################################### # 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 53698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'HP1alpha CSD-CTE' _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' . . . 53698 1 2 '3D HNCACB' . . . 53698 1 3 '3D CBCA(CO)NH' . . . 53698 1 4 '3D HNCA' . . . 53698 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 . . 53698 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 1 1 ASP CA C 13 51.920 0.00 . 1 . . . . . 112 ASP CA . 53698 1 2 . 1 . 1 1 1 ASP CB C 13 38.496 0.00 . 1 . . . . . 112 ASP CB . 53698 1 3 . 1 . 1 2 2 ILE H H 1 7.982 0.00 . 1 . . . . . 113 ILE H . 53698 1 4 . 1 . 1 2 2 ILE CA C 13 58.355 0.00 . 1 . . . . . 113 ILE CA . 53698 1 5 . 1 . 1 2 2 ILE CB C 13 36.450 0.00 . 1 . . . . . 113 ILE CB . 53698 1 6 . 1 . 1 2 2 ILE N N 15 119.108 0.00 . 1 . . . . . 113 ILE N . 53698 1 7 . 1 . 1 3 3 ALA H H 1 8.170 0.00 . 1 . . . . . 114 ALA H . 53698 1 8 . 1 . 1 3 3 ALA CA C 13 49.141 0.00 . 1 . . . . . 114 ALA CA . 53698 1 9 . 1 . 1 3 3 ALA CB C 13 16.009 0.00 . 1 . . . . . 114 ALA CB . 53698 1 10 . 1 . 1 3 3 ALA N N 15 127.414 0.00 . 1 . . . . . 114 ALA N . 53698 1 11 . 1 . 1 4 4 ARG H H 1 8.352 0.00 . 1 . . . . . 115 ARG H . 53698 1 12 . 1 . 1 4 4 ARG CA C 13 51.887 0.00 . 1 . . . . . 115 ARG CA . 53698 1 13 . 1 . 1 4 4 ARG CB C 13 29.738 0.00 . 1 . . . . . 115 ARG CB . 53698 1 14 . 1 . 1 4 4 ARG N N 15 120.385 0.00 . 1 . . . . . 115 ARG N . 53698 1 15 . 1 . 1 5 5 GLY H H 1 8.714 0.00 . 1 . . . . . 116 GLY H . 53698 1 16 . 1 . 1 5 5 GLY CA C 13 44.992 0.00 . 1 . . . . . 116 GLY CA . 53698 1 17 . 1 . 1 5 5 GLY N N 15 108.473 0.00 . 1 . . . . . 116 GLY N . 53698 1 18 . 1 . 1 6 6 PHE H H 1 9.518 0.00 . 1 . . . . . 117 PHE H . 53698 1 19 . 1 . 1 6 6 PHE N N 15 123.241 0.00 . 1 . . . . . 117 PHE N . 53698 1 20 . 1 . 1 7 7 GLU H H 1 8.337 0.00 . 1 . . . . . 118 GLU H . 53698 1 21 . 1 . 1 7 7 GLU CA C 13 55.304 0.00 . 1 . . . . . 118 GLU CA . 53698 1 22 . 1 . 1 7 7 GLU CB C 13 26.443 0.00 . 1 . . . . . 118 GLU CB . 53698 1 23 . 1 . 1 7 7 GLU N N 15 118.961 0.00 . 1 . . . . . 118 GLU N . 53698 1 24 . 1 . 1 8 8 ARG H H 1 7.226 0.00 . 1 . . . . . 119 ARG H . 53698 1 25 . 1 . 1 8 8 ARG CA C 13 54.999 0.00 . 1 . . . . . 119 ARG CA . 53698 1 26 . 1 . 1 8 8 ARG CB C 13 27.663 0.00 . 1 . . . . . 119 ARG CB . 53698 1 27 . 1 . 1 8 8 ARG N N 15 115.907 0.00 . 