################################### # 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 19774 _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 . _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' . . . 19774 1 2 '3D CBCA(CO)NH' . . . 19774 1 3 '3D HNCACB' . . . 19774 1 4 '3D HNCO' . . . 19774 1 5 '3D 1H-15N TOCSY' . . . 19774 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 3 3 LEU H H 1 8.704 0.020 . 1 . . . A -2 LEU H . 19774 1 2 . 1 1 3 3 LEU HA H 1 4.345 0.020 . 1 . . . A -2 LEU HA . 19774 1 3 . 1 1 3 3 LEU C C 13 178.154 0.3 . 1 . . . A -2 LEU C . 19774 1 4 . 1 1 3 3 LEU CA C 13 55.592 0.3 . 1 . . . A -2 LEU CA . 19774 1 5 . 1 1 3 3 LEU CB C 13 42.228 0.3 . 1 . . . A -2 LEU CB . 19774 1 6 . 1 1 3 3 LEU N N 15 122.796 0.3 . 1 . . . A -2 LEU N . 19774 1 7 . 1 1 4 4 GLY H H 1 8.548 0.020 . 1 . . . A -1 GLY H . 19774 1 8 . 1 1 4 4 GLY HA2 H 1 3.981 0.020 . 1 . . . A -1 GLY HA2 . 19774 1 9 . 1 1 4 4 GLY HA3 H 1 3.981 0.020 . 1 . . . A -1 GLY HA3 . 19774 1 10 . 1 1 4 4 GLY C C 13 174.468 0.3 . 1 . . . A -1 GLY C . 19774 1 11 . 1 1 4 4 GLY CA C 13 45.323 0.3 . 1 . . . A -1 GLY CA . 19774 1 12 . 1 1 4 4 GLY N N 15 110.002 0.3 . 1 . . . A -1 GLY N . 19774 1 13 . 1 1 6 6 ARG H H 1 8.310 0.020 . 1 . . . A 74 ARG H . 19774 1 14 . 1 1 6 6 ARG C C 13 176.256 0.3 . 1 . . . A 74 ARG C . 19774 1 15 . 1 1 6 6 ARG N N 15 120.596 0.3 . 1 . . . A 74 ARG N . 19774 1 16 . 1 1 7 7 LYS H H 1 8.447 0.020 . 1 . . . A 75 LYS H . 19774 1 17 . 1 1 7 7 LYS HA H 1 4.303 0.020 . 1 . . . A 75 LYS HA . 19774 1 18 . 1 1 7 7 LYS C C 13 176.826 0.3 . 1 . . . A 75 LYS C . 19774 1 19 . 1 1 7 7 LYS CA C 13 56.381 0.3 . 1 . . . A 75 LYS CA . 19774 1 20 . 1 1 7 7 LYS CB C 13 32.874 0.3 . 1 . . . A 75 LYS CB . 19774 1 21 . 1 1 7 7 LYS N N 15 123.250 0.3 . 1 . . . A 75 LYS N . 19774 1 22 . 1 1 8 8 ILE H H 1 8.315 0.020 . 1 . . . A 76 ILE H . 19774 1 23 . 1 1 8 8 ILE HA H 1 4.092 0.020 . 1 . . . A 76 ILE HA . 19774 1 24 . 1 1 8 8 ILE C C 13 176.311 0.3 . 1 . . . A 76 ILE C . 19774 1 25 . 1 1 8 8 ILE CA C 13 61.588 0.3 . 1 . . . A 76 ILE CA . 19774 1 26 . 1 1 8 8 ILE CB C 13 38.569 0.3 . 1 . . . A 76 ILE CB . 19774 1 27 . 1 1 8 8 ILE N N 15 123.138 0.3 . 1 . . . A 76 ILE N . 19774 1 28 . 1 1 9 9 ALA H H 1 8.446 0.020 . 1 . . . A 77 ALA H . 19774 1 29 . 1 1 9 9 ALA HA H 1 4.258 0.020 . 1 . . . A 77 ALA HA . 19774 1 30 . 1 1 9 9 ALA C C 13 177.642 0.3 . 1 . . . A 77 ALA C . 19774 1 31 . 1 1 9 9 ALA CA C 13 52.835 0.3 . 1 . . . A 77 ALA CA . 19774 1 32 . 1 1 9 9 ALA CB C 13 19.100 0.3 . 1 . . . A 77 ALA CB . 19774 1 33 . 1 1 9 9 ALA N N 15 127.035 0.3 . 1 . . . A 77 ALA N . 19774 1 34 . 1 1 10 10 GLN H H 1 8.323 0.020 . 1 . . . A 78 GLN H . 19774 1 35 . 1 1 10 10 GLN HA H 1 4.313 0.020 . 1 . . . A 78 GLN HA . 19774 1 36 . 1 1 10 10 GLN C C 13 176.025 0.3 . 