################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 28087 1 2 '3D HNCA' . . . 28087 1 3 '3D HNCACB' . . . 28087 1 4 '3D CBCA(CO)NH' . . . 28087 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 GLN H H 1 8.561 0.020 . 1 . . . . . 2 GLN H . 28087 1 2 . 1 . 1 2 2 GLN CA C 13 56.195 0.3 . 1 . . . . . 2 GLN CA . 28087 1 3 . 1 . 1 2 2 GLN CB C 13 28.932 0.3 . 1 . . . . . 2 GLN CB . 28087 1 4 . 1 . 1 2 2 GLN N N 15 119.715 0.3 . 1 . . . . . 2 GLN N . 28087 1 5 . 1 . 1 11 11 LEU H H 1 8.147 0.020 . 1 . . . . . 11 LEU H . 28087 1 6 . 1 . 1 11 11 LEU CA C 13 55.314 0.3 . 1 . . . . . 11 LEU CA . 28087 1 7 . 1 . 1 11 11 LEU CB C 13 41.812 0.3 . 1 . . . . . 11 LEU CB . 28087 1 8 . 1 . 1 11 11 LEU N N 15 122.929 0.3 . 1 . . . . . 11 LEU N . 28087 1 9 . 1 . 1 13 13 LEU H H 1 8.167 0.020 . 1 . . . . . 13 LEU H . 28087 1 10 . 1 . 1 13 13 LEU CA C 13 55.420 0.3 . 1 . . . . . 13 LEU CA . 28087 1 11 . 1 . 1 13 13 LEU CB C 13 42.014 0.3 . 1 . . . . . 13 LEU CB . 28087 1 12 . 1 . 1 13 13 LEU N N 15 122.737 0.3 . 1 . . . . . 13 LEU N . 28087 1 13 . 1 . 1 14 14 ASN H H 1 8.519 0.020 . 1 . . . . . 14 ASN H . 28087 1 14 . 1 . 1 14 14 ASN CA C 13 53.338 0.3 . 1 . . . . . 14 ASN CA . 28087 1 15 . 1 . 1 14 14 ASN CB C 13 38.302 0.3 . 1 . . . . . 14 ASN CB . 28087 1 16 . 1 . 1 14 14 ASN N N 15 119.197 0.3 . 1 . . . . . 14 ASN N . 28087 1 17 . 1 . 1 15 15 GLN H H 1 8.332 0.020 . 1 . . . . . 15 GLN H . 28087 1 18 . 1 . 1 15 15 GLN CA C 13 55.977 0.3 . 1 . . . . . 15 GLN CA . 28087 1 19 . 1 . 1 15 15 GLN CB C 13 29.109 0.3 . 1 . . . . . 15 GLN CB . 28087 1 20 . 1 . 1 15 15 GLN N N 15 120.516 0.3 . 1 . . . . . 15 GLN N . 28087 1 21 . 1 . 1 16 16 SER H H 1 8.382 0.020 . 1 . . . . . 16 SER H . 28087 1 22 . 1 . 1 16 16 SER CA C 13 58.544 0.3 . 1 . . . . . 16 SER CA . 28087 1 23 . 1 . 1 16 16 SER CB C 13 63.566 0.3 . 1 . . . . . 16 SER CB . 28087 1 24 . 1 . 1 16 16 SER N N 15 116.691 0.3 . 1 . . . . . 16 SER N . 28087 1 25 . 1 . 1 17 17 ASN H H 1 8.431 0.020 . 1 . . . . . 17 ASN H . 28087 1 26 . 1 . 1 17 17 ASN CA C 13 53.102 0.3 . 1 . . . . . 17 ASN CA . 28087 1 27 . 1 . 1 17 17 ASN CB C 13 38.608 0.3 . 1 . . . . . 17 ASN CB . 28087 1 28 . 1 . 1 17 17 ASN N N 15 120.763 0.3 . 1 . . . . . 17 ASN N . 28087 1 29 . 1 . 1 18 18 ALA H H 1 8.239 0.020 . 