################################### # 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 52751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ass1 _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-15N HSQC' . . . 52751 1 2 '3D HNCO' . . . 52751 1 3 '3D HN(CO)CA' . . . 52751 1 4 '3D HNCA' . . . 52751 1 5 '3D CBCA(CO)NH' . . . 52751 1 6 '3D HNCACB' . . . 52751 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 4 $software_4 . . 52751 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 PRO C C 13 176.652 0.000 . . . . . . . -1 P C . 52751 1 2 . 1 . 1 2 2 PRO CA C 13 63.036 0.000 . . . . . . . -1 P CA . 52751 1 3 . 1 . 1 2 2 PRO CB C 13 32.393 0.000 . . . . . . . -1 P CB . 52751 1 4 . 1 . 1 3 3 HIS H H 1 8.714 0.000 . . . . . . . 0 H HN . 52751 1 5 . 1 . 1 3 3 HIS C C 13 174.849 0.000 . . . . . . . 0 H C . 52751 1 6 . 1 . 1 3 3 HIS CA C 13 55.784 0.001 . . . . . . . 0 H CA . 52751 1 7 . 1 . 1 3 3 HIS CB C 13 29.239 0.000 . . . . . . . 0 H CB . 52751 1 8 . 1 . 1 3 3 HIS N N 15 119.388 0.000 . . . . . . . 0 H N . 52751 1 9 . 1 . 1 4 4 MET H H 1 8.479 0.000 . . . . . . . 1 M HN . 52751 1 10 . 1 . 1 4 4 MET C C 13 176.299 0.000 . . . . . . . 1 M C . 52751 1 11 . 1 . 1 4 4 MET CA C 13 55.928 0.014 . . . . . . . 1 M CA . 52751 1 12 . 1 . 1 4 4 MET CB C 13 32.757 0.179 . . . . . . . 1 M CB . 52751 1 13 . 1 . 1 4 4 MET N N 15 122.350 0.000 . . . . . . . 1 M N . 52751 1 14 . 1 . 1 5 5 GLU H H 1 8.669 0.000 . . . . . . . 2 E HN . 52751 1 15 . 1 . 1 5 5 GLU C C 13 176.813 0.000 . . . . . . . 2 E C . 52751 1 16 . 1 . 1 5 5 GLU CA C 13 57.194 0.010 . . . . . . . 2 E CA . 52751 1 17 . 1 . 1 5 5 GLU CB C 13 30.000 0.013 . . . . . . . 2 E CB . 52751 1 18 . 1 . 1 5 5 GLU N N 15 121.877 0.000 . . . . . . . 2 E N . 52751 1 19 . 1 . 1 6 6 GLU H H 1 8.456 0.000 . . . . . . . 3 E HN . 52751 1 20 . 1 . 1 6 6 GLU C C 13 176.948 0.000 . . . . . . . 3 E C . 52751 1 21 . 1 . 1 6 6 GLU CA C 13 57.192 0.007 . . . . . . . 3 E CA . 52751 1 22 . 1 . 1 6 6 GLU CB C 13 30.254 0.018 . . . . . . . 3 E CB . 52751 1 23 . 1 . 1 6 6 GLU N N 15 121.637 0.000 . . . . . . . 3 E N . 52751 1 24 . 1 . 1 7 7 GLN H H 1 8.439 0.000 . . . . . . . 4 Q HN . 52751 1 25 . 1 . 1 7 7 GLN C C 13 176.624 0.000 . . . . . . . 4 Q C . 52751 1 26 . 1 . 1 7 7 GLN CA C 13 56.651 0.053 . . . . . . . 4 Q CA . 52751 1 27 . 1 . 1 7 7 GLN CB C 13 29.005 0.016 . . . . . . . 4 Q CB . 52751 1 28 . 1 . 1 7 7 GLN N N 15 120.676 0.000 . . . . . . . 4 Q N . 52751 1 29 . 1 . 1 8 8 ARG H H 1 8.319 0.000 . . . . . . . 