################################### # 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 52308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human ZNF706' _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 . _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 1H-13C HSQC' . . . 52308 1 2 '2D 1H-15N TROSY' . . . 52308 1 3 '3D CBCACONH' . . . 52308 1 4 '3D CBCANH' . . . 52308 1 5 '3D HNCO' . . . 52308 1 6 '3D HNCA' . . . 52308 1 7 '3D HN(CA)CO' . . . 52308 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 $software_1 . . 52308 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 ALA H H 1 8.197 . . . . . . . . 2 A HN . 52308 1 2 . 1 . 1 2 2 ALA C C 13 174.921 . . . . . . . . 2 A C . 52308 1 3 . 1 . 1 2 2 ALA CA C 13 49.615 . . . . . . . . 2 A CA . 52308 1 4 . 1 . 1 2 2 ALA CB C 13 15.971 . . . . . . . . 2 A CB . 52308 1 5 . 1 . 1 2 2 ALA N N 15 126.431 . . . . . . . . 2 A N . 52308 1 6 . 1 . 1 3 3 ARG H H 1 8.186 . . . . . . . . 3 R HN . 52308 1 7 . 1 . 1 3 3 ARG C C 13 174.351 . . . . . . . . 3 R C . 52308 1 8 . 1 . 1 3 3 ARG CA C 13 53.581 . . . . . . . . 3 R CA . 52308 1 9 . 1 . 1 3 3 ARG CB C 13 27.722 . . . . . . . . 3 R CB . 52308 1 10 . 1 . 1 3 3 ARG N N 15 121.446 . . . . . . . . 3 R N . 52308 1 11 . 1 . 1 4 4 GLY H H 1 8.280 . . . . . . . . 4 G HN . 52308 1 12 . 1 . 1 4 4 GLY C C 13 175.219 . . . . . . . . 4 G C . 52308 1 13 . 1 . 1 4 4 GLY CA C 13 42.411 . . . . . . . . 4 G CA . 52308 1 14 . 1 . 1 4 4 GLY N N 15 110.475 . . . . . . . . 4 G N . 52308 1 15 . 1 . 1 5 5 GLN H H 1 7.984 . . . . . . . . 5 Q HN . 52308 1 16 . 1 . 1 5 5 GLN C C 13 173.337 . . . . . . . . 5 Q C . 52308 1 17 . 1 . 1 5 5 GLN CA C 13 53.021 . . . . . . . . 5 Q CA . 52308 1 18 . 1 . 1 5 5 GLN CB C 13 26.342 . . . . . . . . 5 Q CB . 52308 1 19 . 1 . 1 5 5 GLN N N 15 120.301 . . . . . . . . 5 Q N . 52308 1 20 . 1 . 1 6 6 GLN H H 1 8.220 . . . . . . . . 6 Q HN . 52308 1 21 . 1 . 1 6 6 GLN C C 13 173.715 . . . . . . . . 6 Q C . 52308 1 22 . 1 . 1 6 6 GLN CA C 13 53.399 . . . . . . . . 6 Q CA . 52308 1 23 . 1 . 1 6 6 GLN CB C 13 30.141 . . . . . . . . 6 Q CB . 52308 1 24 . 1 . 1 6 6 GLN N N 15 122.313 . . . . . . . . 6 Q N . 52308 1 25 . 1 . 1 7 7 LYS H H 1 8.216 . . . . . . . . 7 K HN . 52308 1 26 . 1 . 1 7 7 LYS CA C 13 53.387 . . . . . . . . 7 K CA . 52308 1 27 . 1 . 1 7 7 LYS CB C 13 29.960 . . . . . . . . 7 K CB . 52308 1 28 . 1 . 1 7 7 LYS N N 15 124.200 . . . . . . . . 7 K N . 52308 1 29 . 1 . 1 8 8 ILE H H 1 8.313 . . . . . . . . 8 I HN . 52308 1 30 . 1 . 1 8 8 ILE N N 15 123.025 . . . . . . . . 8 I N . 52308 1 31 . 1 . 1 9 9 GLN H H 1 8.189 . . . . . . . . 9 Q HN . 52308 1 32 . 1 . 1 9 9 GLN C C 13 173.411 . . . . . . . . 9 Q C . 52308 1 33 . 