1 . . . . . 119 ARG N . 53698 1 28 . 1 . 1 9 9 GLY H H 1 7.443 0.00 . 1 . . . . . 120 GLY H . 53698 1 29 . 1 . 1 9 9 GLY CA C 13 43.406 0.00 . 1 . . . . . 120 GLY CA . 53698 1 30 . 1 . 1 9 9 GLY N N 15 104.556 0.00 . 1 . . . . . 120 GLY N . 53698 1 31 . 1 . 1 10 10 LEU H H 1 7.594 0.00 . 1 . . . . . 121 LEU H . 53698 1 32 . 1 . 1 10 10 LEU CA C 13 50.056 0.00 . 1 . . . . . 121 LEU CA . 53698 1 33 . 1 . 1 10 10 LEU CB C 13 39.317 0.00 . 1 . . . . . 121 LEU CB . 53698 1 34 . 1 . 1 10 10 LEU N N 15 119.972 0.00 . 1 . . . . . 121 LEU N . 53698 1 35 . 1 . 1 11 11 GLU H H 1 9.045 0.00 . 1 . . . . . 122 GLU H . 53698 1 36 . 1 . 1 11 11 GLU N N 15 122.413 0.00 . 1 . . . . . 122 GLU N . 53698 1 37 . 1 . 1 12 12 PRO CA C 13 61.528 0.00 . 1 . . . . . 123 PRO CA . 53698 1 38 . 1 . 1 12 12 PRO CB C 13 30.653 0.00 . 1 . . . . . 123 PRO CB . 53698 1 39 . 1 . 1 13 13 GLU H H 1 8.800 0.00 . 1 . . . . . 124 GLU H . 53698 1 40 . 1 . 1 13 13 GLU CA C 13 54.694 0.00 . 1 . . . . . 124 GLU CA . 53698 1 41 . 1 . 1 13 13 GLU CB C 13 30.409 0.00 . 1 . . . . . 124 GLU CB . 53698 1 42 . 1 . 1 13 13 GLU N N 15 121.506 0.00 . 1 . . . . . 124 GLU N . 53698 1 43 . 1 . 1 14 14 LYS H H 1 7.598 0.00 . 1 . . . . . 125 LYS H . 53698 1 44 . 1 . 1 14 14 LYS CA C 13 51.643 0.00 . 1 . . . . . 125 LYS CA . 53698 1 45 . 1 . 1 14 14 LYS CB C 13 38.402 0.00 . 1 . . . . . 125 LYS CB . 53698 1 46 . 1 . 1 14 14 LYS N N 15 114.366 0.00 . 1 . . . . . 125 LYS N . 53698 1 47 . 1 . 1 15 15 ILE H H 1 8.188 0.00 . 1 . . . . . 126 ILE H . 53698 1 48 . 1 . 1 15 15 ILE N N 15 124.334 0.00 . 1 . . . . . 126 ILE N . 53698 1 49 . 1 . 1 16 16 ILE H H 1 8.704 0.00 . 1 . . . . . 127 ILE H . 53698 1 50 . 1 . 1 16 16 ILE CA C 13 58.111 0.00 . 1 . . . . . 127 ILE CA . 53698 1 51 . 1 . 1 16 16 ILE CB C 13 35.717 0.00 . 1 . . . . . 127 ILE CB . 53698 1 52 . 1 . 1 16 16 ILE N N 15 120.203 0.00 . 1 . . . . . 127 ILE N . 53698 1 53 . 1 . 1 17 17 GLY H H 1 7.185 0.00 . 1 . . . . . 128 GLY H . 53698 1 54 . 1 . 1 17 17 GLY CA C 13 42.490 0.00 . 1 . . . . . 128 GLY CA . 53698 1 55 . 1 . 1 17 17 GLY N N 15 108.214 0.00 . 1 . . . . . 128 GLY N . 53698 1 56 . 1 . 1 18 18 ALA H H 1 8.594 0.00 . 1 . . . . . 129 ALA H . 53698 1 57 . 1 . 1 18 18 ALA CA C 13 48.531 0.00 . 1 . . . . . 129 ALA CA . 53698 1 58 . 1 . 1 18 18 ALA CB C 13 20.219 0.00 . 1 . . . . . 