1 . . . A 78 GLN C . 19774 1 37 . 1 1 10 10 GLN CA C 13 55.721 0.3 . 1 . . . A 78 GLN CA . 19774 1 38 . 1 1 10 10 GLN CB C 13 29.531 0.3 . 1 . . . A 78 GLN CB . 19774 1 39 . 1 1 10 10 GLN N N 15 119.150 0.3 . 1 . . . A 78 GLN N . 19774 1 40 . 1 1 11 11 MET H H 1 8.410 0.020 . 1 . . . A 79 MET H . 19774 1 41 . 1 1 11 11 MET HA H 1 4.619 0.020 . 1 . . . A 79 MET HA . 19774 1 42 . 1 1 11 11 MET C C 13 177.080 0.3 . 1 . . . A 79 MET C . 19774 1 43 . 1 1 11 11 MET CA C 13 56.021 0.3 . 1 . . . A 79 MET CA . 19774 1 44 . 1 1 11 11 MET CB C 13 34.723 0.3 . 1 . . . A 79 MET CB . 19774 1 45 . 1 1 11 11 MET N N 15 122.456 0.3 . 1 . . . A 79 MET N . 19774 1 46 . 1 1 12 12 THR H H 1 8.915 0.020 . 1 . . . A 80 THR H . 19774 1 47 . 1 1 12 12 THR HA H 1 4.390 0.020 . 1 . . . A 80 THR HA . 19774 1 48 . 1 1 12 12 THR C C 13 175.463 0.3 . 1 . . . A 80 THR C . 19774 1 49 . 1 1 12 12 THR CA C 13 61.546 0.3 . 1 . . . A 80 THR CA . 19774 1 50 . 1 1 12 12 THR CB C 13 70.845 0.3 . 1 . . . A 80 THR CB . 19774 1 51 . 1 1 12 12 THR N N 15 115.145 0.3 . 1 . . . A 80 THR N . 19774 1 52 . 1 1 13 13 GLU H H 1 9.076 0.020 . 1 . . . A 81 GLU H . 19774 1 53 . 1 1 13 13 GLU HA H 1 4.007 0.020 . 1 . . . A 81 GLU HA . 19774 1 54 . 1 1 13 13 GLU C C 13 178.734 0.3 . 1 . . . A 81 GLU C . 19774 1 55 . 1 1 13 13 GLU CA C 13 59.798 0.3 . 1 . . . A 81 GLU CA . 19774 1 56 . 1 1 13 13 GLU CB C 13 29.394 0.3 . 1 . . . A 81 GLU CB . 19774 1 57 . 1 1 13 13 GLU N N 15 122.254 0.3 . 1 . . . A 81 GLU N . 19774 1 58 . 1 1 14 14 GLU H H 1 8.839 0.020 . 1 . . . A 82 GLU H . 19774 1 59 . 1 1 14 14 GLU HA H 1 4.123 0.020 . 1 . . . A 82 GLU HA . 19774 1 60 . 1 1 14 14 GLU C C 13 179.545 0.3 . 1 . . . A 82 GLU C . 19774 1 61 . 1 1 14 14 GLU CA C 13 59.825 0.3 . 1 . . . A 82 GLU CA . 19774 1 62 . 1 1 14 14 GLU CB C 13 29.268 0.3 . 1 . . . A 82 GLU CB . 19774 1 63 . 1 1 14 14 GLU N N 15 119.436 0.3 . 1 . . . A 82 GLU N . 19774 1 64 . 1 1 15 15 GLU H H 1 8.029 0.020 . 1 . . . A 83 GLU H . 19774 1 65 . 1 1 15 15 GLU HA H 1 4.102 0.020 . 1 . . . A 83 GLU HA . 19774 1 66 . 1 1 15 15 GLU C C 13 179.440 0.3 . 1 . . . A 83 GLU C . 19774 1 67 . 1 1 15 15 GLU CA C 13 58.903 0.3 . 1 . . . A 83 GLU CA . 19774 1 68 . 1 1 15 15 GLU CB C 13 30.027 0.3 . 1 . . . A 83 GLU CB . 19774 1 69 . 1 1 15 15 GLU N N 15 121.597 0.3 . 1 . . . A 83 GLU N . 19774 1 70 . 1 1 16 16 GLN H H 1 8.575 0.020 . 1 . . . A 84 GLN H . 19774 1 71 . 1 1 16 16 GLN HA H 1 4.029 0.020 . 1 . . . A 84 GLN HA . 19774 1 72 . 1 1 16 16 GLN C C 13 178.689 0.3 . 1 . . . A 84 GLN C . 19774 1 73 . 1 1 16 16 GLN CA C 13 59.019 0.3 . 1 . . . A 84 GLN CA . 19774 1 74 . 1 1 16 16 GLN CB C 13 28.613 0.3 . 1 . . . A 84 GLN CB . 19774 1 75 . 1 1 16 16 GLN N N 15 120.565 0.3 . 1 . . . A 84 GLN N . 19774 1 76 . 1 1 17 17 PHE H H 1 8.483 0.020 . 