . . . A 17 LEU C . 25289 2 81 . 1 1 17 17 LEU CA C 13 54.585 0.20 . 1 . . . A 17 LEU CA . 25289 2 82 . 1 1 17 17 LEU CB C 13 44.687 0.20 . 1 . . . A 17 LEU CB . 25289 2 83 . 1 1 17 17 LEU CG C 13 30.333 0.20 . 1 . . . A 17 LEU CG . 25289 2 84 . 1 1 17 17 LEU CD1 C 13 22.817 0.20 . 2 . . . A 17 LEU CD1 . 25289 2 85 . 1 1 17 17 LEU CD2 C 13 25.049 0.20 . 2 . . . A 17 LEU CD2 . 25289 2 86 . 1 1 18 18 VAL C C 13 172.891 0.20 . 1 . . . A 18 VAL C . 25289 2 87 . 1 1 18 18 VAL CA C 13 61.826 0.20 . 1 . . . A 18 VAL CA . 25289 2 88 . 1 1 18 18 VAL CB C 13 33.830 0.20 . 1 . . . A 18 VAL CB . 25289 2 89 . 1 1 18 18 VAL CG1 C 13 22.111 0.20 . 2 . . . A 18 VAL CG1 . 25289 2 90 . 1 1 18 18 VAL CG2 C 13 20.208 0.20 . 2 . . . A 18 VAL CG2 . 25289 2 91 . 1 1 19 19 PHE C C 13 174.272 0.20 . 1 . . . A 19 PHE C . 25289 2 92 . 1 1 19 19 PHE CA C 13 55.581 0.20 . 1 . . . A 19 PHE CA . 25289 2 93 . 1 1 19 19 PHE CB C 13 42.475 0.20 . 1 . . . A 19 PHE CB . 25289 2 94 . 1 1 19 19 PHE CG C 13 142.752 0.20 . 1 . . . A 19 PHE CG . 25289 2 95 . 1 1 19 19 PHE CD1 C 13 130.619 0.20 . 3 . . . A 19 PHE CD1 . 25289 2 96 . 1 1 19 19 PHE CE1 C 13 131.445 0.20 . 3 . . . A 19 PHE CE1 . 25289 2 97 . 1 1 19 19 PHE CZ C 13 128.858 0.20 . 1 . . . A 19 PHE CZ . 25289 2 98 . 1 1 20 20 PHE C C 13 171.025 0.20 . 1 . . . A 20 PHE C . 25289 2 99 . 1 1 20 20 PHE CA C 13 58.689 0.20 . 1 . . . A 20 PHE CA . 25289 2 100 . 1 1 20 20 PHE CB C 13 32.976 0.20 . 1 . . . A 20 PHE CB . 25289 2 101 . 1 1 20 20 PHE CG C 13 142.475 0.20 . 1 . . . A 20 PHE CG . 25289 2 102 . 1 1 20 20 PHE CD1 C 13 131.528 0.20 . 3 . . . A 20 PHE CD1 . 25289 2 103 . 1 1 20 20 PHE CE1 C 13 134.073 0.20 . 3 . . . A 20 PHE CE1 . 25289 2 104 . 1 1 20 20 PHE CZ C 13 129.236 0.20 . 1 . . . A 20 PHE CZ . 25289 2 105 . 1 1 21 21 ALA C C 13 177.234 0.20 . 1 . . . A 21 ALA C . 25289 2 106 . 1 1 21 21 ALA CA C 13 49.067 0.20 . 1 . . . A 21 ALA CA . 25289 2 107 . 1 1 21 21 ALA CB C 13 23.224 0.20 . 1 . . . A 21 ALA CB . 25289 2 108 . 1 1 22 22 ASP C C 13 174.335 0.20 . 1 . . . A 22 ASP C . 25289 2 109 . 1 1 22 22 ASP CA C 13 55.335 0.20 . 1 . . . A 22 ASP CA . 25289 2 110 . 1 1 22 22 ASP CB C 13 38.744 0.20 . 1 . . . A 22 ASP CB . 25289 2 111 . 1 1 22 22 ASP CG C 13 182.076 0.20 . 1 . . . A 22 ASP CG . 25289 2 112 . 1 1 23 23 VAL C C 13 177.082 0.20 . 1 . . . A 23 VAL C . 25289 2 113 . 1 1 23 23 VAL CA C 13 58.390 0.20 . 1 . . . A 23 VAL CA . 