1 . . . . . 18 ALA H . 28087 1 30 . 1 . 1 18 18 ALA CA C 13 53.013 0.3 . 1 . . . . . 18 ALA CA . 28087 1 31 . 1 . 1 18 18 ALA CB C 13 18.788 0.3 . 1 . . . . . 18 ALA CB . 28087 1 32 . 1 . 1 18 18 ALA N N 15 124.194 0.3 . 1 . . . . . 18 ALA N . 28087 1 33 . 1 . 1 19 19 GLY H H 1 8.340 0.020 . 1 . . . . . 19 GLY H . 28087 1 34 . 1 . 1 19 19 GLY CA C 13 45.189 0.3 . 1 . . . . . 19 GLY CA . 28087 1 35 . 1 . 1 19 19 GLY N N 15 107.906 0.3 . 1 . . . . . 19 GLY N . 28087 1 36 . 1 . 1 20 20 ALA H H 1 8.023 0.020 . 1 . . . . . 20 ALA H . 28087 1 37 . 1 . 1 20 20 ALA CA C 13 52.446 0.3 . 1 . . . . . 20 ALA CA . 28087 1 38 . 1 . 1 20 20 ALA CB C 13 19.070 0.3 . 1 . . . . . 20 ALA CB . 28087 1 39 . 1 . 1 20 20 ALA N N 15 123.191 0.3 . 1 . . . . . 20 ALA N . 28087 1 40 . 1 . 1 21 21 ASN H H 1 8.402 0.020 . 1 . . . . . 21 ASN H . 28087 1 41 . 1 . 1 21 21 ASN CA C 13 53.104 0.3 . 1 . . . . . 21 ASN CA . 28087 1 42 . 1 . 1 21 21 ASN CB C 13 38.302 0.3 . 1 . . . . . 21 ASN CB . 28087 1 43 . 1 . 1 21 21 ASN N N 15 117.768 0.3 . 1 . . . . . 21 ASN N . 28087 1 44 . 1 . 1 22 22 ILE H H 1 8.009 0.020 . 1 . . . . . 22 ILE H . 28087 1 45 . 1 . 1 22 22 ILE CA C 13 61.262 0.3 . 1 . . . . . 22 ILE CA . 28087 1 46 . 1 . 1 22 22 ILE N N 15 120.447 0.3 . 1 . . . . . 22 ILE N . 28087 1 47 . 1 . 1 23 23 ASN H H 1 8.516 0.020 . 1 . . . . . 23 ASN H . 28087 1 48 . 1 . 1 23 23 ASN CA C 13 53.147 0.3 . 1 . . . . . 23 ASN CA . 28087 1 49 . 1 . 1 23 23 ASN CB C 13 38.513 0.3 . 1 . . . . . 23 ASN CB . 28087 1 50 . 1 . 1 23 23 ASN N N 15 122.110 0.3 . 1 . . . . . 23 ASN N . 28087 1 51 . 1 . 1 24 24 GLN H H 1 8.405 0.020 . 1 . . . . . 24 GLN H . 28087 1 52 . 1 . 1 24 24 GLN CA C 13 55.994 0.3 . 1 . . . . . 24 GLN CA . 28087 1 53 . 1 . 1 24 24 GLN CB C 13 28.939 0.3 . 1 . . . . . 24 GLN CB . 28087 1 54 . 1 . 1 24 24 GLN N N 15 121.192 0.3 . 1 . . . . . 24 GLN N . 28087 1 55 . 1 . 1 25 25 ASN H H 1 8.442 0.020 . 1 . . . . . 25 ASN H . 28087 1 56 . 1 . 1 25 25 ASN CA C 13 53.571 0.3 . 1 . . . . . 25 ASN CA . 28087 1 57 . 1 . 1 25 25 ASN CB C 13 38.513 0.3 . 1 . . . . . 25 ASN CB . 28087 1 58 . 1 . 1 25 25 ASN N N 15 119.166 0.3 . 1 . . . . . 25 ASN N . 28087 1 59 . 1 . 1 26 26 ASP H H 1 8.259 0.020 . 1 . . . . . 26 ASP H . 28087 1 60 . 1 . 1 26 26 ASP CA C 13 54.613 0.3 . 1 . . . . . 