1 . . . A 85 PHE H . 19774 1 77 . 1 1 17 17 PHE HA H 1 4.229 0.020 . 1 . . . A 85 PHE HA . 19774 1 78 . 1 1 17 17 PHE C C 13 177.713 0.3 . 1 . . . A 85 PHE C . 19774 1 79 . 1 1 17 17 PHE CA C 13 60.323 0.3 . 1 . . . A 85 PHE CA . 19774 1 80 . 1 1 17 17 PHE CB C 13 38.720 0.3 . 1 . . . A 85 PHE CB . 19774 1 81 . 1 1 17 17 PHE N N 15 121.525 0.3 . 1 . . . A 85 PHE N . 19774 1 82 . 1 1 18 18 ALA H H 1 8.072 0.020 . 1 . . . A 86 ALA H . 19774 1 83 . 1 1 18 18 ALA HA H 1 4.144 0.020 . 1 . . . A 86 ALA HA . 19774 1 84 . 1 1 18 18 ALA C C 13 180.283 0.3 . 1 . . . A 86 ALA C . 19774 1 85 . 1 1 18 18 ALA CA C 13 54.695 0.3 . 1 . . . A 86 ALA CA . 19774 1 86 . 1 1 18 18 ALA CB C 13 18.212 0.3 . 1 . . . A 86 ALA CB . 19774 1 87 . 1 1 18 18 ALA N N 15 121.849 0.3 . 1 . . . A 86 ALA N . 19774 1 88 . 1 1 19 19 LEU H H 1 8.010 0.020 . 1 . . . A 87 LEU H . 19774 1 89 . 1 1 19 19 LEU HA H 1 4.218 0.020 . 1 . . . A 87 LEU HA . 19774 1 90 . 1 1 19 19 LEU C C 13 178.387 0.3 . 1 . . . A 87 LEU C . 19774 1 91 . 1 1 19 19 LEU CA C 13 57.257 0.3 . 1 . . . A 87 LEU CA . 19774 1 92 . 1 1 19 19 LEU CB C 13 41.875 0.3 . 1 . . . A 87 LEU CB . 19774 1 93 . 1 1 19 19 LEU N N 15 120.459 0.3 . 1 . . . A 87 LEU N . 19774 1 94 . 1 1 20 20 ALA H H 1 7.981 0.020 . 1 . . . A 88 ALA H . 19774 1 95 . 1 1 20 20 ALA HA H 1 4.134 0.020 . 1 . . . A 88 ALA HA . 19774 1 96 . 1 1 20 20 ALA C C 13 180.241 0.3 . 1 . . . A 88 ALA C . 19774 1 97 . 1 1 20 20 ALA CA C 13 54.492 0.3 . 1 . . . A 88 ALA CA . 19774 1 98 . 1 1 20 20 ALA CB C 13 17.859 0.3 . 1 . . . A 88 ALA CB . 19774 1 99 . 1 1 20 20 ALA N N 15 122.123 0.3 . 1 . . . A 88 ALA N . 19774 1 100 . 1 1 21 21 LEU H H 1 7.897 0.020 . 1 . . . A 89 LEU H . 19774 1 101 . 1 1 21 21 LEU HA H 1 4.134 0.020 . 1 . . . A 89 LEU HA . 19774 1 102 . 1 1 21 21 LEU C C 13 178.981 0.3 . 1 . . . A 89 LEU C . 19774 1 103 . 1 1 21 21 LEU CA C 13 57.004 0.3 . 1 . . . A 89 LEU CA . 19774 1 104 . 1 1 21 21 LEU CB C 13 41.945 0.3 . 1 . . . A 89 LEU CB . 19774 1 105 . 1 1 21 21 LEU N N 15 119.923 0.3 . 1 . . . A 89 LEU N . 19774 1 106 . 1 1 22 22 LYS H H 1 7.913 0.020 . 1 . . . A 90 LYS H . 19774 1 107 . 1 1 22 22 LYS HA H 1 4.176 0.020 . 1 . . . A 90 LYS HA . 19774 1 108 . 1 1 22 22 LYS C C 13 178.799 0.3 . 1 . . . A 90 LYS C . 19774 1 109 . 1 1 22 22 LYS CA C 13 58.199 0.3 . 1 . . . A 90 LYS CA . 19774 1 110 . 1 1 22 22 LYS CB C 13 32.443 0.3 . 1 . . . A 90 LYS CB . 19774 1 111 . 1 1 22 22 LYS N N 15 120.679 0.3 . 1 . . . A 90 LYS N . 19774 1 112 . 1 1 23 23 MET H H 1 8.392 0.020 . 1 . . . A 91 MET H . 19774 1 113 . 1 1 23 23 MET HA H 1 4.366 0.020 . 1 . . . A 91 MET HA . 19774 1 114 . 1 1 23 23 MET C C 13 177.925 0.3 . 1 . . . A 91 MET C . 19774 1 115 . 1 1 23 23 MET CA C 13 57.121 0.3 . 1 . . . A 91 MET CA . 19774 1 116 . 1 1 23 23 MET CB C 13 32.242 0.3 . 