5 R HN . 52751 1 30 . 1 . 1 8 8 ARG HE H 1 7.334 0.000 . . . . . . . 5 R HE . 52751 1 31 . 1 . 1 8 8 ARG C C 13 177.066 0.000 . . . . . . . 5 R C . 52751 1 32 . 1 . 1 8 8 ARG CA C 13 57.679 0.006 . . . . . . . 5 R CA . 52751 1 33 . 1 . 1 8 8 ARG CB C 13 30.492 0.137 . . . . . . . 5 R CB . 52751 1 34 . 1 . 1 8 8 ARG N N 15 121.495 0.000 . . . . . . . 5 R N . 52751 1 35 . 1 . 1 8 8 ARG NE N 15 84.314 0.000 . . . . . . . 5 R NE . 52751 1 36 . 1 . 1 9 9 GLU H H 1 8.401 0.000 . . . . . . . 6 E HN . 52751 1 37 . 1 . 1 9 9 GLU C C 13 177.560 0.000 . . . . . . . 6 E C . 52751 1 38 . 1 . 1 9 9 GLU CA C 13 57.889 0.012 . . . . . . . 6 E CA . 52751 1 39 . 1 . 1 9 9 GLU CB C 13 29.831 0.085 . . . . . . . 6 E CB . 52751 1 40 . 1 . 1 9 9 GLU N N 15 120.368 0.000 . . . . . . . 6 E N . 52751 1 41 . 1 . 1 10 10 ILE H H 1 7.985 0.000 . . . . . . . 7 I HN . 52751 1 42 . 1 . 1 10 10 ILE C C 13 177.352 0.000 . . . . . . . 7 I C . 52751 1 43 . 1 . 1 10 10 ILE CA C 13 62.587 0.000 . . . . . . . 7 I CA . 52751 1 44 . 1 . 1 10 10 ILE CB C 13 38.302 0.106 . . . . . . . 7 I CB . 52751 1 45 . 1 . 1 10 10 ILE N N 15 121.270 0.000 . . . . . . . 7 I N . 52751 1 46 . 1 . 1 11 11 LEU H H 1 8.094 0.000 . . . . . . . 8 L HN . 52751 1 47 . 1 . 1 11 11 LEU C C 13 178.711 0.000 . . . . . . . 8 L C . 52751 1 48 . 1 . 1 11 11 LEU CA C 13 56.689 0.006 . . . . . . . 8 L CA . 52751 1 49 . 1 . 1 11 11 LEU CB C 13 41.819 0.069 . . . . . . . 8 L CB . 52751 1 50 . 1 . 1 11 11 LEU N N 15 123.167 0.000 . . . . . . . 8 L N . 52751 1 51 . 1 . 1 12 12 GLU H H 1 8.279 0.000 . . . . . . . 9 E HN . 52751 1 52 . 1 . 1 12 12 GLU C C 13 177.904 0.000 . . . . . . . 9 E C . 52751 1 53 . 1 . 1 12 12 GLU CA C 13 58.099 0.006 . . . . . . . 9 E CA . 52751 1 54 . 1 . 1 12 12 GLU CB C 13 29.724 0.000 . . . . . . . 9 E CB . 52751 1 55 . 1 . 1 12 12 GLU N N 15 120.075 0.000 . . . . . . . 9 E N . 52751 1 56 . 1 . 1 13 13 GLN H H 1 8.154 0.000 . . . . . . . 10 Q HN . 52751 1 57 . 1 . 1 13 13 GLN C C 13 178.229 0.000 . . . . . . . 10 Q C . 52751 1 58 . 1 . 1 13 13 GLN CA C 13 57.327 0.013 . . . . . . . 10 Q CA . 52751 1 59 . 1 . 1 13 13 GLN CB C 13 28.709 0.043 . . . . . . . 10 Q CB . 52751 1 60 . 1 . 1 13 13 GLN N N 15 119.541 0.000 . . . . . . . 10 Q N . 52751 1 61 . 1 . 1 14 14 LEU H H 1 8.094 0.000 . . . . . . . 11 L HN . 52751 1 62 . 1 . 1 14 14 LEU CA C 13 56.469 0.015 . . . . . . . 11 L CA . 52751 1 63 . 1 . 1 14 14 LEU CB C 13 42.041 0.138 . . . . . . . 11 L CB . 52751 1 64 . 1 . 