1 . 1 9 9 GLN CA C 13 53.065 . . . . . . . . 9 Q CA . 52308 1 34 . 1 . 1 9 9 GLN CB C 13 26.313 . . . . . . . . 9 Q CB . 52308 1 35 . 1 . 1 9 9 GLN N N 15 118.210 . . . . . . . . 9 Q N . 52308 1 36 . 1 . 1 10 10 SER H H 1 8.191 . . . . . . . . 10 S HN . 52308 1 37 . 1 . 1 10 10 SER C C 13 171.934 . . . . . . . . 10 S C . 52308 1 38 . 1 . 1 10 10 SER CA C 13 55.900 . . . . . . . . 10 S CA . 52308 1 39 . 1 . 1 10 10 SER CB C 13 60.591 . . . . . . . . 10 S CB . 52308 1 40 . 1 . 1 10 10 SER N N 15 118.176 . . . . . . . . 10 S N . 52308 1 41 . 1 . 1 11 11 GLN H H 1 8.186 . . . . . . . . 11 Q HN . 52308 1 42 . 1 . 1 11 11 GLN C C 13 173.924 . . . . . . . . 11 Q C . 52308 1 43 . 1 . 1 11 11 GLN CA C 13 53.687 . . . . . . . . 11 Q CA . 52308 1 44 . 1 . 1 11 11 GLN CB C 13 29.919 . . . . . . . . 11 Q CB . 52308 1 45 . 1 . 1 11 11 GLN N N 15 122.480 . . . . . . . . 11 Q N . 52308 1 46 . 1 . 1 12 12 GLN H H 1 8.176 . . . . . . . . 12 Q HN . 52308 1 47 . 1 . 1 12 12 GLN CA C 13 52.863 . . . . . . . . 12 Q CA . 52308 1 48 . 1 . 1 12 12 GLN CB C 13 26.387 . . . . . . . . 12 Q CB . 52308 1 49 . 1 . 1 12 12 GLN N N 15 122.435 . . . . . . . . 12 Q N . 52308 1 50 . 1 . 1 13 13 LYS C C 13 173.821 . . . . . . . . 13 K C . 52308 1 51 . 1 . 1 14 14 ASN H H 1 8.211 . . . . . . . . 14 N HN . 52308 1 52 . 1 . 1 14 14 ASN C C 13 172.232 . . . . . . . . 14 N C . 52308 1 53 . 1 . 1 14 14 ASN CA C 13 50.471 . . . . . . . . 14 N CA . 52308 1 54 . 1 . 1 14 14 ASN CB C 13 35.627 . . . . . . . . 14 N CB . 52308 1 55 . 1 . 1 14 14 ASN N N 15 119.929 . . . . . . . . 14 N N . 52308 1 56 . 1 . 1 15 15 ALA H H 1 7.971 . . . . . . . . 15 A HN . 52308 1 57 . 1 . 1 15 15 ALA C C 13 175.154 . . . . . . . . 15 A C . 52308 1 58 . 1 . 1 15 15 ALA CA C 13 49.942 . . . . . . . . 15 A CA . 52308 1 59 . 1 . 1 15 15 ALA CB C 13 16.104 . . . . . . . . 15 A CB . 52308 1 60 . 1 . 1 15 15 ALA N N 15 125.016 . . . . . . . . 15 A N . 52308 1 61 . 1 . 1 16 16 LYS H H 1 8.008 . . . . . . . . 16 K HN . 52308 1 62 . 1 . 1 16 16 LYS C C 13 173.601 . . . . . . . . 16 K C . 52308 1 63 . 1 . 1 16 16 LYS CA C 13 53.489 . . . . . . . . 16 K CA . 52308 1 64 . 1 . 1 16 16 LYS CB C 13 29.931 . . . . . . . . 16 K CB . 52308 1 65 . 1 . 1 16 16 LYS N N 15 121.036 . . . . . . . . 16 K N . 52308 1 66 . 1 . 1 17 17 LYS H H 1 8.294 . . . . . . . . 17 K HN . 52308 1 67 . 1 . 1 17 17 LYS C C 13 174.105 . . . . . . . . 17 K C . 52308 1 68 . 1 . 1 17 17 LYS CA C 13 53.624 . . . . . . . . 17 K CA . 52308 1 69 . 1 . 1 17 17 LYS CB C 13 29.854 . . . . . . . . 17 K CB . 52308 1 70 . 1 . 1 17 17 LYS N N 15 123.027 . . . . . . . . 17 K N . 52308 1 71 . 1 . 1 18 18 GLN H H 1 8.045 . . . . . . . . 18 Q HN . 52308 1 72 . 1 . 