26 ASP CA . 28087 1 61 . 1 . 1 26 26 ASP CB C 13 40.697 0.3 . 1 . . . . . 26 ASP CB . 28087 1 62 . 1 . 1 26 26 ASP N N 15 120.617 0.3 . 1 . . . . . 26 ASP N . 28087 1 63 . 1 . 1 27 27 GLN H H 1 8.271 0.020 . 1 . . . . . 27 GLN H . 28087 1 64 . 1 . 1 27 27 GLN CA C 13 56.035 0.3 . 1 . . . . . 27 GLN CA . 28087 1 65 . 1 . 1 27 27 GLN CB C 13 28.580 0.3 . 1 . . . . . 27 GLN CB . 28087 1 66 . 1 . 1 27 27 GLN N N 15 119.845 0.3 . 1 . . . . . 27 GLN N . 28087 1 67 . 1 . 1 28 28 LEU H H 1 8.208 0.020 . 1 . . . . . 28 LEU H . 28087 1 68 . 1 . 1 28 28 LEU CA C 13 55.399 0.3 . 1 . . . . . 28 LEU CA . 28087 1 69 . 1 . 1 28 28 LEU CB C 13 41.824 0.3 . 1 . . . . . 28 LEU CB . 28087 1 70 . 1 . 1 28 28 LEU N N 15 122.089 0.3 . 1 . . . . . 28 LEU N . 28087 1 71 . 1 . 1 29 29 GLY H H 1 8.352 0.020 . 1 . . . . . 29 GLY H . 28087 1 72 . 1 . 1 29 29 GLY CA C 13 45.118 0.3 . 1 . . . . . 29 GLY CA . 28087 1 73 . 1 . 1 29 29 GLY N N 15 109.265 0.3 . 1 . . . . . 29 GLY N . 28087 1 74 . 1 . 1 30 30 GLY H H 1 8.221 0.020 . 1 . . . . . 30 GLY H . 28087 1 75 . 1 . 1 30 30 GLY CA C 13 44.983 0.3 . 1 . . . . . 30 GLY CA . 28087 1 76 . 1 . 1 30 30 GLY N N 15 108.703 0.3 . 1 . . . . . 30 GLY N . 28087 1 77 . 1 . 1 31 31 LEU H H 1 8.120 0.020 . 1 . . . . . 31 LEU H . 28087 1 78 . 1 . 1 31 31 LEU CA C 13 55.150 0.3 . 1 . . . . . 31 LEU CA . 28087 1 79 . 1 . 1 31 31 LEU CB C 13 41.965 0.3 . 1 . . . . . 31 LEU CB . 28087 1 80 . 1 . 1 31 31 LEU N N 15 121.410 0.3 . 1 . . . . . 31 LEU N . 28087 1 81 . 1 . 1 32 32 SER H H 1 8.321 0.020 . 1 . . . . . 32 SER H . 28087 1 82 . 1 . 1 32 32 SER CA C 13 58.277 0.3 . 1 . . . . . 32 SER CA . 28087 1 83 . 1 . 1 32 32 SER CB C 13 63.320 0.3 . 1 . . . . . 32 SER CB . 28087 1 84 . 1 . 1 32 32 SER N N 15 116.102 0.3 . 1 . . . . . 32 SER N . 28087 1 85 . 1 . 1 33 33 ASN H H 1 8.361 0.020 . 1 . . . . . 33 ASN H . 28087 1 86 . 1 . 1 33 33 ASN CA C 13 53.302 0.3 . 1 . . . . . 33 ASN CA . 28087 1 87 . 1 . 1 33 33 ASN CB C 13 38.393 0.3 . 1 . . . . . 33 ASN CB . 28087 1 88 . 1 . 1 33 33 ASN N N 15 120.742 0.3 . 1 . . . . . 33 ASN N . 28087 1 89 . 1 . 1 34 34 GLY H H 1 8.316 0.020 . 1 . . . . . 34 GLY H . 28087 1 90 . 1 . 1 34 34 GLY CA C 13 45.351 0.3 . 1 . . . . . 34 GLY CA . 28087 1 91 . 1 . 1 34 34 GLY N N 15 108.731 0.3 . 1 . . . . . 