################################### # 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 53092 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name His6-SUMO-tail-dye _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 TROSY' . . . 53092 1 2 '3D CBCA(CO)NH' . . . 53092 1 3 '3D HNCA' . . . 53092 1 4 '3D HNCACB' . . . 53092 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 . . 53092 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 12 12 MET CA C 13 55.755 0.3 . 1 . . . . . 12 MET CA . 53092 1 2 . 1 . 1 13 13 SER H H 1 8.216 0.020 . 1 . . . . . 13 SER H . 53092 1 3 . 1 . 1 13 13 SER CA C 13 58.441 0.3 . 1 . . . . . 13 SER CA . 53092 1 4 . 1 . 1 13 13 SER N N 15 117.016 0.3 . 1 . . . . . 13 SER N . 53092 1 5 . 1 . 1 14 14 ASP H H 1 8.276 0.020 . 1 . . . . . 14 ASP H . 53092 1 6 . 1 . 1 14 14 ASP CA C 13 54.736 0.3 . 1 . . . . . 14 ASP CA . 53092 1 7 . 1 . 1 14 14 ASP N N 15 123.052 0.3 . 1 . . . . . 14 ASP N . 53092 1 8 . 1 . 1 15 15 SER H H 1 8.077 0.020 . 1 . . . . . 15 SER H . 53092 1 9 . 1 . 1 15 15 SER CA C 13 58.707 0.3 . 1 . . . . . 15 SER CA . 53092 1 10 . 1 . 1 15 15 SER N N 15 115.745 0.3 . 1 . . . . . 15 SER N . 53092 1 11 . 1 . 1 16 16 GLU H H 1 8.235 0.020 . 1 . . . . . 16 GLU H . 53092 1 12 . 1 . 1 16 16 GLU CA C 13 56.744 0.3 . 1 . . . . . 16 GLU CA . 53092 1 13 . 1 . 1 16 16 GLU N N 15 123.034 0.3 . 1 . . . . . 16 GLU N . 53092 1 14 . 1 . 1 17 17 VAL H H 1 7.910 0.020 . 1 . . . . . 17 VAL H . 53092 1 15 . 1 . 1 17 17 VAL CA C 13 62.501 0.3 . 1 . . . . . 17 VAL CA . 53092 1 16 . 1 . 1 17 17 VAL N N 15 120.428 0.3 . 1 . . . . . 17 VAL N . 53092 1 17 . 1 . 1 18 18 ASN H H 1 8.329 0.020 . 1 . . . . . 18 ASN H . 53092 1 18 . 1 . 1 18 18 ASN CA C 13 53.220 0.3 . 1 . . . . . 18 ASN CA . 53092 1 19 . 1 . 1 18 18 ASN N N 15 122.510 0.3 . 1 . . . . . 18 ASN N . 53092 1 20 . 1 . 1 19 19 GLN H H 1 8.282 0.020 . 1 . . . . . 19 GLN H . 53092 1 21 . 1 . 1 19 19 GLN CA C 13 55.906 0.3 . 1 . . . . . 19 GLN CA . 53092 1 22 . 1 . 1 19 19 GLN N N 15 121.780 0.3 . 1 . . . . . 19 GLN N . 53092 1 23 . 1 . 1 20 20 GLU H H 1 8.276 0.020 . 1 . . . . . 20 GLU H . 53092 1 24 . 1 . 1 20 20 GLU CA C 13 56.513 0.3 . 1 . . . . . 20 GLU CA . 53092 1 25 . 