129 ALA CB . 53698 1 59 . 1 . 1 18 18 ALA N N 15 122.387 0.00 . 1 . . . . . 129 ALA N . 53698 1 60 . 1 . 1 19 19 THR H H 1 8.788 0.00 . 1 . . . . . 130 THR H . 53698 1 61 . 1 . 1 19 19 THR CA C 13 57.379 0.00 . 1 . . . . . 130 THR CA . 53698 1 62 . 1 . 1 19 19 THR CB C 13 67.263 0.00 . 1 . . . . . 130 THR CB . 53698 1 63 . 1 . 1 19 19 THR N N 15 114.677 0.00 . 1 . . . . . 130 THR N . 53698 1 64 . 1 . 1 20 20 ASP H H 1 8.226 0.00 . 1 . . . . . 131 ASP H . 53698 1 65 . 1 . 1 20 20 ASP CA C 13 50.423 0.00 . 1 . . . . . 131 ASP CA . 53698 1 66 . 1 . 1 20 20 ASP CB C 13 39.378 0.00 . 1 . . . . . 131 ASP CB . 53698 1 67 . 1 . 1 20 20 ASP N N 15 125.425 0.00 . 1 . . . . . 131 ASP N . 53698 1 68 . 1 . 1 21 21 SER H H 1 8.469 0.00 . 1 . . . . . 132 SER H . 53698 1 69 . 1 . 1 21 21 SER CA C 13 56.219 0.00 . 1 . . . . . 132 SER CA . 53698 1 70 . 1 . 1 21 21 SER CB C 13 60.490 0.00 . 1 . . . . . 132 SER CB . 53698 1 71 . 1 . 1 21 21 SER N N 15 118.053 0.00 . 1 . . . . . 132 SER N . 53698 1 72 . 1 . 1 22 22 CYS H H 1 8.997 0.00 . 1 . . . . . 133 CYS H . 53698 1 73 . 1 . 1 22 22 CYS CA C 13 56.158 0.00 . 1 . . . . . 133 CYS CA . 53698 1 74 . 1 . 1 22 22 CYS CB C 13 24.185 0.00 . 1 . . . . . 133 CYS CB . 53698 1 75 . 1 . 1 22 22 CYS N N 15 120.930 0.00 . 1 . . . . . 133 CYS N . 53698 1 76 . 1 . 1 23 23 GLY H H 1 8.418 0.00 . 1 . . . . . 134 GLY H . 53698 1 77 . 1 . 1 23 23 GLY CA C 13 42.673 0.00 . 1 . . . . . 134 GLY CA . 53698 1 78 . 1 . 1 23 23 GLY N N 15 109.160 0.00 . 1 . . . . . 134 GLY N . 53698 1 79 . 1 . 1 24 24 ASP H H 1 7.665 0.00 . 1 . . . . . 135 ASP H . 53698 1 80 . 1 . 1 24 24 ASP CA C 13 55.853 0.00 . 1 . . . . . 135 ASP CA . 53698 1 81 . 1 . 1 24 24 ASP CB C 13 40.355 0.00 . 1 . . . . . 135 ASP CB . 53698 1 82 . 1 . 1 24 24 ASP N N 15 120.576 0.00 . 1 . . . . . 135 ASP N . 53698 1 83 . 1 . 1 25 25 LEU H H 1 8.315 0.00 . 1 . . . . . 136 LEU H . 53698 1 84 . 1 . 1 25 25 LEU N N 15 123.632 0.00 . 1 . . . . . 136 LEU N . 53698 1 85 . 1 . 1 26 26 MET H H 1 8.870 0.00 . 1 . . . . . 137 MET H . 53698 1 86 . 1 . 1 26 26 MET CA C 13 51.094 0.00 . 1 . . . . . 137 MET CA . 53698 1 87 . 1 . 1 26 26 MET CB C 13 33.826 0.00 . 1 . . . . . 137 MET CB . 53698 1 88 . 1 . 1 26 26 MET N N 15 125.910 0.00 . 1 . . . . . 137 MET N . 53698 1 89 . 1 . 1 27 27 PHE H H 1 8.956 0.00 . 1 . . . . . 138 PHE H . 53698 1 90 . 1 . 