1 14 14 LEU N N 15 121.560 0.000 . . . . . . . 11 L N . 52751 1 65 . 1 . 1 15 15 LYS H H 1 8.029 0.000 . . . . . . . 12 K HN . 52751 1 66 . 1 . 1 15 15 LYS C C 13 177.559 0.000 . . . . . . . 12 K C . 52751 1 67 . 1 . 1 15 15 LYS CA C 13 57.839 0.015 . . . . . . . 12 K CA . 52751 1 68 . 1 . 1 15 15 LYS CB C 13 32.516 0.000 . . . . . . . 12 K CB . 52751 1 69 . 1 . 1 15 15 LYS N N 15 119.985 0.000 . . . . . . . 12 K N . 52751 1 70 . 1 . 1 16 16 LYS H H 1 8.012 0.000 . . . . . . . 13 K HN . 52751 1 71 . 1 . 1 16 16 LYS C C 13 177.522 0.000 . . . . . . . 13 K C . 52751 1 72 . 1 . 1 16 16 LYS CA C 13 57.481 0.042 . . . . . . . 13 K CA . 52751 1 73 . 1 . 1 16 16 LYS CB C 13 32.812 0.045 . . . . . . . 13 K CB . 52751 1 74 . 1 . 1 16 16 LYS N N 15 120.237 0.000 . . . . . . . 13 K N . 52751 1 75 . 1 . 1 17 17 THR H H 1 8.057 0.000 . . . . . . . 14 T HN . 52751 1 76 . 1 . 1 17 17 THR C C 13 175.117 0.000 . . . . . . . 14 T C . 52751 1 77 . 1 . 1 17 17 THR CA C 13 63.232 0.007 . . . . . . . 14 T CA . 52751 1 78 . 1 . 1 17 17 THR CB C 13 69.535 0.122 . . . . . . . 14 T CB . 52751 1 79 . 1 . 1 17 17 THR N N 15 114.622 0.000 . . . . . . . 14 T N . 52751 1 80 . 1 . 1 18 18 LEU H H 1 8.145 0.000 . . . . . . . 15 L HN . 52751 1 81 . 1 . 1 18 18 LEU C C 13 177.822 0.000 . . . . . . . 15 L C . 52751 1 82 . 1 . 1 18 18 LEU CA C 13 55.992 0.007 . . . . . . . 15 L CA . 52751 1 83 . 1 . 1 18 18 LEU CB C 13 42.005 0.110 . . . . . . . 15 L CB . 52751 1 84 . 1 . 1 18 18 LEU N N 15 122.983 0.000 . . . . . . . 15 L N . 52751 1 85 . 1 . 1 19 19 GLN H H 1 8.172 0.000 . . . . . . . 16 Q HN . 52751 1 86 . 1 . 1 19 19 GLN C C 13 176.215 0.000 . . . . . . . 16 Q C . 52751 1 87 . 1 . 1 19 19 GLN CA C 13 56.490 0.015 . . . . . . . 16 Q CA . 52751 1 88 . 1 . 1 19 19 GLN CB C 13 29.116 0.123 . . . . . . . 16 Q CB . 52751 1 89 . 1 . 1 19 19 GLN N N 15 119.864 0.000 . . . . . . . 16 Q N . 52751 1 90 . 1 . 1 20 20 MET H H 1 8.167 0.000 . . . . . . . 17 M HN . 52751 1 91 . 1 . 1 20 20 MET C C 13 176.178 0.000 . . . . . . . 17 M C . 52751 1 92 . 1 . 1 20 20 MET CA C 13 55.787 0.006 . . . . . . . 17 M CA . 52751 1 93 . 1 . 1 20 20 MET CB C 13 29.207 0.046 . . . . . . . 17 M CB . 52751 1 94 . 1 . 1 20 20 MET N N 15 120.243 0.000 . . . . . . . 17 M N . 52751 1 95 . 1 . 1 21 21 LEU H H 1 8.129 0.000 . . . . . . . 18 L HN . 52751 1 96 . 1 . 1 21 21 LEU C C 13 177.396 0.000 . . . . . . . 18 L C . 52751 1 97 . 1 . 1 21 21 LEU CA C 13 55.329 0.009 . . . . . . . 18 L CA . 52751 1 98 . 1 . 1 21 21 LEU CB C 13 42.479 0.064 . . . . . . . 