1 18 18 GLN C C 13 174.051 . . . . . . . . 18 Q C . 52308 1 73 . 1 . 1 18 18 GLN CA C 13 53.916 . . . . . . . . 18 Q CA . 52308 1 74 . 1 . 1 18 18 GLN CB C 13 29.667 . . . . . . . . 18 Q CB . 52308 1 75 . 1 . 1 18 18 GLN N N 15 123.470 . . . . . . . . 18 Q N . 52308 1 76 . 1 . 1 19 19 ALA H H 1 7.932 . . . . . . . . 19 A HN . 52308 1 77 . 1 . 1 19 19 ALA C C 13 175.579 . . . . . . . . 19 A C . 52308 1 78 . 1 . 1 19 19 ALA CA C 13 49.948 . . . . . . . . 19 A CA . 52308 1 79 . 1 . 1 19 19 ALA CB C 13 16.195 . . . . . . . . 19 A CB . 52308 1 80 . 1 . 1 19 19 ALA N N 15 125.238 . . . . . . . . 19 A N . 52308 1 81 . 1 . 1 20 20 GLY H H 1 8.205 . . . . . . . . 20 G HN . 52308 1 82 . 1 . 1 20 20 GLY C C 13 171.456 . . . . . . . . 20 G C . 52308 1 83 . 1 . 1 20 20 GLY CA C 13 42.379 . . . . . . . . 20 G CA . 52308 1 84 . 1 . 1 20 20 GLY N N 15 108.759 . . . . . . . . 20 G N . 52308 1 85 . 1 . 1 21 21 GLN H H 1 8.003 . . . . . . . . 21 Q HN . 52308 1 86 . 1 . 1 21 21 GLN C C 13 173.799 . . . . . . . . 21 Q C . 52308 1 87 . 1 . 1 21 21 GLN CA C 13 53.229 . . . . . . . . 21 Q CA . 52308 1 88 . 1 . 1 21 21 GLN CB C 13 26.449 . . . . . . . . 21 Q CB . 52308 1 89 . 1 . 1 21 21 GLN N N 15 120.388 . . . . . . . . 21 Q N . 52308 1 90 . 1 . 1 22 22 LYS H H 1 8.156 . . . . . . . . 22 K HN . 52308 1 91 . 1 . 1 22 22 LYS C C 13 173.617 . . . . . . . . 22 K C . 52308 1 92 . 1 . 1 22 22 LYS CA C 13 53.493 . . . . . . . . 22 K CA . 52308 1 93 . 1 . 1 22 22 LYS CB C 13 29.898 . . . . . . . . 22 K CB . 52308 1 94 . 1 . 1 22 22 LYS N N 15 123.836 . . . . . . . . 22 K N . 52308 1 95 . 1 . 1 23 23 LYS H H 1 8.028 . . . . . . . . 23 K HN . 52308 1 96 . 1 . 1 23 23 LYS C C 13 175.155 . . . . . . . . 23 K C . 52308 1 97 . 1 . 1 23 23 LYS CA C 13 53.876 . . . . . . . . 23 K CA . 52308 1 98 . 1 . 1 23 23 LYS CB C 13 29.626 . . . . . . . . 23 K CB . 52308 1 99 . 1 . 1 23 23 LYS N N 15 122.632 . . . . . . . . 23 K N . 52308 1 100 . 1 . 1 24 24 LYS H H 1 7.956 . . . . . . . . 24 K HN . 52308 1 101 . 1 . 1 24 24 LYS C C 13 173.689 . . . . . . . . 24 K C . 52308 1 102 . 1 . 1 24 24 LYS CA C 13 58.433 . . . . . . . . 24 K CA . 52308 1 103 . 1 . 1 24 24 LYS CB C 13 35.426 . . . . . . . . 24 K CB . 52308 1 104 . 1 . 1 24 24 LYS N N 15 123.727 . . . . . . . . 24 K N . 52308 1 105 . 1 . 1 25 25 GLN H H 1 8.302 . . . . . . . . 25 Q HN . 52308 1 106 . 1 . 1 25 25 GLN C C 13 173.577 . . . . . . . . 25 Q C . 52308 1 107 . 1 . 1 25 25 GLN CA C 13 53.116 . . . . . . . . 25 Q CA . 52308 1 108 . 1 . 1 25 25 GLN CB C 13 26.646 . . . . . . . . 25 Q CB . 52308 1 109 . 1 . 1 25 25 GLN N N 15 125.503 . . . . . . . . 25 Q N . 52308 1 110 . 1 . 1 26 26 GLY H H 1 8.310 . . . . . . . . 26 G HN . 52308 1 111 . 