1 . . . A 91 MET CB . 19774 1 117 . 1 1 23 23 MET N N 15 118.958 0.3 . 1 . . . A 91 MET N . 19774 1 118 . 1 1 24 24 SER H H 1 8.268 0.020 . 1 . . . A 92 SER H . 19774 1 119 . 1 1 24 24 SER HA H 1 4.376 0.020 . 1 . . . A 92 SER HA . 19774 1 120 . 1 1 24 24 SER C C 13 175.910 0.3 . 1 . . . A 92 SER C . 19774 1 121 . 1 1 24 24 SER CA C 13 60.139 0.3 . 1 . . . A 92 SER CA . 19774 1 122 . 1 1 24 24 SER CB C 13 63.292 0.3 . 1 . . . A 92 SER CB . 19774 1 123 . 1 1 24 24 SER N N 15 116.458 0.3 . 1 . . . A 92 SER N . 19774 1 124 . 1 1 25 25 GLU H H 1 8.255 0.020 . 1 . . . A 93 GLU H . 19774 1 125 . 1 1 25 25 GLU HA H 1 4.208 0.020 . 1 . . . A 93 GLU HA . 19774 1 126 . 1 1 25 25 GLU CA C 13 57.993 0.3 . 1 . . . A 93 GLU CA . 19774 1 127 . 1 1 25 25 GLU CB C 13 29.786 0.3 . 1 . . . A 93 GLU CB . 19774 1 128 . 1 1 25 25 GLU N N 15 122.379 0.3 . 1 . . . A 93 GLU N . 19774 1 129 . 1 1 26 26 GLN C C 13 177.043 0.3 . 1 . . . A 94 GLN C . 19774 1 130 . 1 1 26 26 GLN CA C 13 57.109 0.3 . 1 . . . A 94 GLN CA . 19774 1 131 . 1 1 26 26 GLN CB C 13 28.971 0.3 . 1 . . . A 94 GLN CB . 19774 1 132 . 1 1 27 27 GLU H H 1 8.294 0.020 . 1 . . . A 95 GLU H . 19774 1 133 . 1 1 27 27 GLU HA H 1 4.166 0.020 . 1 . . . A 95 GLU HA . 19774 1 134 . 1 1 27 27 GLU C C 13 177.150 0.3 . 1 . . . A 95 GLU C . 19774 1 135 . 1 1 27 27 GLU CA C 13 57.579 0.3 . 1 . . . A 95 GLU CA . 19774 1 136 . 1 1 27 27 GLU CB C 13 29.982 0.3 . 1 . . . A 95 GLU CB . 19774 1 137 . 1 1 27 27 GLU N N 15 121.162 0.3 . 1 . . . A 95 GLU N . 19774 1 138 . 1 1 28 28 ALA H H 1 8.209 0.020 . 1 . . . A 96 ALA H . 19774 1 139 . 1 1 28 28 ALA HA H 1 4.313 0.020 . 1 . . . A 96 ALA HA . 19774 1 140 . 1 1 28 28 ALA C C 13 178.276 0.3 . 1 . . . A 96 ALA C . 19774 1 141 . 1 1 28 28 ALA CA C 13 53.182 0.3 . 1 . . . A 96 ALA CA . 19774 1 142 . 1 1 28 28 ALA CB C 13 18.685 0.3 . 1 . . . A 96 ALA CB . 19774 1 143 . 1 1 28 28 ALA N N 15 123.599 0.3 . 1 . . . A 96 ALA N . 19774 1 144 . 1 1 29 29 ARG H H 1 8.123 0.020 . 1 . . . A 97 ARG H . 19774 1 145 . 1 1 29 29 ARG HA H 1 4.292 0.020 . 1 . . . A 97 ARG HA . 19774 1 146 . 1 1 29 29 ARG C C 13 176.904 0.3 . 1 . . . A 97 ARG C . 19774 1 147 . 1 1 29 29 ARG CA C 13 56.702 0.3 . 1 . . . A 97 ARG CA . 19774 1 148 . 1 1 29 29 ARG CB C 13 30.870 0.3 . 1 . . . A 97 ARG CB . 19774 1 149 . 1 1 29 29 ARG N N 15 119.759 0.3 . 1 . . . A 97 ARG N . 19774 1 150 . 1 1 30 30 GLU H H 1 8.382 0.020 . 1 . . . A 98 GLU H . 19774 1 151 . 1 1 30 30 GLU HA H 1 4.260 0.020 . 1 . . . A 98 GLU HA . 19774 1 152 . 1 1 30 30 GLU C C 13 176.939 0.3 . 1 . . . A 98 GLU C . 19774 1 153 . 1 1 30 30 GLU CA C 13 56.950 0.3 . 1 . . . A 98 GLU CA . 19774 1 154 . 1 1 30 30 GLU CB C 13 30.051 0.3 . 1 . . . A 98 GLU CB . 19774 1 155 . 1 1 30 30 GLU N N 15 121.995 0.3 . 1 . . . A 98 GLU N . 19774 1 156 . 