1 27 27 PHE CA C 13 51.704 0.00 . 1 . . . . . 138 PHE CA . 53698 1 91 . 1 . 1 27 27 PHE CB C 13 38.341 0.00 . 1 . . . . . 138 PHE CB . 53698 1 92 . 1 . 1 27 27 PHE N N 15 116.866 0.00 . 1 . . . . . 138 PHE N . 53698 1 93 . 1 . 1 28 28 LEU H H 1 8.283 0.00 . 1 . . . . . 139 LEU H . 53698 1 94 . 1 . 1 28 28 LEU CA C 13 51.399 0.00 . 1 . . . . . 139 LEU CA . 53698 1 95 . 1 . 1 28 28 LEU CB C 13 38.463 0.00 . 1 . . . . . 139 LEU CB . 53698 1 96 . 1 . 1 28 28 LEU N N 15 124.198 0.00 . 1 . . . . . 139 LEU N . 53698 1 97 . 1 . 1 29 29 MET H H 1 8.868 0.00 . 1 . . . . . 140 MET H . 53698 1 98 . 1 . 1 29 29 MET CA C 13 50.606 0.00 . 1 . . . . . 140 MET CA . 53698 1 99 . 1 . 1 29 29 MET CB C 13 31.019 0.00 . 1 . . . . . 140 MET CB . 53698 1 100 . 1 . 1 29 29 MET N N 15 130.405 0.00 . 1 . . . . . 140 MET N . 53698 1 101 . 1 . 1 30 30 LYS H H 1 8.493 0.00 . 1 . . . . . 141 LYS H . 53698 1 102 . 1 . 1 30 30 LYS CA C 13 52.009 0.00 . 1 . . . . . 141 LYS CA . 53698 1 103 . 1 . 1 30 30 LYS CB C 13 31.080 0.00 . 1 . . . . . 141 LYS CB . 53698 1 104 . 1 . 1 30 30 LYS N N 15 126.387 0.00 . 1 . . . . . 141 LYS N . 53698 1 105 . 1 . 1 31 31 TRP H H 1 8.282 0.00 . 1 . . . . . 142 TRP H . 53698 1 106 . 1 . 1 31 31 TRP CA C 13 51.887 0.00 . 1 . . . . . 142 TRP CA . 53698 1 107 . 1 . 1 31 31 TRP CB C 13 28.517 0.00 . 1 . . . . . 142 TRP CB . 53698 1 108 . 1 . 1 31 31 TRP N N 15 130.096 0.00 . 1 . . . . . 142 TRP N . 53698 1 109 . 1 . 1 32 32 LYS H H 1 9.102 0.00 . 1 . . . . . 143 LYS H . 53698 1 110 . 1 . 1 32 32 LYS CA C 13 54.877 0.00 . 1 . . . . . 143 LYS CA . 53698 1 111 . 1 . 1 32 32 LYS CB C 13 30.409 0.00 . 1 . . . . . 143 LYS CB . 53698 1 112 . 1 . 1 32 32 LYS N N 15 122.331 0.00 . 1 . . . . . 143 LYS N . 53698 1 113 . 1 . 1 33 33 ASP H H 1 9.192 0.00 . 1 . . . . . 144 ASP H . 53698 1 114 . 1 . 1 33 33 ASP CA C 13 53.290 0.00 . 1 . . . . . 144 ASP CA . 53698 1 115 . 1 . 1 33 33 ASP CB C 13 36.511 0.00 . 1 . . . . . 144 ASP CB . 53698 1 116 . 1 . 1 33 33 ASP N N 15 118.387 0.00 . 1 . . . . . 144 ASP N . 53698 1 117 . 1 . 1 34 34 THR H H 1 7.507 0.00 . 1 . . . . . 145 THR H . 53698 1 118 . 1 . 1 34 34 THR CA C 13 57.440 0.00 . 1 . . . . . 145 THR CA . 53698 1 119 . 1 . 1 34 34 THR CB C 13 67.141 0.00 . 1 . . . . . 145 THR CB . 53698 1 120 . 1 . 1 34 34 THR N N 15 111.716 0.00 . 1 . . . . . 145 THR N . 53698 1 121 . 