25289 2 114 . 1 1 23 23 VAL CB C 13 36.941 0.20 . 1 . . . A 23 VAL CB . 25289 2 115 . 1 1 23 23 VAL CG1 C 13 21.997 0.20 . 2 . . . A 23 VAL CG1 . 25289 2 116 . 1 1 23 23 VAL CG2 C 13 23.103 0.20 . 2 . . . A 23 VAL CG2 . 25289 2 117 . 1 1 24 24 GLY C C 13 175.476 0.20 . 1 . . . A 24 GLY C . 25289 2 118 . 1 1 24 24 GLY CA C 13 48.889 0.20 . 1 . . . A 24 GLY CA . 25289 2 119 . 1 1 25 25 SER C C 13 171.562 0.20 . 1 . . . A 25 SER C . 25289 2 120 . 1 1 25 25 SER CA C 13 57.842 0.20 . 1 . . . A 25 SER CA . 25289 2 121 . 1 1 25 25 SER CB C 13 66.249 0.20 . 1 . . . A 25 SER CB . 25289 2 122 . 1 1 26 26 ASN C C 13 174.457 0.20 . 1 . . . A 26 ASN C . 25289 2 123 . 1 1 26 26 ASN CA C 13 52.691 0.20 . 1 . . . A 26 ASN CA . 25289 2 124 . 1 1 26 26 ASN CB C 13 40.755 0.20 . 1 . . . A 26 ASN CB . 25289 2 125 . 1 1 26 26 ASN CG C 13 174.453 0.20 . 1 . . . A 26 ASN CG . 25289 2 126 . 1 1 27 27 LYS C C 13 174.290 0.20 . 1 . . . A 27 LYS C . 25289 2 127 . 1 1 27 27 LYS CA C 13 54.794 0.20 . 1 . . . A 27 LYS CA . 25289 2 128 . 1 1 27 27 LYS CB C 13 39.374 0.20 . 1 . . . A 27 LYS CB . 25289 2 129 . 1 1 27 27 LYS CG C 13 25.319 0.20 . 1 . . . A 27 LYS CG . 25289 2 130 . 1 1 27 27 LYS CD C 13 30.728 0.20 . 1 . . . A 27 LYS CD . 25289 2 131 . 1 1 27 27 LYS CE C 13 41.764 0.20 . 1 . . . A 27 LYS CE . 25289 2 132 . 1 1 28 28 GLY C C 13 170.707 0.20 . 1 . . . A 28 GLY C . 25289 2 133 . 1 1 28 28 GLY CA C 13 45.121 0.20 . 1 . . . A 28 GLY CA . 25289 2 134 . 1 1 29 29 ALA C C 13 174.306 0.20 . 1 . . . A 29 ALA C . 25289 2 135 . 1 1 29 29 ALA CA C 13 49.957 0.20 . 1 . . . A 29 ALA CA . 25289 2 136 . 1 1 29 29 ALA CB C 13 21.242 0.20 . 1 . . . A 29 ALA CB . 25289 2 137 . 1 1 30 30 ILE C C 13 174.786 0.20 . 1 . . . A 30 ILE C . 25289 2 138 . 1 1 30 30 ILE CA C 13 57.811 0.20 . 1 . . . A 30 ILE CA . 25289 2 139 . 1 1 30 30 ILE CB C 13 40.838 0.20 . 1 . . . A 30 ILE CB . 25289 2 140 . 1 1 30 30 ILE CG1 C 13 27.083 0.20 . 1 . . . A 30 ILE CG1 . 25289 2 141 . 1 1 30 30 ILE CG2 C 13 18.222 0.20 . 1 . . . A 30 ILE CG2 . 25289 2 142 . 1 1 30 30 ILE CD1 C 13 13.351 0.20 . 1 . . . A 30 ILE CD1 . 25289 2 143 . 1 1 31 31 ILE C C 13 176.149 0.20 . 1 . . . A 31 ILE C . 25289 2 144 . 1 1 31 31 ILE CA C 13 57.982 0.20 . 1 . . . A 31 ILE CA . 25289 2 145 . 1 1 31 31 ILE CB C 13 41.665 0.20 . 1 . . . A 31 ILE CB . 25289 2 146 . 1 1 31 31 ILE CG1 C 13 27.099 0.20 . 1 . . . A 31 ILE CG1 . 25289 2 147 . 