1 . 1 26 26 GLY C C 13 171.299 . . . . . . . . 26 G C . 52308 1 112 . 1 . 1 26 26 GLY CA C 13 42.270 . . . . . . . . 26 G CA . 52308 1 113 . 1 . 1 26 26 GLY N N 15 111.300 . . . . . . . . 26 G N . 52308 1 114 . 1 . 1 27 27 HIS H H 1 7.958 . . . . . . . . 27 H HN . 52308 1 115 . 1 . 1 27 27 HIS C C 13 173.423 . . . . . . . . 27 H C . 52308 1 116 . 1 . 1 27 27 HIS CA C 13 51.236 . . . . . . . . 27 H CA . 52308 1 117 . 1 . 1 27 27 HIS CB C 13 26.501 . . . . . . . . 27 H CB . 52308 1 118 . 1 . 1 27 27 HIS N N 15 120.345 . . . . . . . . 27 H N . 52308 1 119 . 1 . 1 28 28 ASP H H 1 8.117 . . . . . . . . 28 D HN . 52308 1 120 . 1 . 1 28 28 ASP C C 13 172.618 . . . . . . . . 28 D C . 52308 1 121 . 1 . 1 28 28 ASP CA C 13 51.226 . . . . . . . . 28 D CA . 52308 1 122 . 1 . 1 28 28 ASP CB C 13 37.745 . . . . . . . . 28 D CB . 52308 1 123 . 1 . 1 28 28 ASP N N 15 121.947 . . . . . . . . 28 D N . 52308 1 124 . 1 . 1 29 29 GLN H H 1 8.089 . . . . . . . . 29 Q HN . 52308 1 125 . 1 . 1 29 29 GLN CA C 13 53.439 . . . . . . . . 29 Q CA . 52308 1 126 . 1 . 1 29 29 GLN CB C 13 26.084 . . . . . . . . 29 Q CB . 52308 1 127 . 1 . 1 29 29 GLN N N 15 121.881 . . . . . . . . 29 Q N . 52308 1 128 . 1 . 1 30 30 LYS H H 1 8.186 . . . . . . . . 30 K HN . 52308 1 129 . 1 . 1 30 30 LYS C C 13 173.081 . . . . . . . . 30 K C . 52308 1 130 . 1 . 1 30 30 LYS CA C 13 52.459 . . . . . . . . 30 K CA . 52308 1 131 . 1 . 1 30 30 LYS CB C 13 29.890 . . . . . . . . 30 K CB . 52308 1 132 . 1 . 1 30 30 LYS N N 15 126.396 . . . . . . . . 30 K N . 52308 1 133 . 1 . 1 31 31 ALA H H 1 8.184 . . . . . . . . 31 A HN . 52308 1 134 . 1 . 1 31 31 ALA C C 13 175.083 . . . . . . . . 31 A C . 52308 1 135 . 1 . 1 31 31 ALA CA C 13 49.740 . . . . . . . . 31 A CA . 52308 1 136 . 1 . 1 31 31 ALA CB C 13 15.954 . . . . . . . . 31 A CB . 52308 1 137 . 1 . 1 31 31 ALA N N 15 126.403 . . . . . . . . 31 A N . 52308 1 138 . 1 . 1 32 32 ALA H H 1 7.926 . . . . . . . . 32 A HN . 52308 1 139 . 1 . 1 32 32 ALA C C 13 173.859 . . . . . . . . 32 A C . 52308 1 140 . 1 . 1 32 32 ALA CA C 13 53.675 . . . . . . . . 32 A CA . 52308 1 141 . 1 . 1 32 32 ALA CB C 13 15.932 . . . . . . . . 32 A CB . 52308 1 142 . 1 . 1 32 32 ALA N N 15 123.744 . . . . . . . . 32 A N . 52308 1 143 . 1 . 1 33 33 ALA H H 1 7.972 . . . . . . . . 33 A HN . 52308 1 144 . 1 . 1 33 33 ALA C C 13 175.232 . . . . . . . . 33 A C . 52308 1 145 . 1 . 1 33 33 ALA CA C 13 49.690 . . . . . . . . 33 A CA . 52308 1 146 . 1 . 1 33 33 ALA CB C 13 15.935 . . . . . . . . 33 A CB . 52308 1 147 . 1 . 1 33 33 ALA N N 15 123.467 . . . . . . . . 33 A N . 52308 1 148 . 1 . 1 34 34 LYS H H 1 7.918 . . . . . . . . 34 K HN . 52308 1 149 . 1 . 1 34 34 LYS C C 13 173.703 . . . . . . . . 