18 L CB . 52751 1 99 . 1 . 1 21 21 LEU N N 15 122.305 0.000 . . . . . . . 18 L N . 52751 1 100 . 1 . 1 22 22 THR H H 1 8.080 0.000 . . . . . . . 19 T HN . 52751 1 101 . 1 . 1 22 22 THR C C 13 174.154 0.000 . . . . . . . 19 T C . 52751 1 102 . 1 . 1 22 22 THR CA C 13 61.884 0.006 . . . . . . . 19 T CA . 52751 1 103 . 1 . 1 22 22 THR CB C 13 69.849 0.117 . . . . . . . 19 T CB . 52751 1 104 . 1 . 1 22 22 THR N N 15 115.029 0.000 . . . . . . . 19 T N . 52751 1 105 . 1 . 1 23 23 VAL H H 1 8.081 0.000 . . . . . . . 20 V HN . 52751 1 106 . 1 . 1 23 23 VAL C C 13 175.654 0.000 . . . . . . . 20 V C . 52751 1 107 . 1 . 1 23 23 VAL CA C 13 61.880 0.005 . . . . . . . 20 V CA . 52751 1 108 . 1 . 1 23 23 VAL CB C 13 32.955 0.069 . . . . . . . 20 V CB . 52751 1 109 . 1 . 1 23 23 VAL N N 15 122.354 0.000 . . . . . . . 20 V N . 52751 1 110 . 1 . 1 24 24 GLU H H 1 8.496 0.000 . . . . . . . 21 E HN . 52751 1 111 . 1 . 1 24 24 GLU CA C 13 54.334 0.000 . . . . . . . 21 E CA . 52751 1 112 . 1 . 1 24 24 GLU CB C 13 29.892 0.000 . . . . . . . 21 E CB . 52751 1 113 . 1 . 1 24 24 GLU N N 15 126.331 0.000 . . . . . . . 21 E N . 52751 1 114 . 1 . 1 25 25 PRO C C 13 177.082 0.000 . . . . . . . 22 P C . 52751 1 115 . 1 . 1 25 25 PRO CA C 13 63.401 0.000 . . . . . . . 22 P CA . 52751 1 116 . 1 . 1 25 25 PRO CB C 13 32.117 0.000 . . . . . . . 22 P CB . 52751 1 117 . 1 . 1 26 26 SER H H 1 8.415 0.000 . . . . . . . 23 S HN . 52751 1 118 . 1 . 1 26 26 SER C C 13 174.912 0.000 . . . . . . . 23 S C . 52751 1 119 . 1 . 1 26 26 SER CA C 13 58.569 0.009 . . . . . . . 23 S CA . 52751 1 120 . 1 . 1 26 26 SER CB C 13 63.725 0.038 . . . . . . . 23 S CB . 52751 1 121 . 1 . 1 26 26 SER N N 15 115.564 0.000 . . . . . . . 23 S N . 52751 1 122 . 1 . 1 27 27 LYS H H 1 8.365 0.000 . . . . . . . 24 K HN . 52751 1 123 . 1 . 1 27 27 LYS C C 13 176.369 0.000 . . . . . . . 24 K C . 52751 1 124 . 1 . 1 27 27 LYS CA C 13 56.443 0.011 . . . . . . . 24 K CA . 52751 1 125 . 1 . 1 27 27 LYS CB C 13 32.939 0.130 . . . . . . . 24 K CB . 52751 1 126 . 1 . 1 27 27 LYS N N 15 122.924 0.000 . . . . . . . 24 K N . 52751 1 127 . 1 . 1 28 28 ASN H H 1 8.353 0.000 . . . . . . . 25 N HN . 52751 1 128 . 1 . 1 28 28 ASN C C 13 175.025 0.000 . . . . . . . 25 N C . 52751 1 129 . 1 . 1 28 28 ASN CA C 13 53.413 0.011 . . . . . . . 25 N CA . 52751 1 130 . 1 . 1 28 28 ASN CB C 13 38.751 0.000 . . . . . . . 25 N CB . 52751 1 131 . 1 . 1 28 28 ASN N N 15 118.969 0.000 . . . . . . . 25 N N . 52751 1 132 . 1 . 