1 1 31 31 ILE CG2 C 13 17.276 0.20 . 1 . . . A 31 ILE CG2 . 25289 2 148 . 1 1 31 31 ILE CD1 C 13 14.826 0.20 . 1 . . . A 31 ILE CD1 . 25289 2 149 . 1 1 32 32 GLY C C 13 171.818 0.20 . 1 . . . A 32 GLY C . 25289 2 150 . 1 1 32 32 GLY CA C 13 48.834 0.20 . 1 . . . A 32 GLY CA . 25289 2 151 . 1 1 33 33 LEU C C 13 173.617 0.20 . 1 . . . A 33 LEU C . 25289 2 152 . 1 1 33 33 LEU CA C 13 54.171 0.20 . 1 . . . A 33 LEU CA . 25289 2 153 . 1 1 33 33 LEU CB C 13 45.938 0.20 . 1 . . . A 33 LEU CB . 25289 2 154 . 1 1 33 33 LEU CG C 13 28.143 0.20 . 1 . . . A 33 LEU CG . 25289 2 155 . 1 1 33 33 LEU CD1 C 13 24.916 0.20 . 2 . . . A 33 LEU CD1 . 25289 2 156 . 1 1 33 33 LEU CD2 C 13 25.627 0.20 . 2 . . . A 33 LEU CD2 . 25289 2 157 . 1 1 34 34 MET C C 13 173.585 0.20 . 1 . . . A 34 MET C . 25289 2 158 . 1 1 34 34 MET CA C 13 53.826 0.20 . 1 . . . A 34 MET CA . 25289 2 159 . 1 1 34 34 MET CB C 13 37.292 0.20 . 1 . . . A 34 MET CB . 25289 2 160 . 1 1 34 34 MET CG C 13 32.466 0.20 . 1 . . . A 34 MET CG . 25289 2 161 . 1 1 34 34 MET CE C 13 18.732 0.20 . 1 . . . A 34 MET CE . 25289 2 162 . 1 1 35 35 VAL C C 13 176.295 0.20 . 1 . . . A 35 VAL C . 25289 2 163 . 1 1 35 35 VAL CA C 13 58.815 0.20 . 1 . . . A 35 VAL CA . 25289 2 164 . 1 1 35 35 VAL CB C 13 36.143 0.20 . 1 . . . A 35 VAL CB . 25289 2 165 . 1 1 35 35 VAL CG1 C 13 21.738 0.20 . 2 . . . A 35 VAL CG1 . 25289 2 166 . 1 1 36 36 GLY C C 13 174.029 0.20 . 1 . . . A 36 GLY C . 25289 2 167 . 1 1 36 36 GLY CA C 13 48.373 0.20 . 1 . . . A 36 GLY CA . 25289 2 168 . 1 1 37 37 GLY C C 13 169.855 0.20 . 1 . . . A 37 GLY C . 25289 2 169 . 1 1 37 37 GLY CA C 13 45.057 0.20 . 1 . . . A 37 GLY CA . 25289 2 170 . 1 1 38 38 VAL C C 13 173.131 0.20 . 1 . . . A 38 VAL C . 25289 2 171 . 1 1 38 38 VAL CA C 13 60.589 0.20 . 1 . . . A 38 VAL CA . 25289 2 172 . 1 1 38 38 VAL CB C 13 36.787 0.20 . 1 . . . A 38 VAL CB . 25289 2 173 . 1 1 38 38 VAL CG1 C 13 22.781 0.20 . 2 . . . A 38 VAL CG1 . 25289 2 174 . 1 1 38 38 VAL CG2 C 13 22.493 0.20 . 2 . . . A 38 VAL CG2 . 25289 2 175 . 1 1 39 39 VAL C C 13 179.129 0.20 . 1 . . . A 39 VAL C . 25289 2 176 . 1 1 39 39 VAL CA C 13 59.835 0.20 . 1 . . . A 39 VAL CA . 25289 2 177 . 1 1 39 39 VAL CB C 13 33.404 0.20 . 1 . . . A 39 VAL CB . 25289 2 178 . 1 1 39 39 VAL CG1 C 13 21.948 0.20 . 2 . . . A 39 VAL CG1 . 