34 GLY N . 28087 1 92 . 1 . 1 35 35 ILE H H 1 7.971 0.020 . 1 . . . . . 35 ILE H . 28087 1 93 . 1 . 1 35 35 ILE CA C 13 61.093 0.3 . 1 . . . . . 35 ILE CA . 28087 1 94 . 1 . 1 35 35 ILE CB C 13 38.567 0.3 . 1 . . . . . 35 ILE CB . 28087 1 95 . 1 . 1 35 35 ILE N N 15 120.028 0.3 . 1 . . . . . 35 ILE N . 28087 1 96 . 1 . 1 36 36 SER H H 1 8.455 0.020 . 1 . . . . . 36 SER H . 28087 1 97 . 1 . 1 36 36 SER CA C 13 58.160 0.3 . 1 . . . . . 36 SER CA . 28087 1 98 . 1 . 1 36 36 SER CB C 13 63.607 0.3 . 1 . . . . . 36 SER CB . 28087 1 99 . 1 . 1 36 36 SER N N 15 119.809 0.3 . 1 . . . . . 36 SER N . 28087 1 100 . 1 . 1 41 41 ASN H H 1 8.400 0.020 . 1 . . . . . 41 ASN H . 28087 1 101 . 1 . 1 41 41 ASN CA C 13 53.254 0.3 . 1 . . . . . 41 ASN CA . 28087 1 102 . 1 . 1 41 41 ASN CB C 13 38.608 0.3 . 1 . . . . . 41 ASN CB . 28087 1 103 . 1 . 1 41 41 ASN N N 15 120.564 0.3 . 1 . . . . . 41 ASN N . 28087 1 104 . 1 . 1 42 42 ALA H H 1 8.241 0.020 . 1 . . . . . 42 ALA H . 28087 1 105 . 1 . 1 42 42 ALA CA C 13 53.083 0.3 . 1 . . . . . 42 ALA CA . 28087 1 106 . 1 . 1 42 42 ALA CB C 13 18.773 0.3 . 1 . . . . . 42 ALA CB . 28087 1 107 . 1 . 1 42 42 ALA N N 15 124.472 0.3 . 1 . . . . . 42 ALA N . 28087 1 108 . 1 . 1 43 43 SER H H 1 8.208 0.020 . 1 . . . . . 43 SER H . 28087 1 109 . 1 . 1 43 43 SER CA C 13 58.690 0.3 . 1 . . . . . 43 SER CA . 28087 1 110 . 1 . 1 43 43 SER CB C 13 63.145 0.3 . 1 . . . . . 43 SER CB . 28087 1 111 . 1 . 1 43 43 SER N N 15 114.329 0.3 . 1 . . . . . 43 SER N . 28087 1 112 . 1 . 1 44 44 LEU H H 1 8.059 0.020 . 1 . . . . . 44 LEU H . 28087 1 113 . 1 . 1 44 44 LEU CA C 13 55.346 0.3 . 1 . . . . . 44 LEU CA . 28087 1 114 . 1 . 1 44 44 LEU CB C 13 41.817 0.3 . 1 . . . . . 44 LEU CB . 28087 1 115 . 1 . 1 44 44 LEU N N 15 123.291 0.3 . 1 . . . . . 44 LEU N . 28087 1 116 . 1 . 1 45 45 GLN H H 1 8.231 0.020 . 1 . . . . . 45 GLN H . 28087 1 117 . 1 . 1 45 45 GLN CA C 13 55.921 0.3 . 1 . . . . . 45 GLN CA . 28087 1 118 . 1 . 1 45 45 GLN CB C 13 28.862 0.3 . 1 . . . . . 45 GLN CB . 28087 1 119 . 1 . 1 45 45 GLN N N 15 120.114 0.3 . 1 . . . . . 45 GLN N . 28087 1 120 . 1 . 1 46 46 ASN H H 1 8.357 0.020 . 1 . . . . . 46 ASN H . 28087 1 121 . 1 . 1 46 46 ASN CA C 13 53.408 0.3 . 1 . . . . . 46 ASN CA . 28087 1 122 . 1 . 1 46 46 ASN CB C 13 38.498 0.3 . 