1 . 1 20 20 GLU N N 15 122.153 0.3 . 1 . . . . . 20 GLU N . 53092 1 26 . 1 . 1 21 21 ALA H H 1 8.124 0.020 . 1 . . . . . 21 ALA H . 53092 1 27 . 1 . 1 21 21 ALA CA C 13 52.257 0.3 . 1 . . . . . 21 ALA CA . 53092 1 28 . 1 . 1 21 21 ALA CB C 13 18.974 0.3 . 1 . . . . . 21 ALA CB . 53092 1 29 . 1 . 1 21 21 ALA N N 15 125.792 0.3 . 1 . . . . . 21 ALA N . 53092 1 30 . 1 . 1 22 22 LYS H H 1 8.163 0.020 . 1 . . . . . 22 LYS H . 53092 1 31 . 1 . 1 22 22 LYS CA C 13 53.944 0.3 . 1 . . . . . 22 LYS CA . 53092 1 32 . 1 . 1 22 22 LYS N N 15 122.761 0.3 . 1 . . . . . 22 LYS N . 53092 1 33 . 1 . 1 28 28 GLU H H 1 8.400 0.020 . 1 . . . . . 28 GLU H . 53092 1 34 . 1 . 1 28 28 GLU CA C 13 56.447 0.3 . 1 . . . . . 28 GLU CA . 53092 1 35 . 1 . 1 28 28 GLU N N 15 122.007 0.3 . 1 . . . . . 28 GLU N . 53092 1 36 . 1 . 1 29 29 VAL H H 1 8.094 0.020 . 1 . . . . . 29 VAL H . 53092 1 37 . 1 . 1 29 29 VAL CA C 13 62.160 0.3 . 1 . . . . . 29 VAL CA . 53092 1 38 . 1 . 1 29 29 VAL N N 15 122.985 0.3 . 1 . . . . . 29 VAL N . 53092 1 39 . 1 . 1 30 30 LYS H H 1 8.318 0.020 . 1 . . . . . 30 LYS H . 53092 1 40 . 1 . 1 30 30 LYS CA C 13 53.937 0.3 . 1 . . . . . 30 LYS CA . 53092 1 41 . 1 . 1 30 30 LYS N N 15 127.575 0.3 . 1 . . . . . 30 LYS N . 53092 1 42 . 1 . 1 32 32 GLU H H 1 8.499 0.020 . 1 . . . . . 32 GLU H . 53092 1 43 . 1 . 1 32 32 GLU CA C 13 56.265 0.3 . 1 . . . . . 32 GLU CA . 53092 1 44 . 1 . 1 32 32 GLU N N 15 121.971 0.3 . 1 . . . . . 32 GLU N . 53092 1 45 . 1 . 1 33 33 THR H H 1 8.236 0.020 . 1 . . . . . 33 THR H . 53092 1 46 . 1 . 1 33 33 THR CA C 13 62.408 0.3 . 1 . . . . . 33 THR CA . 53092 1 47 . 1 . 1 33 33 THR N N 15 115.602 0.3 . 1 . . . . . 33 THR N . 53092 1 48 . 1 . 1 34 34 HIS CA C 13 55.672 0.3 . 1 . . . . . 34 HIS CA . 53092 1 49 . 1 . 1 35 35 ILE H H 1 9.059 0.020 . 1 . . . . . 35 ILE H . 53092 1 50 . 1 . 1 35 35 ILE CA C 13 59.564 0.3 . 1 . . . . . 35 ILE CA . 53092 1 51 . 1 . 1 35 35 ILE N N 15 117.617 0.3 . 1 . . . . . 35 ILE N . 53092 1 52 . 1 . 1 36 36 ASN H H 1 8.902 0.020 . 1 . . . . . 36 ASN H . 53092 1 53 . 1 . 1 36 36 ASN CA C 13 52.215 0.3 . 1 . . . . . 36 ASN CA . 53092 1 54 . 1 . 1 36 36 ASN N N 15 123.275 0.3 . 1 . . . . . 36 ASN N . 53092 1 55 . 1 . 