1 29 29 ASN H H 1 8.385 0.000 . . . . . . . 26 N HN . 52751 1 133 . 1 . 1 29 29 ASN C C 13 175.094 0.000 . . . . . . . 26 N C . 52751 1 134 . 1 . 1 29 29 ASN CA C 13 53.433 0.029 . . . . . . . 26 N CA . 52751 1 135 . 1 . 1 29 29 ASN CB C 13 38.754 0.009 . . . . . . . 26 N CB . 52751 1 136 . 1 . 1 29 29 ASN N N 15 119.156 0.000 . . . . . . . 26 N N . 52751 1 137 . 1 . 1 30 30 GLN H H 1 8.284 0.000 . . . . . . . 27 Q HN . 52751 1 138 . 1 . 1 30 30 GLN C C 13 175.992 0.000 . . . . . . . 27 Q C . 52751 1 139 . 1 . 1 30 30 GLN CA C 13 56.217 0.001 . . . . . . . 27 Q CA . 52751 1 140 . 1 . 1 30 30 GLN CB C 13 29.338 0.041 . . . . . . . 27 Q CB . 52751 1 141 . 1 . 1 30 30 GLN N N 15 120.127 0.000 . . . . . . . 27 Q N . 52751 1 142 . 1 . 1 31 31 ILE H H 1 8.108 0.000 . . . . . . . 28 I HN . 52751 1 143 . 1 . 1 31 31 ILE C C 13 176.047 0.000 . . . . . . . 28 I C . 52751 1 144 . 1 . 1 31 31 ILE CA C 13 61.353 0.007 . . . . . . . 28 I CA . 52751 1 145 . 1 . 1 31 31 ILE CB C 13 38.587 0.045 . . . . . . . 28 I CB . 52751 1 146 . 1 . 1 31 31 ILE N N 15 121.675 0.000 . . . . . . . 28 I N . 52751 1 147 . 1 . 1 32 32 ALA H H 1 8.367 0.000 . . . . . . . 29 A HN . 52751 1 148 . 1 . 1 32 32 ALA C C 13 177.599 0.000 . . . . . . . 29 A C . 52751 1 149 . 1 . 1 32 32 ALA CA C 13 52.692 0.000 . . . . . . . 29 A CA . 52751 1 150 . 1 . 1 32 32 ALA CB C 13 19.142 0.051 . . . . . . . 29 A CB . 52751 1 151 . 1 . 1 32 32 ALA N N 15 127.560 0.000 . . . . . . . 29 A N . 52751 1 152 . 1 . 1 33 33 ASN H H 1 8.398 0.000 . . . . . . . 30 N HN . 52751 1 153 . 1 . 1 33 33 ASN C C 13 175.476 0.000 . . . . . . . 30 N C . 52751 1 154 . 1 . 1 33 33 ASN CA C 13 53.678 0.007 . . . . . . . 30 N CA . 52751 1 155 . 1 . 1 33 33 ASN CB C 13 38.935 0.006 . . . . . . . 30 N CB . 52751 1 156 . 1 . 1 33 33 ASN N N 15 118.275 0.000 . . . . . . . 30 N N . 52751 1 157 . 1 . 1 34 34 GLU H H 1 8.450 0.000 . . . . . . . 31 E HN . 52751 1 158 . 1 . 1 34 34 GLU C C 13 176.749 0.000 . . . . . . . 31 E C . 52751 1 159 . 1 . 1 34 34 GLU CA C 13 57.183 0.014 . . . . . . . 31 E CA . 52751 1 160 . 1 . 1 34 34 GLU CB C 13 30.057 0.000 . . . . . . . 31 E CB . 52751 1 161 . 1 . 1 34 34 GLU N N 15 121.100 0.000 . . . . . . . 31 E N . 52751 1 162 . 1 . 1 35 35 GLU H H 1 8.371 0.000 . . . . . . . 32 E HN . 52751 1 163 . 1 . 1 35 35 GLU C C 13 176.830 0.000 . . . . . . . 32 E C . 52751 1 164 . 1 . 1 35 35 GLU CA C 13 56.968 0.020 . . . . . . . 32 E CA . 52751 1 165 . 1 . 1 35 35 GLU CB C 13 30.021 0.045 . . . . . . . 32 E CB . 