1 1 31 31 VAL H H 1 8.269 0.020 . 1 . . . A 99 VAL H . 19774 1 157 . 1 1 31 31 VAL HA H 1 4.071 0.020 . 1 . . . A 99 VAL HA . 19774 1 158 . 1 1 31 31 VAL C C 13 176.276 0.3 . 1 . . . A 99 VAL C . 19774 1 159 . 1 1 31 31 VAL CA C 13 62.936 0.3 . 1 . . . A 99 VAL CA . 19774 1 160 . 1 1 31 31 VAL CB C 13 32.750 0.3 . 1 . . . A 99 VAL CB . 19774 1 161 . 1 1 31 31 VAL N N 15 121.412 0.3 . 1 . . . A 99 VAL N . 19774 1 162 . 1 1 32 32 ASN H H 1 8.642 0.020 . 1 . . . A 100 ASN H . 19774 1 163 . 1 1 32 32 ASN HA H 1 4.819 0.020 . 1 . . . A 100 ASN HA . 19774 1 164 . 1 1 32 32 ASN C C 13 175.671 0.3 . 1 . . . A 100 ASN C . 19774 1 165 . 1 1 32 32 ASN CA C 13 53.425 0.3 . 1 . . . A 100 ASN CA . 19774 1 166 . 1 1 32 32 ASN CB C 13 39.040 0.3 . 1 . . . A 100 ASN CB . 19774 1 167 . 1 1 32 32 ASN N N 15 122.455 0.3 . 1 . . . A 100 ASN N . 19774 1 168 . 1 1 33 33 SER H H 1 8.548 0.020 . 1 . . . A 101 SER H . 19774 1 169 . 1 1 33 33 SER HA H 1 4.408 0.020 . 1 . . . A 101 SER HA . 19774 1 170 . 1 1 33 33 SER C C 13 175.147 0.3 . 1 . . . A 101 SER C . 19774 1 171 . 1 1 33 33 SER CA C 13 59.187 0.3 . 1 . . . A 101 SER CA . 19774 1 172 . 1 1 33 33 SER CB C 13 63.672 0.3 . 1 . . . A 101 SER CB . 19774 1 173 . 1 1 33 33 SER N N 15 117.265 0.3 . 1 . . . A 101 SER N . 19774 1 174 . 1 1 34 34 GLN H H 1 8.596 0.020 . 1 . . . A 102 GLN H . 19774 1 175 . 1 1 34 34 GLN HA H 1 4.292 0.020 . 1 . . . A 102 GLN HA . 19774 1 176 . 1 1 34 34 GLN C C 13 177.127 0.3 . 1 . . . A 102 GLN C . 19774 1 177 . 1 1 34 34 GLN CA C 13 57.385 0.3 . 1 . . . A 102 GLN CA . 19774 1 178 . 1 1 34 34 GLN CB C 13 28.800 0.3 . 1 . . . A 102 GLN CB . 19774 1 179 . 1 1 34 34 GLN N N 15 122.686 0.3 . 1 . . . A 102 GLN N . 19774 1 180 . 1 1 35 35 GLU H H 1 8.502 0.020 . 1 . . . A 103 GLU H . 19774 1 181 . 1 1 35 35 GLU HA H 1 4.176 0.020 . 1 . . . A 103 GLU HA . 19774 1 182 . 1 1 35 35 GLU C C 13 178.080 0.3 . 1 . . . A 103 GLU C . 19774 1 183 . 1 1 35 35 GLU CA C 13 58.301 0.3 . 1 . . . A 103 GLU CA . 19774 1 184 . 1 1 35 35 GLU CB C 13 29.701 0.3 . 1 . . . A 103 GLU CB . 19774 1 185 . 1 1 35 35 GLU N N 15 121.071 0.3 . 1 . . . A 103 GLU N . 19774 1 186 . 1 1 36 36 GLU H H 1 8.389 0.020 . 1 . . . A 104 GLU H . 19774 1 187 . 1 1 36 36 GLU C C 13 178.186 0.3 . 1 . . . A 104 GLU C . 19774 1 188 . 1 1 36 36 GLU N N 15 121.073 0.3 . 1 . . . A 104 GLU N . 19774 1 189 . 1 1 37 37 GLU H H 1 8.454 0.020 . 1 . . . A 105 GLU H . 19774 1 190 . 1 1 37 37 GLU C C 13 178.380 0.3 . 1 . . . A 105 GLU C . 19774 1 191 . 1 1 37 37 GLU N N 15 121.561 0.3 . 1 . . . A 105 GLU N . 19774 1 192 . 1 1 38 38 GLU H H 1 8.473 0.020 . 1 . . . A 106 GLU H . 19774 1 193 . 1 1 38 38 GLU C C 13 178.758 0.3 . 1 . . . A 106 GLU C . 19774 1 194 . 1 1 38 38 GLU N N 15 120.852 0.3 . 1 . . . A 106 GLU N . 19774 1 195 . 