1 . . . . . 46 ASN CB . 28087 1 123 . 1 . 1 46 46 ASN N N 15 119.328 0.3 . 1 . . . . . 46 ASN N . 28087 1 124 . 1 . 1 47 47 GLY H H 1 8.307 0.020 . 1 . . . . . 47 GLY H . 28087 1 125 . 1 . 1 47 47 GLY CA C 13 44.983 0.3 . 1 . . . . . 47 GLY CA . 28087 1 126 . 1 . 1 47 47 GLY N N 15 108.806 0.3 . 1 . . . . . 47 GLY N . 28087 1 127 . 1 . 1 48 48 TYR H H 1 7.962 0.020 . 1 . . . . . 48 TYR H . 28087 1 128 . 1 . 1 48 48 TYR CA C 13 57.922 0.3 . 1 . . . . . 48 TYR CA . 28087 1 129 . 1 . 1 48 48 TYR CB C 13 38.567 0.3 . 1 . . . . . 48 TYR CB . 28087 1 130 . 1 . 1 48 48 TYR N N 15 120.187 0.3 . 1 . . . . . 48 TYR N . 28087 1 131 . 1 . 1 49 49 VAL H H 1 7.924 0.020 . 1 . . . . . 49 VAL H . 28087 1 132 . 1 . 1 49 49 VAL CA C 13 62.024 0.3 . 1 . . . . . 49 VAL CA . 28087 1 133 . 1 . 1 49 49 VAL CB C 13 32.681 0.3 . 1 . . . . . 49 VAL CB . 28087 1 134 . 1 . 1 49 49 VAL N N 15 122.694 0.3 . 1 . . . . . 49 VAL N . 28087 1 135 . 1 . 1 50 50 MET H H 1 8.306 0.020 . 1 . . . . . 50 MET H . 28087 1 136 . 1 . 1 50 50 MET CA C 13 55.314 0.3 . 1 . . . . . 50 MET CA . 28087 1 137 . 1 . 1 50 50 MET CB C 13 32.554 0.3 . 1 . . . . . 50 MET CB . 28087 1 138 . 1 . 1 50 50 MET N N 15 124.224 0.3 . 1 . . . . . 50 MET N . 28087 1 139 . 1 . 1 52 52 GLY H H 1 8.391 0.020 . 1 . . . . . 52 GLY H . 28087 1 140 . 1 . 1 52 52 GLY CA C 13 44.938 0.3 . 1 . . . . . 52 GLY CA . 28087 1 141 . 1 . 1 52 52 GLY N N 15 110.174 0.3 . 1 . . . . . 52 GLY N . 28087 1 142 . 1 . 1 53 53 SER H H 1 8.266 0.020 . 1 . . . . . 53 SER H . 28087 1 143 . 1 . 1 53 53 SER CA C 13 56.314 0.3 . 1 . . . . . 53 SER CA . 28087 1 144 . 1 . 1 53 53 SER CB C 13 63.100 0.3 . 1 . . . . . 53 SER CB . 28087 1 145 . 1 . 1 53 53 SER N N 15 116.695 0.3 . 1 . . . . . 53 SER N . 28087 1 146 . 1 . 1 55 55 GLY H H 1 8.467 0.020 . 1 . . . . . 55 GLY H . 28087 1 147 . 1 . 1 55 55 GLY CA C 13 45.187 0.3 . 1 . . . . . 55 GLY CA . 28087 1 148 . 1 . 1 55 55 GLY N N 15 109.318 0.3 . 1 . . . . . 55 GLY N . 28087 1 149 . 1 . 1 56 56 GLY H H 1 8.235 0.020 . 1 . . . . . 56 GLY H . 28087 1 150 . 1 . 1 56 56 GLY CA C 13 45.187 0.3 . 1 . . . . . 56 GLY CA . 28087 1 151 . 1 . 1 56 56 GLY N N 15 108.585 0.3 . 1 . . . . . 56 GLY N . 28087 1 152 . 1 . 1 58 58 THR H H 1 8.283 0.020 . 1 . . . . . 58 THR H . 28087 1 153 . 1 . 