34 K C . 52308 1 150 . 1 . 1 34 34 LYS CA C 13 53.588 . . . . . . . . 34 K CA . 52308 1 151 . 1 . 1 34 34 LYS CB C 13 29.832 . . . . . . . . 34 K CB . 52308 1 152 . 1 . 1 34 34 LYS N N 15 121.189 . . . . . . . . 34 K N . 52308 1 153 . 1 . 1 35 35 ALA H H 1 7.938 . . . . . . . . 35 A HN . 52308 1 154 . 1 . 1 35 35 ALA C C 13 174.465 . . . . . . . . 35 A C . 52308 1 155 . 1 . 1 35 35 ALA CA C 13 49.575 . . . . . . . . 35 A CA . 52308 1 156 . 1 . 1 35 35 ALA CB C 13 16.123 . . . . . . . . 35 A CB . 52308 1 157 . 1 . 1 35 35 ALA N N 15 125.561 . . . . . . . . 35 A N . 52308 1 158 . 1 . 1 36 36 ALA H H 1 7.872 . . . . . . . . 36 A HN . 52308 1 159 . 1 . 1 36 36 ALA C C 13 174.438 . . . . . . . . 36 A C . 52308 1 160 . 1 . 1 36 36 ALA CA C 13 49.209 . . . . . . . . 36 A CA . 52308 1 161 . 1 . 1 36 36 ALA CB C 13 16.095 . . . . . . . . 36 A CB . 52308 1 162 . 1 . 1 36 36 ALA N N 15 123.771 . . . . . . . . 36 A N . 52308 1 163 . 1 . 1 37 37 LEU H H 1 7.812 . . . . . . . . 37 L HN . 52308 1 164 . 1 . 1 37 37 LEU C C 13 172.928 . . . . . . . . 37 L C . 52308 1 165 . 1 . 1 37 37 LEU CA C 13 51.992 . . . . . . . . 37 L CA . 52308 1 166 . 1 . 1 37 37 LEU CB C 13 39.266 . . . . . . . . 37 L CB . 52308 1 167 . 1 . 1 37 37 LEU N N 15 122.657 . . . . . . . . 37 L N . 52308 1 168 . 1 . 1 38 38 ILE H H 1 7.334 . . . . . . . . 38 I HN . 52308 1 169 . 1 . 1 38 38 ILE C C 13 172.162 . . . . . . . . 38 I C . 52308 1 170 . 1 . 1 38 38 ILE CA C 13 57.132 . . . . . . . . 38 I CA . 52308 1 171 . 1 . 1 38 38 ILE CB C 13 38.835 . . . . . . . . 38 I CB . 52308 1 172 . 1 . 1 38 38 ILE N N 15 120.197 . . . . . . . . 38 I N . 52308 1 173 . 1 . 1 39 39 TYR H H 1 8.022 . . . . . . . . 39 Y HN . 52308 1 174 . 1 . 1 39 39 TYR C C 13 171.708 . . . . . . . . 39 Y C . 52308 1 175 . 1 . 1 39 39 TYR CA C 13 54.155 . . . . . . . . 39 Y CA . 52308 1 176 . 1 . 1 39 39 TYR CB C 13 35.413 . . . . . . . . 39 Y CB . 52308 1 177 . 1 . 1 39 39 TYR N N 15 125.663 . . . . . . . . 39 Y N . 52308 1 178 . 1 . 1 40 40 THR H H 1 8.100 . . . . . . . . 40 T HN . 52308 1 179 . 1 . 1 40 40 THR C C 13 170.317 . . . . . . . . 40 T C . 52308 1 180 . 1 . 1 40 40 THR CA C 13 58.808 . . . . . . . . 40 T CA . 52308 1 181 . 1 . 1 40 40 THR CB C 13 67.131 . . . . . . . . 40 T CB . 52308 1 182 . 1 . 1 40 40 THR N N 15 119.417 . . . . . . . . 40 T N . 52308 1 183 . 1 . 1 41 41 CYS H H 1 8.365 . . . . . . . . 41 C HN . 52308 1 184 . 1 . 1 41 41 CYS C C 13 174.522 . . . . . . . . 41 C C . 52308 1 185 . 1 . 1 41 41 CYS CA C 13 57.601 . . . . . . . . 41 C CA . 52308 1 186 . 1 . 1 41 41 CYS CB C 13 26.434 . . . . . . . . 41 C CB . 52308 1 187 . 1 . 1 41 41 CYS N N 15 128.736 . . . . . . . . 41 C N . 