1 37 37 LEU H H 1 8.992 0.020 . 1 . . . . . 37 LEU H . 53092 1 56 . 1 . 1 37 37 LEU CA C 13 53.167 0.3 . 1 . . . . . 37 LEU CA . 53092 1 57 . 1 . 1 37 37 LEU N N 15 123.940 0.3 . 1 . . . . . 37 LEU N . 53092 1 58 . 1 . 1 38 38 LYS H H 1 8.415 0.020 . 1 . . . . . 38 LYS H . 53092 1 59 . 1 . 1 38 38 LYS CA C 13 54.312 0.3 . 1 . . . . . 38 LYS CA . 53092 1 60 . 1 . 1 38 38 LYS N N 15 122.031 0.3 . 1 . . . . . 38 LYS N . 53092 1 61 . 1 . 1 39 39 VAL H H 1 8.838 0.020 . 1 . . . . . 39 VAL H . 53092 1 62 . 1 . 1 39 39 VAL CA C 13 60.022 0.3 . 1 . . . . . 39 VAL CA . 53092 1 63 . 1 . 1 39 39 VAL N N 15 124.361 0.3 . 1 . . . . . 39 VAL N . 53092 1 64 . 1 . 1 40 40 SER H H 1 8.433 0.020 . 1 . . . . . 40 SER H . 53092 1 65 . 1 . 1 40 40 SER CA C 13 55.176 0.3 . 1 . . . . . 40 SER CA . 53092 1 66 . 1 . 1 40 40 SER N N 15 119.002 0.3 . 1 . . . . . 40 SER N . 53092 1 67 . 1 . 1 41 41 ASP H H 1 8.458 0.020 . 1 . . . . . 41 ASP H . 53092 1 68 . 1 . 1 41 41 ASP CA C 13 52.621 0.3 . 1 . . . . . 41 ASP CA . 53092 1 69 . 1 . 1 41 41 ASP N N 15 127.198 0.3 . 1 . . . . . 41 ASP N . 53092 1 70 . 1 . 1 42 42 GLY H H 1 8.701 0.020 . 1 . . . . . 42 GLY H . 53092 1 71 . 1 . 1 42 42 GLY CA C 13 45.395 0.3 . 1 . . . . . 42 GLY CA . 53092 1 72 . 1 . 1 42 42 GLY N N 15 111.437 0.3 . 1 . . . . . 42 GLY N . 53092 1 73 . 1 . 1 43 43 SER H H 1 8.507 0.020 . 1 . . . . . 43 SER H . 53092 1 74 . 1 . 1 43 43 SER CA C 13 59.597 0.3 . 1 . . . . . 43 SER CA . 53092 1 75 . 1 . 1 43 43 SER N N 15 116.985 0.3 . 1 . . . . . 43 SER N . 53092 1 76 . 1 . 1 44 44 SER H H 1 9.261 0.020 . 1 . . . . . 44 SER H . 53092 1 77 . 1 . 1 44 44 SER CA C 13 58.063 0.3 . 1 . . . . . 44 SER CA . 53092 1 78 . 1 . 1 44 44 SER N N 15 120.270 0.3 . 1 . . . . . 44 SER N . 53092 1 79 . 1 . 1 45 45 GLU H H 1 8.268 0.020 . 1 . . . . . 45 GLU H . 53092 1 80 . 1 . 1 45 45 GLU CA C 13 54.585 0.3 . 1 . . . . . 45 GLU CA . 53092 1 81 . 1 . 1 45 45 GLU N N 15 121.071 0.3 . 1 . . . . . 45 GLU N . 53092 1 82 . 1 . 1 46 46 ILE H H 1 8.677 0.020 . 1 . . . . . 46 ILE H . 53092 1 83 . 1 . 1 46 46 ILE CA C 13 59.828 0.3 . 1 . . . . . 46 ILE CA . 53092 1 84 . 1 . 1 46 46 ILE N N 15 122.183 0.3 . 1 . . . . . 46 ILE N . 53092 1 85 . 1 . 