1 . 1 35 35 ASP H H 1 8.599 0.00 . 1 . . . . . 146 ASP H . 53698 1 122 . 1 . 1 35 35 ASP N N 15 124.856 0.00 . 1 . . . . . 146 ASP N . 53698 1 123 . 1 . 1 36 36 GLU H H 1 8.187 0.00 . 1 . . . . . 147 GLU H . 53698 1 124 . 1 . 1 36 36 GLU CA C 13 53.046 0.00 . 1 . . . . . 147 GLU CA . 53698 1 125 . 1 . 1 36 36 GLU CB C 13 27.541 0.00 . 1 . . . . . 147 GLU CB . 53698 1 126 . 1 . 1 36 36 GLU N N 15 120.595 0.00 . 1 . . . . . 147 GLU N . 53698 1 127 . 1 . 1 37 37 ALA H H 1 8.095 0.00 . 1 . . . . . 148 ALA H . 53698 1 128 . 1 . 1 37 37 ALA CA C 13 48.104 0.00 . 1 . . . . . 148 ALA CA . 53698 1 129 . 1 . 1 37 37 ALA CB C 13 18.938 0.00 . 1 . . . . . 148 ALA CB . 53698 1 130 . 1 . 1 37 37 ALA N N 15 124.681 0.00 . 1 . . . . . 148 ALA N . 53698 1 131 . 1 . 1 38 38 ASP H H 1 8.215 0.00 . 1 . . . . . 149 ASP H . 53698 1 132 . 1 . 1 38 38 ASP N N 15 117.565 0.00 . 1 . . . . . 149 ASP N . 53698 1 133 . 1 . 1 39 39 LEU H H 1 8.546 0.00 . 1 . . . . . 150 LEU H . 53698 1 134 . 1 . 1 39 39 LEU CA C 13 52.009 0.00 . 1 . . . . . 150 LEU CA . 53698 1 135 . 1 . 1 39 39 LEU CB C 13 40.294 0.00 . 1 . . . . . 150 LEU CB . 53698 1 136 . 1 . 1 39 39 LEU N N 15 120.984 0.00 . 1 . . . . . 150 LEU N . 53698 1 137 . 1 . 1 40 40 VAL H H 1 9.199 0.00 . 1 . . . . . 151 VAL H . 53698 1 138 . 1 . 1 40 40 VAL CA C 13 55.548 0.00 . 1 . . . . . 151 VAL CA . 53698 1 139 . 1 . 1 40 40 VAL CB C 13 32.667 0.00 . 1 . . . . . 151 VAL CB . 53698 1 140 . 1 . 1 40 40 VAL N N 15 114.945 0.00 . 1 . . . . . 151 VAL N . 53698 1 141 . 1 . 1 41 41 LEU H H 1 9.420 0.00 . 1 . . . . . 152 LEU H . 53698 1 142 . 1 . 1 41 41 LEU CA C 13 52.985 0.00 . 1 . . . . . 152 LEU CA . 53698 1 143 . 1 . 1 41 41 LEU CB C 13 39.745 0.00 . 1 . . . . . 152 LEU CB . 53698 1 144 . 1 . 1 41 41 LEU N N 15 124.170 0.00 . 1 . . . . . 152 LEU N . 53698 1 145 . 1 . 1 42 42 ALA H H 1 8.747 0.00 . 1 . . . . . 153 ALA H . 53698 1 146 . 1 . 1 42 42 ALA CA C 13 53.168 0.00 . 1 . . . . . 153 ALA CA . 53698 1 147 . 1 . 1 42 42 ALA CB C 13 14.971 0.00 . 1 . . . . . 153 ALA CB . 53698 1 148 . 1 . 1 42 42 ALA N N 15 129.854 0.00 . 1 . . . . . 153 ALA N . 53698 1 149 . 1 . 1 43 43 LYS H H 1 8.440 0.00 . 1 . . . . . 154 LYS H . 53698 1 150 . 1 . 1 43 43 LYS CA C 13 56.097 0.00 . 1 . . . . . 154 LYS CA . 53698 1 151 . 1 . 1 43 43 LYS CB C 13 29.616 0.00 . 1 . . . . . 154 LYS CB . 53698 1 152 . 