52751 1 166 . 1 . 1 35 35 GLU N N 15 121.468 0.000 . . . . . . . 32 E N . 52751 1 167 . 1 . 1 36 36 LYS H H 1 8.195 0.000 . . . . . . . 33 K HN . 52751 1 168 . 1 . 1 36 36 LYS C C 13 176.852 0.000 . . . . . . . 33 K C . 52751 1 169 . 1 . 1 36 36 LYS CA C 13 56.908 0.002 . . . . . . . 33 K CA . 52751 1 170 . 1 . 1 36 36 LYS CB C 13 33.105 0.014 . . . . . . . 33 K CB . 52751 1 171 . 1 . 1 36 36 LYS N N 15 121.715 0.000 . . . . . . . 33 K N . 52751 1 172 . 1 . 1 37 37 GLU H H 1 8.331 0.000 . . . . . . . 34 E HN . 52751 1 173 . 1 . 1 37 37 GLU C C 13 176.520 0.000 . . . . . . . 34 E C . 52751 1 174 . 1 . 1 37 37 GLU CA C 13 56.925 0.001 . . . . . . . 34 E CA . 52751 1 175 . 1 . 1 37 37 GLU CB C 13 30.128 0.069 . . . . . . . 34 E CB . 52751 1 176 . 1 . 1 37 37 GLU N N 15 120.804 0.000 . . . . . . . 34 E N . 52751 1 177 . 1 . 1 38 38 LYS H H 1 8.242 0.000 . . . . . . . 35 K HN . 52751 1 178 . 1 . 1 38 38 LYS C C 13 176.659 0.000 . . . . . . . 35 K C . 52751 1 179 . 1 . 1 38 38 LYS CA C 13 56.599 0.007 . . . . . . . 35 K CA . 52751 1 180 . 1 . 1 38 38 LYS CB C 13 32.909 0.068 . . . . . . . 35 K CB . 52751 1 181 . 1 . 1 38 38 LYS N N 15 122.328 0.000 . . . . . . . 35 K N . 52751 1 182 . 1 . 1 39 39 LYS H H 1 8.343 0.000 . . . . . . . 36 K HN . 52751 1 183 . 1 . 1 39 39 LYS C C 13 176.862 0.000 . . . . . . . 36 K C . 52751 1 184 . 1 . 1 39 39 LYS CA C 13 56.355 0.020 . . . . . . . 36 K CA . 52751 1 185 . 1 . 1 39 39 LYS CB C 13 32.892 0.000 . . . . . . . 36 K CB . 52751 1 186 . 1 . 1 39 39 LYS N N 15 122.776 0.000 . . . . . . . 36 K N . 52751 1 187 . 1 . 1 40 40 GLU H H 1 8.492 0.000 . . . . . . . 37 E HN . 52751 1 188 . 1 . 1 40 40 GLU C C 13 176.378 0.000 . . . . . . . 37 E C . 52751 1 189 . 1 . 1 40 40 GLU CA C 13 56.948 0.002 . . . . . . . 37 E CA . 52751 1 190 . 1 . 1 40 40 GLU CB C 13 30.182 0.050 . . . . . . . 37 E CB . 52751 1 191 . 1 . 1 40 40 GLU N N 15 121.406 0.000 . . . . . . . 37 E N . 52751 1 192 . 1 . 1 41 41 ASN H H 1 8.407 0.000 . . . . . . . 38 N HN . 52751 1 193 . 1 . 1 41 41 ASN C C 13 175.349 0.000 . . . . . . . 38 N C . 52751 1 194 . 1 . 1 41 41 ASN CA C 13 53.420 0.010 . . . . . . . 38 N CA . 52751 1 195 . 1 . 1 41 41 ASN CB C 13 38.934 0.045 . . . . . . . 38 N CB . 52751 1 196 . 1 . 1 41 41 ASN N N 15 118.553 0.000 . . . . . . . 38 N N . 52751 1 197 . 1 . 1 42 42 GLU H H 1 8.352 0.000 . . . . . . . 39 E HN . 52751 1 198 . 1 . 1 42 42 GLU C C 13 176.324 0.000 . . . . . . . 39 E C . 52751 1 199 . 1 . 1 42 42 GLU CA C 13 57.073 0.014 . . . . . . . 