1 58 58 THR CA C 13 61.775 0.3 . 1 . . . . . 58 THR CA . 28087 1 154 . 1 . 1 58 58 THR CB C 13 69.483 0.3 . 1 . . . . . 58 THR CB . 28087 1 155 . 1 . 1 58 58 THR N N 15 115.564 0.3 . 1 . . . . . 58 THR N . 28087 1 156 . 1 . 1 59 59 SER H H 1 8.296 0.020 . 1 . . . . . 59 SER H . 28087 1 157 . 1 . 1 59 59 SER CA C 13 58.260 0.3 . 1 . . . . . 59 SER CA . 28087 1 158 . 1 . 1 59 59 SER CB C 13 63.607 0.3 . 1 . . . . . 59 SER CB . 28087 1 159 . 1 . 1 59 59 SER N N 15 117.795 0.3 . 1 . . . . . 59 SER N . 28087 1 160 . 1 . 1 60 60 SER H H 1 8.371 0.020 . 1 . . . . . 60 SER H . 28087 1 161 . 1 . 1 60 60 SER CA C 13 58.301 0.3 . 1 . . . . . 60 SER CA . 28087 1 162 . 1 . 1 60 60 SER CB C 13 63.631 0.3 . 1 . . . . . 60 SER CB . 28087 1 163 . 1 . 1 60 60 SER N N 15 117.632 0.3 . 1 . . . . . 60 SER N . 28087 1 164 . 1 . 1 61 61 VAL H H 1 8.131 0.020 . 1 . . . . . 61 VAL H . 28087 1 165 . 1 . 1 61 61 VAL CA C 13 62.566 0.3 . 1 . . . . . 61 VAL CA . 28087 1 166 . 1 . 1 61 61 VAL CB C 13 32.173 0.3 . 1 . . . . . 61 VAL CB . 28087 1 167 . 1 . 1 61 61 VAL N N 15 121.487 0.3 . 1 . . . . . 61 VAL N . 28087 1 168 . 1 . 1 62 62 GLY H H 1 8.454 0.020 . 1 . . . . . 62 GLY H . 28087 1 169 . 1 . 1 62 62 GLY CA C 13 45.159 0.3 . 1 . . . . . 62 GLY CA . 28087 1 170 . 1 . 1 62 62 GLY N N 15 112.435 0.3 . 1 . . . . . 62 GLY N . 28087 1 171 . 1 . 1 64 64 ASN H H 1 8.490 0.020 . 1 . . . . . 64 ASN H . 28087 1 172 . 1 . 1 64 64 ASN CA C 13 53.048 0.3 . 1 . . . . . 64 ASN CA . 28087 1 173 . 1 . 1 64 64 ASN CB C 13 38.566 0.3 . 1 . . . . . 64 ASN CB . 28087 1 174 . 1 . 1 64 64 ASN N N 15 120.376 0.3 . 1 . . . . . 64 ASN N . 28087 1 175 . 1 . 1 65 65 ASN H H 1 8.304 0.020 . 1 . . . . . 65 ASN H . 28087 1 176 . 1 . 1 65 65 ASN CA C 13 51.363 0.3 . 1 . . . . . 65 ASN CA . 28087 1 177 . 1 . 1 65 65 ASN CB C 13 38.595 0.3 . 1 . . . . . 65 ASN CB . 28087 1 178 . 1 . 1 65 65 ASN N N 15 120.072 0.3 . 1 . . . . . 65 ASN N . 28087 1 179 . 1 . 1 67 67 VAL H H 1 8.106 0.020 . 1 . . . . . 67 VAL H . 28087 1 180 . 1 . 1 67 67 VAL CA C 13 62.274 0.3 . 1 . . . . . 67 VAL CA . 28087 1 181 . 1 . 1 67 67 VAL CB C 13 32.384 0.3 . 1 . . . . . 67 VAL CB . 28087 1 182 . 1 . 1 67 67 VAL N N 15 119.866 0.3 . 1 . . . . . 67 VAL N . 28087 1 183 . 1 . 1 68 68 HIS H H 1 8.453 0.020 . 1 . . . . . 68 HIS H . 