1 . 1 43 43 LYS N N 15 112.394 0.00 . 1 . . . . . 154 LYS N . 53698 1 153 . 1 . 1 44 44 GLU H H 1 6.901 0.00 . 1 . . . . . 155 GLU H . 53698 1 154 . 1 . 1 44 44 GLU CA C 13 50.484 0.00 . 1 . . . . . 155 GLU CA . 53698 1 155 . 1 . 1 44 44 GLU CB C 13 28.151 0.00 . 1 . . . . . 155 GLU CB . 53698 1 156 . 1 . 1 44 44 GLU N N 15 116.595 0.00 . 1 . . . . . 155 GLU N . 53698 1 157 . 1 . 1 45 45 ALA H H 1 8.356 0.00 . 1 . . . . . 156 ALA H . 53698 1 158 . 1 . 1 45 45 ALA CA C 13 52.436 0.00 . 1 . . . . . 156 ALA CA . 53698 1 159 . 1 . 1 45 45 ALA CB C 13 15.216 0.00 . 1 . . . . . 156 ALA CB . 53698 1 160 . 1 . 1 45 45 ALA N N 15 123.656 0.00 . 1 . . . . . 156 ALA N . 53698 1 161 . 1 . 1 46 46 ASN H H 1 9.335 0.00 . 1 . . . . . 157 ASN H . 53698 1 162 . 1 . 1 46 46 ASN CA C 13 53.367 0.00 . 1 . . . . . 157 ASN CA . 53698 1 163 . 1 . 1 46 46 ASN CB C 13 35.789 0.00 . 1 . . . . . 157 ASN CB . 53698 1 164 . 1 . 1 46 46 ASN N N 15 114.967 0.00 . 1 . . . . . 157 ASN N . 53698 1 165 . 1 . 1 47 47 VAL H H 1 6.628 0.00 . 1 . . . . . 158 VAL H . 53698 1 166 . 1 . 1 47 47 VAL N N 15 109.999 0.00 . 1 . . . . . 158 VAL N . 53698 1 167 . 1 . 1 48 48 LYS H H 1 8.272 0.00 . 1 . . . . . 159 LYS H . 53698 1 168 . 1 . 1 48 48 LYS CA C 13 56.125 0.00 . 1 . . . . . 159 LYS CA . 53698 1 169 . 1 . 1 48 48 LYS CB C 13 31.193 0.00 . 1 . . . . . 159 LYS CB . 53698 1 170 . 1 . 1 48 48 LYS N N 15 120.588 0.00 . 1 . . . . . 159 LYS N . 53698 1 171 . 1 . 1 49 49 CYS H H 1 9.154 0.00 . 1 . . . . . 160 CYS H . 53698 1 172 . 1 . 1 49 49 CYS N N 15 113.414 0.00 . 1 . . . . . 160 CYS N . 53698 1 173 . 1 . 1 50 50 PRO CA C 13 62.674 0.00 . 1 . . . . . 161 PRO CA . 53698 1 174 . 1 . 1 50 50 PRO CB C 13 28.953 0.00 . 1 . . . . . 161 PRO CB . 53698 1 175 . 1 . 1 51 51 GLN H H 1 8.911 0.00 . 1 . . . . . 162 GLN H . 53698 1 176 . 1 . 1 51 51 GLN CA C 13 55.493 0.00 . 1 . . . . . 162 GLN CA . 53698 1 177 . 1 . 1 51 51 GLN CB C 13 24.012 0.00 . 1 . . . . . 162 GLN CB . 53698 1 178 . 1 . 1 51 51 GLN N N 15 113.003 0.00 . 1 . . . . . 162 GLN N . 53698 1 179 . 1 . 1 52 52 ILE H H 1 7.287 0.00 . 1 . . . . . 163 ILE H . 53698 1 180 . 1 . 1 52 52 ILE N N 15 122.631 0.00 . 1 . . . . . 163 ILE N . 53698 1 181 . 1 . 1 53 53 VAL H H 1 7.200 0.00 . 1 . . . . . 164 VAL H . 53698 1 182 . 1 . 1 53 53 VAL N N 15 122.662 0.00 . 1 . . . . . 164 VAL N . 