39 E CA . 52751 1 200 . 1 . 1 42 42 GLU CB C 13 29.826 0.000 . . . . . . . 39 E CB . 52751 1 201 . 1 . 1 42 42 GLU N N 15 121.012 0.000 . . . . . . . 39 E N . 52751 1 202 . 1 . 1 43 43 ASN H H 1 8.388 0.000 . . . . . . . 40 N HN . 52751 1 203 . 1 . 1 43 43 ASN C C 13 175.394 0.000 . . . . . . . 40 N C . 52751 1 204 . 1 . 1 43 43 ASN CA C 13 53.487 0.088 . . . . . . . 40 N CA . 52751 1 205 . 1 . 1 43 43 ASN CB C 13 38.867 0.030 . . . . . . . 40 N CB . 52751 1 206 . 1 . 1 43 43 ASN N N 15 118.688 0.000 . . . . . . . 40 N N . 52751 1 207 . 1 . 1 44 44 SER H H 1 8.144 0.000 . . . . . . . 41 S HN . 52751 1 208 . 1 . 1 44 44 SER C C 13 174.337 0.000 . . . . . . . 41 S C . 52751 1 209 . 1 . 1 44 44 SER CA C 13 58.830 0.010 . . . . . . . 41 S CA . 52751 1 210 . 1 . 1 44 44 SER CB C 13 63.499 0.015 . . . . . . . 41 S CB . 52751 1 211 . 1 . 1 44 44 SER N N 15 115.660 0.000 . . . . . . . 41 S N . 52751 1 212 . 1 . 1 45 45 TRP H H 1 7.907 0.000 . . . . . . . 42 W HN . 52751 1 213 . 1 . 1 45 45 TRP HE1 H 1 10.181 0.000 . . . . . . . 42 W HE1 . 52751 1 214 . 1 . 1 45 45 TRP C C 13 175.860 0.000 . . . . . . . 42 W C . 52751 1 215 . 1 . 1 45 45 TRP CA C 13 57.168 0.010 . . . . . . . 42 W CA . 52751 1 216 . 1 . 1 45 45 TRP CB C 13 29.323 0.003 . . . . . . . 42 W CB . 52751 1 217 . 1 . 1 45 45 TRP N N 15 121.412 0.000 . . . . . . . 42 W N . 52751 1 218 . 1 . 1 45 45 TRP NE1 N 15 129.534 0.000 . . . . . . . 42 W NE1 . 52751 1 219 . 1 . 1 46 46 CYS H H 1 8.007 0.000 . . . . . . . 43 C HN . 52751 1 220 . 1 . 1 46 46 CYS C C 13 173.847 0.000 . . . . . . . 43 C C . 52751 1 221 . 1 . 1 46 46 CYS CA C 13 55.681 0.035 . . . . . . . 43 C CA . 52751 1 222 . 1 . 1 46 46 CYS CB C 13 40.394 0.078 . . . . . . . 43 C CB . 52751 1 223 . 1 . 1 46 46 CYS N N 15 119.410 0.000 . . . . . . . 43 C N . 52751 1 224 . 1 . 1 47 47 ILE H H 1 8.049 0.000 . . . . . . . 44 I HN . 52751 1 225 . 1 . 1 47 47 ILE C C 13 174.923 0.000 . . . . . . . 44 I C . 52751 1 226 . 1 . 1 47 47 ILE CA C 13 61.162 0.000 . . . . . . . 44 I CA . 52751 1 227 . 1 . 1 47 47 ILE CB C 13 38.570 0.128 . . . . . . . 44 I CB . 52751 1 228 . 1 . 1 47 47 ILE N N 15 123.300 0.000 . . . . . . . 44 I N . 52751 1 229 . 1 . 1 48 48 LEU H H 1 7.824 0.000 . . . . . . . 45 L HN . 52751 1 230 . 1 . 1 48 48 LEU CA C 13 56.699 0.000 . . . . . . . 45 L CA . 52751 1 231 . 1 . 1 48 48 LEU CB C 13 43.518 0.000 . . . . . . . 45 L CB . 52751 1 232 . 1 . 1 48 48 LEU N N 15 132.052 0.000 . . . . . . . 45 L N . 52751 1 stop_ save_