25289 2 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_shift_2-13C-glucose _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_2-13C-glucose _Assigned_chem_shift_list.Entry_ID 25289 _Assigned_chem_shift_list.ID 3 _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 12 'PDSD 4 s' . . . 25289 3 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 ASP C C 13 173.491 0.20 . 1 . . . A 1 ASP C . 25289 3 2 . 1 1 1 1 ASP CA C 13 54.092 0.20 . 1 . . . A 1 ASP CA . 25289 3 3 . 1 1 1 1 ASP CB C 13 40.984 0.20 . 1 . . . A 1 ASP CB . 25289 3 4 . 1 1 1 1 ASP CG C 13 179.402 0.20 . 1 . . . A 1 ASP CG . 25289 3 5 . 1 1 1 1 ASP N N 15 36.933 0.20 . 1 . . . A 1 ASP N . 25289 3 6 . 1 1 2 2 ALA CA C 13 51.921 0.20 . 1 . . . A 2 ALA CA . 25289 3 7 . 1 1 2 2 ALA N N 15 117.772 0.20 . 1 . . . A 2 ALA N . 25289 3 8 . 1 1 3 3 GLU C C 13 176.478 0.20 . 1 . . . A 3 GLU C . 25289 3 9 . 1 1 3 3 GLU CA C 13 62.518 0.20 . 1 . . . A 3 GLU CA . 25289 3 10 . 1 1 3 3 GLU CB C 13 29.578 0.20 . 1 . . . A 3 GLU CB . 25289 3 11 . 1 1 3 3 GLU CD C 13 183.579 0.20 . 1 . . . A 3 GLU CD . 25289 3 12 . 1 1 3 3 GLU N N 15 121.758 0.20 . 1 . . . A 3 GLU N . 25289 3 13 . 1 1 4 4 PHE C C 13 175.844 0.20 . 1 . . . A 4 PHE C . 25289 3 14 . 1 1 4 4 PHE CA C 13 58.035 0.20 . 1 . . . A 4 PHE CA . 25289 3 15 . 1 1 4 4 PHE CB C 13 41.712 0.20 . 1 . . . A 4 PHE CB . 25289 3 16 . 1 1 4 4 PHE CG C 13 137.149 0.20 . 1 . . . A 4 PHE CG . 25289 3 17 . 1 1 4 4 PHE CD1 C 13 133.015 0.20 . 3 . . . A 4 PHE CD1 . 25289 3 18 . 1 1 4 4 PHE CE1 C 13 132.106 0.20 . 3 . . . A 4 PHE CE1 . 25289 3 19 . 1 1 4 4 PHE CZ C 13 129.133 0.20 . 1 . . . A 4 PHE CZ . 25289 3 20 . 1 1 4 4 PHE N N 15 114.612 0.20 . 1 . . . A 4 PHE N . 25289 3 21 . 1 1 5 5 ARG C C 13 173.144 0.20 . 1 . . . A 5 ARG C . 25289 3 22 . 1 1 5 5 ARG CA C 13 54.569 0.20 . 1 . . . A 5 ARG CA . 25289 3 23 . 1 1 5 5 ARG CB C 13 33.604 0.20 . 1 . . . A 5 ARG CB . 25289 3 24 . 1 1 5 5 ARG CG C 13 27.443 0.20 . 1 . . . A 5 ARG CG . 25289 3 25 . 1 1 5 5 ARG CD C 13 43.646 0.20 . 1 . . . A 5 ARG CD . 25289 3 26 . 1 1 5 5 ARG N N 15 132.057 0.20 . 1 . . . A 5 ARG N . 25289 3 27 . 1 1 6 6 HIS CA C 13 51.156 0.20 . 1 . . . A 6 HIS CA . 25289 3 28 . 1 1 6 6 HIS CB C 13 32.343 0.20 . 1 . . . A 6 HIS CB . 25289 3 29 . 1 1 6 6 HIS CG C 13 131.164 0.20 . 1 . . . A 6 HIS CG . 25289 3 30 . 1 1 6 6 HIS CD2 C 13 117.231 0.20 . 1 . . . A 6 HIS CD2 . 25289 3 31 . 1 1 6 6 HIS CE1 C 13 137.067 0.20 . 1 . . . A 6 HIS CE1 . 25289 3 32 . 1 1 6 6 HIS N N 15 125.775 0.20 . 