53698 1 183 . 1 . 1 54 54 ILE H H 1 8.650 0.00 . 1 . . . . . 165 ILE H . 53698 1 184 . 1 . 1 54 54 ILE N N 15 118.601 0.00 . 1 . . . . . 165 ILE N . 53698 1 185 . 1 . 1 55 55 ALA H H 1 7.579 0.00 . 1 . . . . . 166 ALA H . 53698 1 186 . 1 . 1 55 55 ALA CA C 13 52.333 0.00 . 1 . . . . . 166 ALA CA . 53698 1 187 . 1 . 1 55 55 ALA CB C 13 15.338 0.00 . 1 . . . . . 166 ALA CB . 53698 1 188 . 1 . 1 55 55 ALA N N 15 119.308 0.00 . 1 . . . . . 166 ALA N . 53698 1 189 . 1 . 1 56 56 PHE H H 1 7.196 0.00 . 1 . . . . . 167 PHE H . 53698 1 190 . 1 . 1 56 56 PHE N N 15 118.490 0.00 . 1 . . . . . 167 PHE N . 53698 1 191 . 1 . 1 57 57 TYR H H 1 7.662 0.00 . 1 . . . . . 168 TYR H . 53698 1 192 . 1 . 1 57 57 TYR CA C 13 57.676 0.00 . 1 . . . . . 168 TYR CA . 53698 1 193 . 1 . 1 57 57 TYR CB C 13 34.123 0.00 . 1 . . . . . 168 TYR CB . 53698 1 194 . 1 . 1 57 57 TYR N N 15 119.568 0.00 . 1 . . . . . 168 TYR N . 53698 1 195 . 1 . 1 58 58 GLU H H 1 8.958 0.00 . 1 . . . . . 169 GLU H . 53698 1 196 . 1 . 1 58 58 GLU N N 15 118.565 0.00 . 1 . . . . . 169 GLU N . 53698 1 197 . 1 . 1 59 59 GLU H H 1 7.489 0.00 . 1 . . . . . 170 GLU H . 53698 1 198 . 1 . 1 59 59 GLU CA C 13 55.665 0.00 . 1 . . . . . 170 GLU CA . 53698 1 199 . 1 . 1 59 59 GLU CB C 13 27.114 0.00 . 1 . . . . . 170 GLU CB . 53698 1 200 . 1 . 1 59 59 GLU N N 15 118.125 0.00 . 1 . . . . . 170 GLU N . 53698 1 201 . 1 . 1 60 60 ARG H H 1 7.410 0.00 . 1 . . . . . 171 ARG H . 53698 1 202 . 1 . 1 60 60 ARG CA C 13 54.631 0.00 . 1 . . . . . 171 ARG CA . 53698 1 203 . 1 . 1 60 60 ARG CB C 13 27.402 0.00 . 1 . . . . . 171 ARG CB . 53698 1 204 . 1 . 1 60 60 ARG N N 15 116.694 0.00 . 1 . . . . . 171 ARG N . 53698 1 205 . 1 . 1 61 61 LEU H H 1 7.785 0.00 . 1 . . . . . 172 LEU H . 53698 1 206 . 1 . 1 61 61 LEU CA C 13 50.667 0.00 . 1 . . . . . 172 LEU CA . 53698 1 207 . 1 . 1 61 61 LEU CB C 13 35.846 0.00 . 1 . . . . . 172 LEU CB . 53698 1 208 . 1 . 1 61 61 LEU N N 15 120.241 0.00 . 1 . . . . . 172 LEU N . 53698 1 209 . 1 . 1 62 62 THR H H 1 7.697 0.00 . 1 . . . . . 173 THR H . 53698 1 210 . 1 . 1 62 62 THR N N 15 113.038 0.00 . 1 . . . . . 173 THR N . 53698 1 211 . 1 . 1 63 63 TRP H H 1 7.950 0.00 . 1 . . . . . 174 TRP H . 53698 1 212 . 1 . 1 63 63 TRP N N 15 121.418 0.00 . 1 . . . . . 174 TRP N . 53698 1 213 . 1 . 1 64 64 HIS H H 1 7.720 0.00 . 1 . . . . . 175 HIS H . 53698 1 214 . 