28087 1 184 . 1 . 1 68 68 HIS CA C 13 55.226 0.3 . 1 . . . . . 68 HIS CA . 28087 1 185 . 1 . 1 68 68 HIS CB C 13 29.192 0.3 . 1 . . . . . 68 HIS CB . 28087 1 186 . 1 . 1 68 68 HIS N N 15 122.796 0.3 . 1 . . . . . 68 HIS N . 28087 1 187 . 1 . 1 69 69 LEU H H 1 8.294 0.020 . 1 . . . . . 69 LEU H . 28087 1 188 . 1 . 1 69 69 LEU CA C 13 55.125 0.3 . 1 . . . . . 69 LEU CA . 28087 1 189 . 1 . 1 69 69 LEU CB C 13 42.247 0.3 . 1 . . . . . 69 LEU CB . 28087 1 190 . 1 . 1 69 69 LEU N N 15 124.761 0.3 . 1 . . . . . 69 LEU N . 28087 1 191 . 1 . 1 70 70 ASP H H 1 8.388 0.020 . 1 . . . . . 70 ASP H . 28087 1 192 . 1 . 1 70 70 ASP CA C 13 54.429 0.3 . 1 . . . . . 70 ASP CA . 28087 1 193 . 1 . 1 70 70 ASP CB C 13 40.761 0.3 . 1 . . . . . 70 ASP CB . 28087 1 194 . 1 . 1 70 70 ASP N N 15 121.192 0.3 . 1 . . . . . 70 ASP N . 28087 1 195 . 1 . 1 71 71 GLU H H 1 8.307 0.020 . 1 . . . . . 71 GLU H . 28087 1 196 . 1 . 1 71 71 GLU CA C 13 56.900 0.3 . 1 . . . . . 71 GLU CA . 28087 1 197 . 1 . 1 71 71 GLU CB C 13 29.848 0.3 . 1 . . . . . 71 GLU CB . 28087 1 198 . 1 . 1 71 71 GLU N N 15 121.035 0.3 . 1 . . . . . 71 GLU N . 28087 1 199 . 1 . 1 72 72 PHE H H 1 8.213 0.020 . 1 . . . . . 72 PHE H . 28087 1 200 . 1 . 1 72 72 PHE CA C 13 57.824 0.3 . 1 . . . . . 72 PHE CA . 28087 1 201 . 1 . 1 72 72 PHE CB C 13 38.724 0.3 . 1 . . . . . 72 PHE CB . 28087 1 202 . 1 . 1 72 72 PHE N N 15 120.710 0.3 . 1 . . . . . 72 PHE N . 28087 1 203 . 1 . 1 73 73 LYS H H 1 8.013 0.020 . 1 . . . . . 73 LYS H . 28087 1 204 . 1 . 1 73 73 LYS CA C 13 56.061 0.3 . 1 . . . . . 73 LYS CA . 28087 1 205 . 1 . 1 73 73 LYS CB C 13 32.791 0.3 . 1 . . . . . 73 LYS CB . 28087 1 206 . 1 . 1 73 73 LYS N N 15 122.935 0.3 . 1 . . . . . 73 LYS N . 28087 1 207 . 1 . 1 74 74 MET H H 1 8.309 0.020 . 1 . . . . . 74 MET H . 28087 1 208 . 1 . 1 74 74 MET CA C 13 55.528 0.3 . 1 . . . . . 74 MET CA . 28087 1 209 . 1 . 1 74 74 MET CB C 13 32.736 0.3 . 1 . . . . . 74 MET CB . 28087 1 210 . 1 . 1 74 74 MET N N 15 121.742 0.3 . 1 . . . . . 74 MET N . 28087 1 211 . 1 . 1 75 75 GLU H H 1 8.474 0.020 . 1 . . . . . 75 GLU H . 28087 1 212 . 1 . 1 75 75 GLU CA C 13 56.602 0.3 . 1 . . . . . 75 GLU CA . 28087 1 213 . 1 . 1 75 75 GLU CB C 13 29.989 0.3 . 1 . . . . . 75 GLU CB . 28087 1 214 . 1 . 1 75 75 GLU N N 15 122.014 0.3 . 