1 . . . A 6 HIS N . 25289 3 33 . 1 1 6 6 HIS ND1 N 15 181.912 0.20 . 1 . . . A 6 HIS ND1 . 25289 3 34 . 1 1 7 7 ASP C C 13 173.860 0.20 . 1 . . . A 7 ASP C . 25289 3 35 . 1 1 7 7 ASP CA C 13 52.525 0.20 . 1 . . . A 7 ASP CA . 25289 3 36 . 1 1 7 7 ASP N N 15 129.788 0.20 . 1 . . . A 7 ASP N . 25289 3 37 . 1 1 8 8 SER CA C 13 55.122 0.20 . 1 . . . A 8 SER CA . 25289 3 38 . 1 1 8 8 SER N N 15 116.505 0.20 . 1 . . . A 8 SER N . 25289 3 39 . 1 1 9 9 GLY C C 13 173.781 0.20 . 1 . . . A 9 GLY C . 25289 3 40 . 1 1 9 9 GLY CA C 13 47.253 0.20 . 1 . . . A 9 GLY CA . 25289 3 41 . 1 1 9 9 GLY N N 15 111.731 0.20 . 1 . . . A 9 GLY N . 25289 3 42 . 1 1 10 10 TYR CA C 13 58.068 0.20 . 1 . . . A 10 TYR CA . 25289 3 43 . 1 1 11 11 GLU CD C 13 183.541 0.20 . 1 . . . A 11 GLU CD . 25289 3 44 . 1 1 12 12 VAL C C 13 176.263 0.20 . 1 . . . A 12 VAL C . 25289 3 45 . 1 1 12 12 VAL CA C 13 60.535 0.20 . 1 . . . A 12 VAL CA . 25289 3 46 . 1 1 12 12 VAL CB C 13 34.863 0.20 . 1 . . . A 12 VAL CB . 25289 3 47 . 1 1 12 12 VAL N N 15 125.989 0.20 . 1 . . . A 12 VAL N . 25289 3 48 . 1 1 13 13 HIS CA C 13 50.399 0.20 . 1 . . . A 13 HIS CA . 25289 3 49 . 1 1 13 13 HIS CG C 13 132.808 0.20 . 1 . . . A 13 HIS CG . 25289 3 50 . 1 1 13 13 HIS CD2 C 13 113.890 0.20 . 1 . . . A 13 HIS CD2 . 25289 3 51 . 1 1 13 13 HIS CE1 C 13 139.721 0.20 . 1 . . . A 13 HIS CE1 . 25289 3 52 . 1 1 13 13 HIS N N 15 125.789 0.20 . 1 . . . A 13 HIS N . 25289 3 53 . 1 1 13 13 HIS ND1 N 15 191.224 0.20 . 1 . . . A 13 HIS ND1 . 25289 3 54 . 1 1 13 13 HIS NE2 N 15 170.128 0.20 . 1 . . . A 13 HIS NE2 . 25289 3 55 . 1 1 14 14 HIS CA C 13 54.927 0.20 . 1 . . . A 14 HIS CA . 25289 3 56 . 1 1 14 14 HIS CG C 13 135.875 0.20 . 1 . . . A 14 HIS CG . 25289 3 57 . 1 1 14 14 HIS CE1 C 13 138.006 0.20 . 1 . . . A 14 HIS CE1 . 25289 3 58 . 1 1 14 14 HIS N N 15 118.026 0.20 . 1 . . . A 14 HIS N . 25289 3 59 . 1 1 15 15 GLN CA C 13 54.770 0.20 . 1 . . . A 15 GLN CA . 25289 3 60 . 1 1 15 15 GLN CB C 13 33.077 0.20 . 1 . . . A 15 GLN CB . 25289 3 61 . 1 1 15 15 GLN CG C 13 30.410 0.20 . 1 . . . A 15 GLN CG . 25289 3 62 . 1 1 15 15 GLN CD C 13 176.309 0.20 . 1 . . . A 15 GLN CD . 25289 3 63 . 1 1 15 15 GLN N N 15 108.924 0.20 . 1 . . . A 15 GLN N . 25289 3 64 . 1 1 15 15 GLN NE2 N 15 108.571 0.20 . 1 . . . A 15 GLN NE2 . 25289 3 65 . 1 1 16 16 LYS C C 13 173.925 0.20 . 1 . . . A 16 LYS C . 25289 3 66 . 1 1 16 16 LYS CA C 13 55.140 0.20 . 