1 1 39 39 GLU H H 1 8.396 0.020 . 1 . . . A 107 GLU H . 19774 1 196 . 1 1 39 39 GLU C C 13 178.661 0.3 . 1 . . . A 107 GLU C . 19774 1 197 . 1 1 39 39 GLU N N 15 120.445 0.3 . 1 . . . A 107 GLU N . 19774 1 198 . 1 1 40 40 GLU H H 1 8.139 0.020 . 1 . . . A 108 GLU H . 19774 1 199 . 1 1 40 40 GLU C C 13 178.454 0.3 . 1 . . . A 108 GLU C . 19774 1 200 . 1 1 40 40 GLU N N 15 121.089 0.3 . 1 . . . A 108 GLU N . 19774 1 201 . 1 1 41 41 LEU H H 1 8.097 0.020 . 1 . . . A 109 LEU H . 19774 1 202 . 1 1 41 41 LEU HA H 1 4.113 0.020 . 1 . . . A 109 LEU HA . 19774 1 203 . 1 1 41 41 LEU C C 13 180.104 0.3 . 1 . . . A 109 LEU C . 19774 1 204 . 1 1 41 41 LEU CA C 13 57.910 0.3 . 1 . . . A 109 LEU CA . 19774 1 205 . 1 1 41 41 LEU CB C 13 41.691 0.3 . 1 . . . A 109 LEU CB . 19774 1 206 . 1 1 41 41 LEU N N 15 120.552 0.3 . 1 . . . A 109 LEU N . 19774 1 207 . 1 1 42 42 LEU H H 1 7.964 0.020 . 1 . . . A 110 LEU H . 19774 1 208 . 1 1 42 42 LEU HA H 1 4.239 0.020 . 1 . . . A 110 LEU HA . 19774 1 209 . 1 1 42 42 LEU CA C 13 57.495 0.3 . 1 . . . A 110 LEU CA . 19774 1 210 . 1 1 42 42 LEU CB C 13 41.656 0.3 . 1 . . . A 110 LEU CB . 19774 1 211 . 1 1 42 42 LEU N N 15 121.275 0.3 . 1 . . . A 110 LEU N . 19774 1 212 . 1 1 44 44 LYS H H 1 8.279 0.020 . 1 . . . A 112 LYS H . 19774 1 213 . 1 1 44 44 LYS C C 13 177.904 0.3 . 1 . . . A 112 LYS C . 19774 1 214 . 1 1 44 44 LYS N N 15 120.602 0.3 . 1 . . . A 112 LYS N . 19774 1 215 . 1 1 45 45 ALA H H 1 7.992 0.020 . 1 . . . A 113 ALA H . 19774 1 216 . 1 1 45 45 ALA HA H 1 4.282 0.020 . 1 . . . A 113 ALA HA . 19774 1 217 . 1 1 45 45 ALA C C 13 180.557 0.3 . 1 . . . A 113 ALA C . 19774 1 218 . 1 1 45 45 ALA CA C 13 54.476 0.3 . 1 . . . A 113 ALA CA . 19774 1 219 . 1 1 45 45 ALA CB C 13 18.266 0.3 . 1 . . . A 113 ALA CB . 19774 1 220 . 1 1 45 45 ALA N N 15 122.972 0.3 . 1 . . . A 113 ALA N . 19774 1 221 . 1 1 46 46 ILE H H 1 8.231 0.020 . 1 . . . A 114 ILE H . 19774 1 222 . 1 1 46 46 ILE HA H 1 3.849 0.020 . 1 . . . A 114 ILE HA . 19774 1 223 . 1 1 46 46 ILE C C 13 178.314 0.3 . 1 . . . A 114 ILE C . 19774 1 224 . 1 1 46 46 ILE CA C 13 63.783 0.3 . 1 . . . A 114 ILE CA . 19774 1 225 . 1 1 46 46 ILE CB C 13 38.331 0.3 . 1 . . . A 114 ILE CB . 19774 1 226 . 1 1 46 46 ILE N N 15 120.299 0.3 . 1 . . . A 114 ILE N . 19774 1 227 . 1 1 47 47 ALA H H 1 8.087 0.020 . 1 . . . A 115 ALA H . 19774 1 228 . 1 1 47 47 ALA HA H 1 4.208 0.020 . 1 . . . A 115 ALA HA . 19774 1 229 . 1 1 47 47 ALA C C 13 179.824 0.3 . 1 . . . A 115 ALA C . 19774 1 230 . 1 1 47 47 ALA CA C 13 54.557 0.3 . 1 . . . A 115 ALA CA . 19774 1 231 . 1 1 47 47 ALA CB C 13 18.281 0.3 . 1 . . . A 115 ALA CB . 19774 1 232 . 1 1 47 47 ALA N N 15 124.227 0.3 . 1 . . . A 115 ALA N . 19774 1 233 . 1 1 48 48 GLU H H 1 8.322 0.020 . 1 . . . A 116 GLU H . 19774 1 234 . 