1 . 1 64 64 HIS N N 15 120.468 0.00 . 1 . . . . . 175 HIS N . 53698 1 215 . 1 . 1 65 65 ALA H H 1 8.119 0.00 . 1 . . . . . 176 ALA H . 53698 1 216 . 1 . 1 65 65 ALA N N 15 125.798 0.00 . 1 . . . . . 176 ALA N . 53698 1 217 . 1 . 1 68 68 GLU H H 1 8.515 0.00 . 1 . . . . . 179 GLU H . 53698 1 218 . 1 . 1 68 68 GLU N N 15 121.212 0.00 . 1 . . . . . 179 GLU N . 53698 1 219 . 1 . 1 69 69 ASP H H 1 8.312 0.00 . 1 . . . . . 180 ASP H . 53698 1 220 . 1 . 1 69 69 ASP CA C 13 53.023 0.00 . 1 . . . . . 180 ASP CA . 53698 1 221 . 1 . 1 69 69 ASP CB C 13 32.629 0.00 . 1 . . . . . 180 ASP CB . 53698 1 222 . 1 . 1 69 69 ASP N N 15 121.517 0.00 . 1 . . . . . 180 ASP N . 53698 1 223 . 1 . 1 70 70 ALA H H 1 8.085 0.00 . 1 . . . . . 181 ALA H . 53698 1 224 . 1 . 1 70 70 ALA N N 15 124.248 0.00 . 1 . . . . . 181 ALA N . 53698 1 225 . 1 . 1 71 71 GLU H H 1 8.298 0.00 . 1 . . . . . 182 GLU H . 53698 1 226 . 1 . 1 71 71 GLU N N 15 119.178 0.00 . 1 . . . . . 182 GLU N . 53698 1 227 . 1 . 1 74 74 GLU H H 1 8.351 0.00 . 1 . . . . . 185 GLU H . 53698 1 228 . 1 . 1 74 74 GLU N N 15 121.268 0.00 . 1 . . . . . 185 GLU N . 53698 1 229 . 1 . 1 75 75 LYS H H 1 8.169 0.00 . 1 . . . . . 186 LYS H . 53698 1 230 . 1 . 1 75 75 LYS N N 15 121.569 0.00 . 1 . . . . . 186 LYS N . 53698 1 231 . 1 . 1 76 76 GLU H H 1 8.384 0.00 . 1 . . . . . 187 GLU H . 53698 1 232 . 1 . 1 76 76 GLU N N 15 121.711 0.00 . 1 . . . . . 187 GLU N . 53698 1 233 . 1 . 1 77 77 THR H H 1 8.168 0.00 . 1 . . . . . 188 THR H . 53698 1 234 . 1 . 1 77 77 THR CA C 13 58.940 0.00 . 1 . . . . . 188 THR CA . 53698 1 235 . 1 . 1 77 77 THR CB C 13 67.097 0.00 . 1 . . . . . 188 THR CB . 53698 1 236 . 1 . 1 77 77 THR N N 15 115.634 0.00 . 1 . . . . . 188 THR N . 53698 1 237 . 1 . 1 78 78 ALA H H 1 8.317 0.00 . 1 . . . . . 189 ALA H . 53698 1 238 . 1 . 1 78 78 ALA N N 15 126.884 0.00 . 1 . . . . . 189 ALA N . 53698 1 239 . 1 . 1 79 79 LYS H H 1 8.226 0.00 . 1 . . . . . 190 LYS H . 53698 1 240 . 1 . 1 79 79 LYS CA C 13 53.425 0.00 . 1 . . . . . 190 LYS CA . 53698 1 241 . 1 . 1 79 79 LYS CB C 13 30.446 0.00 . 1 . . . . . 190 LYS CB . 53698 1 242 . 1 . 1 79 79 LYS N N 15 121.950 0.00 . 1 . . . . . 190 LYS N . 53698 1 243 . 1 . 1 80 80 SER H H 1 7.967 0.00 . 1 . . . . . 191 SER H . 53698 1 244 . 1 . 1 80 80 SER N N 15 122.827 0.00 . 1 . . . . . 191 SER N . 53698 1 stop_ save_