1 . . . A 16 LYS CA . 25289 3 67 . 1 1 16 16 LYS CB C 13 36.672 0.20 . 1 . . . A 16 LYS CB . 25289 3 68 . 1 1 16 16 LYS CG C 13 25.817 0.20 . 1 . . . A 16 LYS CG . 25289 3 69 . 1 1 16 16 LYS CE C 13 42.101 0.20 . 1 . . . A 16 LYS CE . 25289 3 70 . 1 1 16 16 LYS N N 15 119.524 0.20 . 1 . . . A 16 LYS N . 25289 3 71 . 1 1 16 16 LYS NZ N 15 33.385 0.20 . 1 . . . A 16 LYS NZ . 25289 3 72 . 1 1 17 17 LEU C C 13 174.899 0.20 . 1 . . . A 17 LEU C . 25289 3 73 . 1 1 17 17 LEU CA C 13 54.471 0.20 . 1 . . . A 17 LEU CA . 25289 3 74 . 1 1 17 17 LEU CB C 13 44.654 0.20 . 1 . . . A 17 LEU CB . 25289 3 75 . 1 1 17 17 LEU CG C 13 30.412 0.20 . 1 . . . A 17 LEU CG . 25289 3 76 . 1 1 17 17 LEU CD1 C 13 24.987 0.20 . 2 . . . A 17 LEU CD1 . 25289 3 77 . 1 1 17 17 LEU N N 15 127.791 0.20 . 1 . . . A 17 LEU N . 25289 3 78 . 1 1 18 18 VAL C C 13 172.704 0.20 . 1 . . . A 18 VAL C . 25289 3 79 . 1 1 18 18 VAL CA C 13 61.741 0.20 . 1 . . . A 18 VAL CA . 25289 3 80 . 1 1 18 18 VAL CB C 13 33.885 0.20 . 1 . . . A 18 VAL CB . 25289 3 81 . 1 1 18 18 VAL N N 15 123.123 0.20 . 1 . . . A 18 VAL N . 25289 3 82 . 1 1 19 19 PHE C C 13 174.296 0.20 . 1 . . . A 19 PHE C . 25289 3 83 . 1 1 19 19 PHE CA C 13 55.556 0.20 . 1 . . . A 19 PHE CA . 25289 3 84 . 1 1 19 19 PHE CG C 13 142.561 0.20 . 1 . . . A 19 PHE CG . 25289 3 85 . 1 1 19 19 PHE N N 15 129.279 0.20 . 1 . . . A 19 PHE N . 25289 3 86 . 1 1 20 20 PHE CA C 13 58.692 0.20 . 1 . . . A 20 PHE CA . 25289 3 87 . 1 1 20 20 PHE CG C 13 142.304 0.20 . 1 . . . A 20 PHE CG . 25289 3 88 . 1 1 20 20 PHE CD1 C 13 131.752 0.20 . 3 . . . A 20 PHE CD1 . 25289 3 89 . 1 1 20 20 PHE CD2 C 13 131.870 0.20 . 3 . . . A 20 PHE CD2 . 25289 3 90 . 1 1 20 20 PHE CZ C 13 129.180 0.20 . 1 . . . A 20 PHE CZ . 25289 3 91 . 1 1 20 20 PHE N N 15 117.565 0.20 . 1 . . . A 20 PHE N . 25289 3 92 . 1 1 21 21 ALA CA C 13 48.935 0.20 . 1 . . . A 21 ALA CA . 25289 3 93 . 1 1 21 21 ALA N N 15 114.797 0.20 . 1 . . . A 21 ALA N . 25289 3 94 . 1 1 23 23 VAL CA C 13 58.370 0.20 . 1 . . . A 23 VAL CA . 25289 3 95 . 1 1 23 23 VAL CB C 13 36.845 0.20 . 1 . . . A 23 VAL CB . 25289 3 96 . 1 1 23 23 VAL N N 15 118.036 0.20 . 1 . . . A 23 VAL N . 25289 3 97 . 1 1 24 24 GLY C C 13 175.720 0.20 . 1 . . . A 24 GLY C . 25289 3 98 . 1 1 24 24 GLY CA C 13 48.897 0.20 . 1 . . . A 24 GLY CA . 25289 3 99 . 1 1 24 24 GLY N N 15 116.516 0.20 . 1 . . . A 24 GLY N . 25289 3 100 . 1 1 25 25 SER CA C 13 57.815 0.20 . 