1 1 48 48 GLU HA H 1 4.208 0.020 . 1 . . . A 116 GLU HA . 19774 1 235 . 1 1 48 48 GLU C C 13 178.142 0.3 . 1 . . . A 116 GLU C . 19774 1 236 . 1 1 48 48 GLU CA C 13 57.988 0.3 . 1 . . . A 116 GLU CA . 19774 1 237 . 1 1 48 48 GLU CB C 13 29.653 0.3 . 1 . . . A 116 GLU CB . 19774 1 238 . 1 1 48 48 GLU N N 15 118.344 0.3 . 1 . . . A 116 GLU N . 19774 1 239 . 1 1 49 49 SER H H 1 8.050 0.020 . 1 . . . A 117 SER H . 19774 1 240 . 1 1 49 49 SER HA H 1 4.380 0.020 . 1 . . . A 117 SER HA . 19774 1 241 . 1 1 49 49 SER C C 13 175.595 0.3 . 1 . . . A 117 SER C . 19774 1 242 . 1 1 49 49 SER CA C 13 59.926 0.3 . 1 . . . A 117 SER CA . 19774 1 243 . 1 1 49 49 SER CB C 13 63.351 0.3 . 1 . . . A 117 SER CB . 19774 1 244 . 1 1 49 49 SER N N 15 115.778 0.3 . 1 . . . A 117 SER N . 19774 1 245 . 1 1 50 50 LEU H H 1 7.984 0.020 . 1 . . . A 118 LEU H . 19774 1 246 . 1 1 50 50 LEU HA H 1 4.282 0.020 . 1 . . . A 118 LEU HA . 19774 1 247 . 1 1 50 50 LEU C C 13 177.998 0.3 . 1 . . . A 118 LEU C . 19774 1 248 . 1 1 50 50 LEU CA C 13 56.141 0.3 . 1 . . . A 118 LEU CA . 19774 1 249 . 1 1 50 50 LEU CB C 13 42.074 0.3 . 1 . . . A 118 LEU CB . 19774 1 250 . 1 1 50 50 LEU N N 15 122.792 0.3 . 1 . . . A 118 LEU N . 19774 1 251 . 1 1 51 51 ASN H H 1 8.199 0.020 . 1 . . . A 119 ASN H . 19774 1 252 . 1 1 51 51 ASN HA H 1 4.703 0.020 . 1 . . . A 119 ASN HA . 19774 1 253 . 1 1 51 51 ASN C C 13 175.640 0.3 . 1 . . . A 119 ASN C . 19774 1 254 . 1 1 51 51 ASN CA C 13 53.761 0.3 . 1 . . . A 119 ASN CA . 19774 1 255 . 1 1 51 51 ASN CB C 13 38.823 0.3 . 1 . . . A 119 ASN CB . 19774 1 256 . 1 1 51 51 ASN N N 15 118.030 0.3 . 1 . . . A 119 ASN N . 19774 1 257 . 1 1 52 52 SER H H 1 8.200 0.020 . 1 . . . A 120 SER H . 19774 1 258 . 1 1 52 52 SER HA H 1 4.473 0.020 . 1 . . . A 120 SER HA . 19774 1 259 . 1 1 52 52 SER CA C 13 58.803 0.3 . 1 . . . A 120 SER CA . 19774 1 260 . 1 1 52 52 SER CB C 13 63.708 0.3 . 1 . . . A 120 SER CB . 19774 1 261 . 1 1 52 52 SER N N 15 115.677 0.3 . 1 . . . A 120 SER N . 19774 1 262 . 1 1 55 55 PRO C C 13 177.186 0.3 . 1 . . . A 123 PRO C . 19774 1 263 . 1 1 55 55 PRO CA C 13 63.358 0.3 . 1 . . . A 123 PRO CA . 19774 1 264 . 1 1 55 55 PRO CB C 13 32.163 0.3 . 1 . . . A 123 PRO CB . 19774 1 265 . 1 1 56 56 SER H H 1 8.596 0.020 . 1 . . . A 124 SER H . 19774 1 266 . 1 1 56 56 SER HA H 1 4.990 0.020 . 1 . . . A 124 SER HA . 19774 1 267 . 1 1 56 56 SER C C 13 174.548 0.3 . 1 . . . A 124 SER C . 19774 1 268 . 1 1 56 56 SER CA C 13 58.600 0.3 . 1 . . . A 124 SER CA . 19774 1 269 . 1 1 56 56 SER CB C 13 63.727 0.3 . 1 . . . A 124 SER CB . 19774 1 270 . 1 1 56 56 SER N N 15 116.200 0.3 . 1 . . . A 124 SER N . 19774 1 271 . 1 1 57 57 ASP H H 1 8.427 0.020 . 1 . . . A 125 ASP H . 19774 1 272 . 1 1 57 57 ASP HA H 1 4.608 0.020 . 1 . . . A 125 ASP HA . 19774 1 273 . 