1 . . . . . 75 GLU N . 28087 1 215 . 1 . 1 76 76 ASN H H 1 8.439 0.020 . 1 . . . . . 76 ASN H . 28087 1 216 . 1 . 1 76 76 ASN CA C 13 53.179 0.3 . 1 . . . . . 76 ASN CA . 28087 1 217 . 1 . 1 76 76 ASN CB C 13 38.654 0.3 . 1 . . . . . 76 ASN CB . 28087 1 218 . 1 . 1 76 76 ASN N N 15 119.537 0.3 . 1 . . . . . 76 ASN N . 28087 1 219 . 1 . 1 77 77 ASN H H 1 8.397 0.020 . 1 . . . . . 77 ASN H . 28087 1 220 . 1 . 1 77 77 ASN CA C 13 53.134 0.3 . 1 . . . . . 77 ASN CA . 28087 1 221 . 1 . 1 77 77 ASN CB C 13 38.630 0.3 . 1 . . . . . 77 ASN CB . 28087 1 222 . 1 . 1 77 77 ASN N N 15 119.197 0.3 . 1 . . . . . 77 ASN N . 28087 1 223 . 1 . 1 78 78 ASN H H 1 8.334 0.020 . 1 . . . . . 78 ASN H . 28087 1 224 . 1 . 1 78 78 ASN CA C 13 53.229 0.3 . 1 . . . . . 78 ASN CA . 28087 1 225 . 1 . 1 78 78 ASN CB C 13 38.149 0.3 . 1 . . . . . 78 ASN CB . 28087 1 226 . 1 . 1 78 78 ASN N N 15 118.851 0.3 . 1 . . . . . 78 ASN N . 28087 1 227 . 1 . 1 80 80 ALA H H 1 8.297 0.020 . 1 . . . . . 80 ALA H . 28087 1 228 . 1 . 1 80 80 ALA CA C 13 52.650 0.3 . 1 . . . . . 80 ALA CA . 28087 1 229 . 1 . 1 80 80 ALA CB C 13 18.858 0.3 . 1 . . . . . 80 ALA CB . 28087 1 230 . 1 . 1 80 80 ALA N N 15 125.117 0.3 . 1 . . . . . 80 ALA N . 28087 1 231 . 1 . 1 81 81 GLY H H 1 8.428 0.020 . 1 . . . . . 81 GLY H . 28087 1 232 . 1 . 1 81 81 GLY CA C 13 44.983 0.3 . 1 . . . . . 81 GLY CA . 28087 1 233 . 1 . 1 81 81 GLY N N 15 108.695 0.3 . 1 . . . . . 81 GLY N . 28087 1 234 . 1 . 1 83 83 ASP H H 1 8.444 0.020 . 1 . . . . . 83 ASP H . 28087 1 235 . 1 . 1 83 83 ASP CA C 13 54.377 0.3 . 1 . . . . . 83 ASP CA . 28087 1 236 . 1 . 1 83 83 ASP CB C 13 40.699 0.3 . 1 . . . . . 83 ASP CB . 28087 1 237 . 1 . 1 83 83 ASP N N 15 122.459 0.3 . 1 . . . . . 83 ASP N . 28087 1 238 . 1 . 1 84 84 ALA H H 1 8.162 0.020 . 1 . . . . . 84 ALA H . 28087 1 239 . 1 . 1 84 84 ALA CA C 13 52.366 0.3 . 1 . . . . . 84 ALA CA . 28087 1 240 . 1 . 1 84 84 ALA CB C 13 18.999 0.3 . 1 . . . . . 84 ALA CB . 28087 1 241 . 1 . 1 84 84 ALA N N 15 124.281 0.3 . 1 . . . . . 84 ALA N . 28087 1 242 . 1 . 1 85 85 GLY H H 1 7.951 0.020 . 1 . . . . . 85 GLY H . 28087 1 243 . 1 . 1 85 85 GLY CA C 13 45.591 0.3 . 1 . . . . . 85 GLY CA . 28087 1 244 . 1 . 1 85 85 GLY N N 15 114.424 0.3 . 1 . . . . . 85 GLY N . 28087 1 stop_ save_