52308 1 188 . 1 . 1 42 42 THR H H 1 8.445 . . . . . . . . 42 T HN . 52308 1 189 . 1 . 1 42 42 THR C C 13 172.326 . . . . . . . . 42 T C . 52308 1 190 . 1 . 1 42 42 THR CA C 13 61.209 . . . . . . . . 42 T CA . 52308 1 191 . 1 . 1 42 42 THR CB C 13 65.725 . . . . . . . . 42 T CB . 52308 1 192 . 1 . 1 42 42 THR N N 15 122.905 . . . . . . . . 42 T N . 52308 1 193 . 1 . 1 43 43 VAL H H 1 8.586 . . . . . . . . 43 V HN . 52308 1 194 . 1 . 1 43 43 VAL C C 13 175.022 . . . . . . . . 43 V C . 52308 1 195 . 1 . 1 43 43 VAL CA C 13 62.314 . . . . . . . . 43 V CA . 52308 1 196 . 1 . 1 43 43 VAL CB C 13 29.262 . . . . . . . . 43 V CB . 52308 1 197 . 1 . 1 43 43 VAL N N 15 124.984 . . . . . . . . 43 V N . 52308 1 198 . 1 . 1 44 44 CYS H H 1 7.739 . . . . . . . . 44 C HN . 52308 1 199 . 1 . 1 44 44 CYS CA C 13 57.309 . . . . . . . . 44 C CA . 52308 1 200 . 1 . 1 44 44 CYS CB C 13 28.994 . . . . . . . . 44 C CB . 52308 1 201 . 1 . 1 44 44 CYS N N 15 120.151 . . . . . . . . 44 C N . 52308 1 202 . 1 . 1 45 45 ARG H H 1 8.511 . . . . . . . . 45 R HN . 52308 1 203 . 1 . 1 45 45 ARG C C 13 176.528 . . . . . . . . 45 R C . 52308 1 204 . 1 . 1 45 45 ARG CA C 13 57.333 . . . . . . . . 45 R CA . 52308 1 205 . 1 . 1 45 45 ARG CB C 13 28.948 . . . . . . . . 45 R CB . 52308 1 206 . 1 . 1 45 45 ARG N N 15 116.616 . . . . . . . . 45 R N . 52308 1 207 . 1 . 1 46 46 THR H H 1 8.512 . . . . . . . . 46 T HN . 52308 1 208 . 1 . 1 46 46 THR C C 13 175.204 . . . . . . . . 46 T C . 52308 1 209 . 1 . 1 46 46 THR CA C 13 62.995 . . . . . . . . 46 T CA . 52308 1 210 . 1 . 1 46 46 THR CB C 13 65.480 . . . . . . . . 46 T CB . 52308 1 211 . 1 . 1 46 46 THR N N 15 116.608 . . . . . . . . 46 T N . 52308 1 212 . 1 . 1 47 47 GLN H H 1 7.702 . . . . . . . . 47 Q HN . 52308 1 213 . 1 . 1 47 47 GLN C C 13 173.823 . . . . . . . . 47 Q C . 52308 1 214 . 1 . 1 47 47 GLN CA C 13 55.945 . . . . . . . . 47 Q CA . 52308 1 215 . 1 . 1 47 47 GLN CB C 13 35.776 . . . . . . . . 47 Q CB . 52308 1 216 . 1 . 1 47 47 GLN N N 15 123.662 . . . . . . . . 47 Q N . 52308 1 217 . 1 . 1 48 48 MET H H 1 8.221 . . . . . . . . 48 M HN . 52308 1 218 . 1 . 1 48 48 MET CA C 13 57.788 . . . . . . . . 48 M CA . 52308 1 219 . 1 . 1 48 48 MET CB C 13 29.654 . . . . . . . . 48 M CB . 52308 1 220 . 1 . 1 48 48 MET N N 15 121.495 . . . . . . . . 48 M N . 52308 1 221 . 1 . 1 55 55 LYS H H 1 7.767 . . . . . . . . 55 K HN . 52308 1 222 . 1 . 1 55 55 LYS C C 13 174.801 . . . . . . . . 55 K C . 52308 1 223 . 1 . 1 55 55 LYS CA C 13 57.787 . . . . . . . . 55 K CA . 52308 1 224 . 1 . 1 55 55 LYS CB C 13 29.654 . . . . . . . . 55 K CB . 52308 1 225 . 1 . 1 55 55 LYS N N 15 117.495 . . . . . . . . 55 K N . 52308 1 226 . 1 . 