1 . . . A 25 SER CA . 25289 3 101 . 1 1 25 25 SER N N 15 113.850 0.20 . 1 . . . A 25 SER N . 25289 3 102 . 1 1 26 26 ASN C C 13 174.303 0.20 . 1 . . . A 26 ASN C . 25289 3 103 . 1 1 26 26 ASN CA C 13 52.712 0.20 . 1 . . . A 26 ASN CA . 25289 3 104 . 1 1 26 26 ASN CB C 13 40.725 0.20 . 1 . . . A 26 ASN CB . 25289 3 105 . 1 1 26 26 ASN CG C 13 174.159 0.20 . 1 . . . A 26 ASN CG . 25289 3 106 . 1 1 26 26 ASN N N 15 124.195 0.20 . 1 . . . A 26 ASN N . 25289 3 107 . 1 1 26 26 ASN ND2 N 15 112.972 0.20 . 1 . . . A 26 ASN ND2 . 25289 3 108 . 1 1 27 27 LYS C C 13 174.333 0.20 . 1 . . . A 27 LYS C . 25289 3 109 . 1 1 27 27 LYS CA C 13 54.781 0.20 . 1 . . . A 27 LYS CA . 25289 3 110 . 1 1 27 27 LYS CB C 13 39.365 0.20 . 1 . . . A 27 LYS CB . 25289 3 111 . 1 1 27 27 LYS CG C 13 25.323 0.20 . 1 . . . A 27 LYS CG . 25289 3 112 . 1 1 27 27 LYS CE C 13 41.676 0.20 . 1 . . . A 27 LYS CE . 25289 3 113 . 1 1 27 27 LYS N N 15 119.572 0.20 . 1 . . . A 27 LYS N . 25289 3 114 . 1 1 27 27 LYS NZ N 15 33.768 0.20 . 1 . . . A 27 LYS NZ . 25289 3 115 . 1 1 28 28 GLY C C 13 170.751 0.20 . 1 . . . A 28 GLY C . 25289 3 116 . 1 1 28 28 GLY CA C 13 45.086 0.20 . 1 . . . A 28 GLY CA . 25289 3 117 . 1 1 28 28 GLY N N 15 110.001 0.20 . 1 . . . A 28 GLY N . 25289 3 118 . 1 1 29 29 ALA CA C 13 50.064 0.20 . 1 . . . A 29 ALA CA . 25289 3 119 . 1 1 29 29 ALA N N 15 131.032 0.20 . 1 . . . A 29 ALA N . 25289 3 120 . 1 1 30 30 ILE C C 13 174.388 0.20 . 1 . . . A 30 ILE C . 25289 3 121 . 1 1 30 30 ILE CA C 13 57.734 0.20 . 1 . . . A 30 ILE CA . 25289 3 122 . 1 1 30 30 ILE CD1 C 13 12.703 0.20 . 1 . . . A 30 ILE CD1 . 25289 3 123 . 1 1 30 30 ILE N N 15 123.344 0.20 . 1 . . . A 30 ILE N . 25289 3 124 . 1 1 31 31 ILE C C 13 175.833 0.20 . 1 . . . A 31 ILE C . 25289 3 125 . 1 1 31 31 ILE CA C 13 58.152 0.20 . 1 . . . A 31 ILE CA . 25289 3 126 . 1 1 31 31 ILE CB C 13 41.730 0.20 . 1 . . . A 31 ILE CB . 25289 3 127 . 1 1 31 31 ILE CG1 C 13 27.163 0.20 . 1 . . . A 31 ILE CG1 . 25289 3 128 . 1 1 31 31 ILE CG2 C 13 17.180 0.20 . 1 . . . A 31 ILE CG2 . 25289 3 129 . 1 1 31 31 ILE CD1 C 13 14.274 0.20 . 1 . . . A 31 ILE CD1 . 25289 3 130 . 1 1 31 31 ILE N N 15 124.839 0.20 . 1 . . . A 31 ILE N . 25289 3 131 . 1 1 32 32 GLY C C 13 171.518 0.20 . 1 . . . A 32 GLY C . 25289 3 132 . 1 1 32 32 GLY CA C 13 48.750 0.20 . 1 . . . A 32 GLY CA . 25289 3 133 . 1 1 32 32 GLY N N 15 113.865 0.20 . 1 . . . A 32 GLY N . 