1 1 57 57 ASP C C 13 176.378 0.3 . 1 . . . A 125 ASP C . 19774 1 274 . 1 1 57 57 ASP CA C 13 54.247 0.3 . 1 . . . A 125 ASP CA . 19774 1 275 . 1 1 57 57 ASP CB C 13 41.080 0.3 . 1 . . . A 125 ASP CB . 19774 1 276 . 1 1 57 57 ASP N N 15 122.649 0.3 . 1 . . . A 125 ASP N . 19774 1 277 . 1 1 58 58 ALA H H 1 8.401 0.020 . 1 . . . A 126 ALA H . 19774 1 278 . 1 1 58 58 ALA HA H 1 4.303 0.020 . 1 . . . A 126 ALA HA . 19774 1 279 . 1 1 58 58 ALA C C 13 178.138 0.3 . 1 . . . A 126 ALA C . 19774 1 280 . 1 1 58 58 ALA CA C 13 53.067 0.3 . 1 . . . A 126 ALA CA . 19774 1 281 . 1 1 58 58 ALA CB C 13 18.919 0.3 . 1 . . . A 126 ALA CB . 19774 1 282 . 1 1 58 58 ALA N N 15 124.975 0.3 . 1 . . . A 126 ALA N . 19774 1 283 . 1 1 59 59 SER H H 1 8.403 0.020 . 1 . . . A 127 SER H . 19774 1 284 . 1 1 59 59 SER HA H 1 4.380 0.020 . 1 . . . A 127 SER HA . 19774 1 285 . 1 1 59 59 SER C C 13 174.582 0.3 . 1 . . . A 127 SER C . 19774 1 286 . 1 1 59 59 SER CA C 13 58.826 0.3 . 1 . . . A 127 SER CA . 19774 1 287 . 1 1 59 59 SER CB C 13 63.662 0.3 . 1 . . . A 127 SER CB . 19774 1 288 . 1 1 59 59 SER N N 15 114.892 0.3 . 1 . . . A 127 SER N . 19774 1 289 . 1 1 60 60 ALA H H 1 8.266 0.020 . 1 . . . A 128 ALA H . 19774 1 290 . 1 1 60 60 ALA HA H 1 4.389 0.020 . 1 . . . A 128 ALA HA . 19774 1 291 . 1 1 60 60 ALA C C 13 177.957 0.3 . 1 . . . A 128 ALA C . 19774 1 292 . 1 1 60 60 ALA CA C 13 52.712 0.3 . 1 . . . A 128 ALA CA . 19774 1 293 . 1 1 60 60 ALA CB C 13 19.244 0.3 . 1 . . . A 128 ALA CB . 19774 1 294 . 1 1 60 60 ALA N N 15 125.815 0.3 . 1 . . . A 128 ALA N . 19774 1 295 . 1 1 61 61 THR H H 1 8.200 0.020 . 1 . . . A 129 THR H . 19774 1 296 . 1 1 61 61 THR HA H 1 4.310 0.020 . 1 . . . A 129 THR HA . 19774 1 297 . 1 1 61 61 THR C C 13 174.414 0.3 . 1 . . . A 129 THR C . 19774 1 298 . 1 1 61 61 THR CA C 13 62.010 0.3 . 1 . . . A 129 THR CA . 19774 1 299 . 1 1 61 61 THR CB C 13 69.748 0.3 . 1 . . . A 129 THR CB . 19774 1 300 . 1 1 61 61 THR N N 15 113.766 0.3 . 1 . . . A 129 THR N . 19774 1 301 . 1 1 62 62 ARG H H 1 8.457 0.020 . 1 . . . A 130 ARG H . 19774 1 302 . 1 1 62 62 ARG HA H 1 4.450 0.020 . 1 . . . A 130 ARG HA . 19774 1 303 . 1 1 62 62 ARG C C 13 175.443 0.3 . 1 . . . A 130 ARG C . 19774 1 304 . 1 1 62 62 ARG CA C 13 55.979 0.3 . 1 . . . A 130 ARG CA . 19774 1 305 . 1 1 62 62 ARG CB C 13 30.903 0.3 . 1 . . . A 130 ARG CB . 19774 1 306 . 1 1 62 62 ARG N N 15 124.611 0.3 . 1 . . . A 130 ARG N . 19774 1 307 . 1 1 63 63 SER H H 1 8.176 0.020 . 1 . . . A 131 SER H . 19774 1 308 . 1 1 63 63 SER HA H 1 3.849 0.020 . 1 . . . A 131 SER HA . 19774 1 309 . 1 1 63 63 SER CA C 13 59.999 0.3 . 1 . . . A 131 SER CA . 19774 1 310 . 1 1 63 63 SER CB C 13 64.713 0.3 . 1 . . . A 131 SER CB . 19774 1 311 . 1 1 63 63 SER N N 15 123.469 0.3 . 1 . . . A 131 SER N . 19774 1 stop_ save_