1 56 56 GLN H H 1 7.772 . . . . . . . . 56 Q HN . 52308 1 227 . 1 . 1 56 56 GLN C C 13 176.480 . . . . . . . . 56 Q C . 52308 1 228 . 1 . 1 56 56 GLN CA C 13 55.859 . . . . . . . . 56 Q CA . 52308 1 229 . 1 . 1 56 56 GLN CB C 13 25.282 . . . . . . . . 56 Q CB . 52308 1 230 . 1 . 1 56 56 GLN N N 15 117.516 . . . . . . . . 56 Q N . 52308 1 231 . 1 . 1 57 57 HIS H H 1 8.152 . . . . . . . . 57 H HN . 52308 1 232 . 1 . 1 57 57 HIS C C 13 172.773 . . . . . . . . 57 H C . 52308 1 233 . 1 . 1 57 57 HIS CA C 13 56.730 . . . . . . . . 57 H CA . 52308 1 234 . 1 . 1 57 57 HIS CB C 13 25.462 . . . . . . . . 57 H CB . 52308 1 235 . 1 . 1 57 57 HIS N N 15 120.461 . . . . . . . . 57 H N . 52308 1 236 . 1 . 1 58 58 PHE H H 1 8.352 . . . . . . . . 58 F HN . 52308 1 237 . 1 . 1 58 58 PHE C C 13 175.156 . . . . . . . . 58 F C . 52308 1 238 . 1 . 1 58 58 PHE CA C 13 60.266 . . . . . . . . 58 F CA . 52308 1 239 . 1 . 1 58 58 PHE CB C 13 37.035 . . . . . . . . 58 F CB . 52308 1 240 . 1 . 1 58 58 PHE N N 15 121.915 . . . . . . . . 58 F N . 52308 1 241 . 1 . 1 59 59 GLU H H 1 7.979 . . . . . . . . 59 E HN . 52308 1 242 . 1 . 1 59 59 GLU C C 13 175.043 . . . . . . . . 59 E C . 52308 1 243 . 1 . 1 59 59 GLU CA C 13 56.176 . . . . . . . . 59 E CA . 52308 1 244 . 1 . 1 59 59 GLU CB C 13 26.747 . . . . . . . . 59 E CB . 52308 1 245 . 1 . 1 59 59 GLU N N 15 114.240 . . . . . . . . 59 E N . 52308 1 246 . 1 . 1 60 60 SER H H 1 7.225 . . . . . . . . 60 S HN . 52308 1 247 . 1 . 1 60 60 SER C C 13 173.495 . . . . . . . . 60 S C . 52308 1 248 . 1 . 1 60 60 SER CA C 13 56.996 . . . . . . . . 60 S CA . 52308 1 249 . 1 . 1 60 60 SER CB C 13 60.870 . . . . . . . . 60 S CB . 52308 1 250 . 1 . 1 60 60 SER N N 15 110.273 . . . . . . . . 60 S N . 52308 1 251 . 1 . 1 61 61 LYS H H 1 7.829 . . . . . . . . 61 K HN . 52308 1 252 . 1 . 1 61 61 LYS C C 13 172.744 . . . . . . . . 61 K C . 52308 1 253 . 1 . 1 61 61 LYS CA C 13 52.269 . . . . . . . . 61 K CA . 52308 1 254 . 1 . 1 61 61 LYS CB C 13 27.376 . . . . . . . . 61 K CB . 52308 1 255 . 1 . 1 61 61 LYS N N 15 117.814 . . . . . . . . 61 K N . 52308 1 256 . 1 . 1 62 62 HIS H H 1 8.657 . . . . . . . . 62 H HN . 52308 1 257 . 1 . 1 62 62 HIS CB C 13 32.263 . . . . . . . . 62 H CB . 52308 1 258 . 1 . 1 62 62 HIS N N 15 123.002 . . . . . . . . 62 H N . 52308 1 259 . 1 . 1 66 66 PRO C C 13 172.828 . . . . . . . . 66 P C . 52308 1 260 . 1 . 1 66 66 PRO CA C 13 59.987 . . . . . . . . 66 P CA . 52308 1 261 . 1 . 1 66 66 PRO CB C 13 28.916 . . . . . . . . 66 P CB . 52308 1 262 . 1 . 1 67 67 LEU H H 1 8.064 . . . . . . . . 67 L HN . 52308 1 263 . 1 . 1 67 67 LEU CA C 13 50.191 . . . . . . . . 67 L CA . 52308 1 264 . 1 . 1 67 67 LEU CB C 13 38.493 . . . . . . . . 