25289 3 134 . 1 1 33 33 LEU C C 13 173.634 0.20 . 1 . . . A 33 LEU C . 25289 3 135 . 1 1 33 33 LEU CA C 13 54.140 0.20 . 1 . . . A 33 LEU CA . 25289 3 136 . 1 1 33 33 LEU CB C 13 45.841 0.20 . 1 . . . A 33 LEU CB . 25289 3 137 . 1 1 33 33 LEU CG C 13 28.153 0.20 . 1 . . . A 33 LEU CG . 25289 3 138 . 1 1 33 33 LEU CD1 C 13 24.873 0.20 . 2 . . . A 33 LEU CD1 . 25289 3 139 . 1 1 33 33 LEU CD2 C 13 25.534 0.20 . 2 . . . A 33 LEU CD2 . 25289 3 140 . 1 1 33 33 LEU N N 15 125.287 0.20 . 1 . . . A 33 LEU N . 25289 3 141 . 1 1 34 34 MET C C 13 173.567 0.20 . 1 . . . A 34 MET C . 25289 3 142 . 1 1 34 34 MET CA C 13 53.659 0.20 . 1 . . . A 34 MET CA . 25289 3 143 . 1 1 34 34 MET CB C 13 37.251 0.20 . 1 . . . A 34 MET CB . 25289 3 144 . 1 1 34 34 MET CG C 13 32.448 0.20 . 1 . . . A 34 MET CG . 25289 3 145 . 1 1 34 34 MET CE C 13 18.523 0.20 . 1 . . . A 34 MET CE . 25289 3 146 . 1 1 34 34 MET N N 15 126.605 0.20 . 1 . . . A 34 MET N . 25289 3 147 . 1 1 35 35 VAL C C 13 176.291 0.20 . 1 . . . A 35 VAL C . 25289 3 148 . 1 1 35 35 VAL CA C 13 58.731 0.20 . 1 . . . A 35 VAL CA . 25289 3 149 . 1 1 35 35 VAL CB C 13 36.095 0.20 . 1 . . . A 35 VAL CB . 25289 3 150 . 1 1 35 35 VAL CG1 C 13 21.661 0.20 . 2 . . . A 35 VAL CG1 . 25289 3 151 . 1 1 35 35 VAL N N 15 125.094 0.20 . 1 . . . A 35 VAL N . 25289 3 152 . 1 1 36 36 GLY C C 13 173.978 0.20 . 1 . . . A 36 GLY C . 25289 3 153 . 1 1 36 36 GLY CA C 13 48.367 0.20 . 1 . . . A 36 GLY CA . 25289 3 154 . 1 1 36 36 GLY N N 15 117.127 0.20 . 1 . . . A 36 GLY N . 25289 3 155 . 1 1 37 37 GLY C C 13 169.671 0.20 . 1 . . . A 37 GLY C . 25289 3 156 . 1 1 37 37 GLY CA C 13 44.978 0.20 . 1 . . . A 37 GLY CA . 25289 3 157 . 1 1 37 37 GLY N N 15 105.300 0.20 . 1 . . . A 37 GLY N . 25289 3 158 . 1 1 38 38 VAL C C 13 173.132 0.20 . 1 . . . A 38 VAL C . 25289 3 159 . 1 1 38 38 VAL CA C 13 60.610 0.20 . 1 . . . A 38 VAL CA . 25289 3 160 . 1 1 38 38 VAL CB C 13 36.694 0.20 . 1 . . . A 38 VAL CB . 25289 3 161 . 1 1 38 38 VAL CG1 C 13 22.864 0.20 . 2 . . . A 38 VAL CG1 . 25289 3 162 . 1 1 38 38 VAL N N 15 118.391 0.20 . 1 . . . A 38 VAL N . 25289 3 163 . 1 1 39 39 VAL CA C 13 59.881 0.20 . 1 . . . A 39 VAL CA . 25289 3 164 . 1 1 39 39 VAL CB C 13 33.436 0.20 . 1 . . . A 39 VAL CB . 25289 3 165 . 1 1 39 39 VAL CG1 C 13 21.817 0.20 . 2 . . . A 39 VAL CG1 . 25289 3 166 . 1 1 39 39 VAL N N 15 127.547 0.20 . 1 . . . A 39 VAL N . 25289 3 stop_ save_