67 L CB . 52308 1 265 . 1 . 1 67 67 LEU N N 15 123.762 . . . . . . . . 67 L N . 52308 1 266 . 1 . 1 69 69 PRO C C 13 175.700 . . . . . . . . 69 P C . 52308 1 267 . 1 . 1 69 69 PRO CA C 13 61.993 . . . . . . . . 69 P CA . 52308 1 268 . 1 . 1 69 69 PRO CB C 13 28.721 . . . . . . . . 69 P CB . 52308 1 269 . 1 . 1 70 70 GLU H H 1 9.415 . . . . . . . . 70 E HN . 52308 1 270 . 1 . 1 70 70 GLU C C 13 174.175 . . . . . . . . 70 E C . 52308 1 271 . 1 . 1 70 70 GLU CA C 13 55.544 . . . . . . . . 70 E CA . 52308 1 272 . 1 . 1 70 70 GLU CB C 13 25.449 . . . . . . . . 70 E CB . 52308 1 273 . 1 . 1 70 70 GLU N N 15 117.901 . . . . . . . . 70 E N . 52308 1 274 . 1 . 1 71 71 LEU H H 1 7.493 . . . . . . . . 71 L HN . 52308 1 275 . 1 . 1 71 71 LEU C C 13 173.885 . . . . . . . . 71 L C . 52308 1 276 . 1 . 1 71 71 LEU CA C 13 50.868 . . . . . . . . 71 L CA . 52308 1 277 . 1 . 1 71 71 LEU CB C 13 39.850 . . . . . . . . 71 L CB . 52308 1 278 . 1 . 1 71 71 LEU N N 15 118.983 . . . . . . . . 71 L N . 52308 1 279 . 1 . 1 72 72 ALA H H 1 7.216 . . . . . . . . 72 A HN . 52308 1 280 . 1 . 1 72 72 ALA C C 13 174.860 . . . . . . . . 72 A C . 52308 1 281 . 1 . 1 72 72 ALA CA C 13 51.130 . . . . . . . . 72 A CA . 52308 1 282 . 1 . 1 72 72 ALA CB C 13 16.051 . . . . . . . . 72 A CB . 52308 1 283 . 1 . 1 72 72 ALA N N 15 123.686 . . . . . . . . 72 A N . 52308 1 284 . 1 . 1 73 73 ASP H H 1 8.006 . . . . . . . . 73 D HN . 52308 1 285 . 1 . 1 73 73 ASP C C 13 173.049 . . . . . . . . 73 D C . 52308 1 286 . 1 . 1 73 73 ASP CA C 13 51.031 . . . . . . . . 73 D CA . 52308 1 287 . 1 . 1 73 73 ASP CB C 13 37.860 . . . . . . . . 73 D CB . 52308 1 288 . 1 . 1 73 73 ASP N N 15 116.987 . . . . . . . . 73 D N . 52308 1 289 . 1 . 1 74 74 VAL H H 1 7.223 . . . . . . . . 74 V HN . 52308 1 290 . 1 . 1 74 74 VAL C C 13 172.707 . . . . . . . . 74 V C . 52308 1 291 . 1 . 1 74 74 VAL CA C 13 59.560 . . . . . . . . 74 V CA . 52308 1 292 . 1 . 1 74 74 VAL CB C 13 29.594 . . . . . . . . 74 V CB . 52308 1 293 . 1 . 1 74 74 VAL N N 15 121.233 . . . . . . . . 74 V N . 52308 1 294 . 1 . 1 75 75 GLN H H 1 8.256 . . . . . . . . 75 Q HN . 52308 1 295 . 1 . 1 75 75 GLN C C 13 171.652 . . . . . . . . 75 Q C . 52308 1 296 . 1 . 1 75 75 GLN CA C 13 52.182 . . . . . . . . 75 Q CA . 52308 1 297 . 1 . 1 75 75 GLN CB C 13 26.385 . . . . . . . . 75 Q CB . 52308 1 298 . 1 . 1 75 75 GLN N N 15 127.038 . . . . . . . . 75 Q N . 52308 1 299 . 1 . 1 76 76 ALA H H 1 7.933 . . . . . . . . 76 A HN . 52308 1 300 . 1 . 1 76 76 ALA CA C 13 50.853 . . . . . . . . 76 A CA . 52308 1 301 . 1 . 1 76 76 ALA CB C 13 17.032 . . . . . . . . 76 A CB . 52308 1 302 . 1 . 1 76 76 ALA N N 15 132.583 . . . . . . . . 76 A N . 52308 1 stop_ save_