1 47 47 PHE H H 1 8.338 0.020 . 1 . . . . . 47 PHE H . 53092 1 86 . 1 . 1 47 47 PHE CA C 13 57.387 0.3 . 1 . . . . . 47 PHE CA . 53092 1 87 . 1 . 1 47 47 PHE N N 15 124.983 0.3 . 1 . . . . . 47 PHE N . 53092 1 88 . 1 . 1 48 48 PHE H H 1 9.330 0.020 . 1 . . . . . 48 PHE H . 53092 1 89 . 1 . 1 48 48 PHE CA C 13 57.370 0.3 . 1 . . . . . 48 PHE CA . 53092 1 90 . 1 . 1 48 48 PHE N N 15 121.603 0.3 . 1 . . . . . 48 PHE N . 53092 1 91 . 1 . 1 49 49 LYS H H 1 8.365 0.020 . 1 . . . . . 49 LYS H . 53092 1 92 . 1 . 1 49 49 LYS CA C 13 55.493 0.3 . 1 . . . . . 49 LYS CA . 53092 1 93 . 1 . 1 49 49 LYS N N 15 125.117 0.3 . 1 . . . . . 49 LYS N . 53092 1 94 . 1 . 1 50 50 ILE H H 1 8.899 0.020 . 1 . . . . . 50 ILE H . 53092 1 95 . 1 . 1 50 50 ILE CA C 13 59.168 0.3 . 1 . . . . . 50 ILE CA . 53092 1 96 . 1 . 1 50 50 ILE N N 15 122.885 0.3 . 1 . . . . . 50 ILE N . 53092 1 97 . 1 . 1 51 51 LYS H H 1 8.253 0.020 . 1 . . . . . 51 LYS H . 53092 1 98 . 1 . 1 51 51 LYS CA C 13 57.077 0.3 . 1 . . . . . 51 LYS CA . 53092 1 99 . 1 . 1 51 51 LYS N N 15 124.461 0.3 . 1 . . . . . 51 LYS N . 53092 1 100 . 1 . 1 52 52 LYS H H 1 8.457 0.020 . 1 . . . . . 52 LYS H . 53092 1 101 . 1 . 1 52 52 LYS CA C 13 59.779 0.3 . 1 . . . . . 52 LYS CA . 53092 1 102 . 1 . 1 52 52 LYS N N 15 120.242 0.3 . 1 . . . . . 52 LYS N . 53092 1 103 . 1 . 1 53 53 THR H H 1 6.784 0.020 . 1 . . . . . 53 THR H . 53092 1 104 . 1 . 1 53 53 THR CA C 13 60.050 0.3 . 1 . . . . . 53 THR CA . 53092 1 105 . 1 . 1 53 53 THR N N 15 101.287 0.3 . 1 . . . . . 53 THR N . 53092 1 106 . 1 . 1 54 54 THR H H 1 7.470 0.020 . 1 . . . . . 54 THR H . 53092 1 107 . 1 . 1 54 54 THR CA C 13 60.950 0.3 . 1 . . . . . 54 THR CA . 53092 1 108 . 1 . 1 54 54 THR N N 15 124.060 0.3 . 1 . . . . . 54 THR N . 53092 1 109 . 1 . 1 56 56 LEU H H 1 9.136 0.020 . 1 . . . . . 56 LEU H . 53092 1 110 . 1 . 1 56 56 LEU CA C 13 57.370 0.3 . 1 . . . . . 56 LEU CA . 53092 1 111 . 1 . 1 56 56 LEU N N 15 124.459 0.3 . 1 . . . . . 56 LEU N . 53092 1 112 . 1 . 1 57 57 ARG H H 1 8.475 0.020 . 1 . . . . . 57 ARG H . 53092 1 113 . 1 . 1 57 57 ARG CA C 13 60.026 0.3 . 1 . . . . . 57 ARG CA . 53092 1 114 . 1 . 1 57 57 ARG N N 15 121.704 0.3 . 1 . . . . . 57 ARG N . 53092 1 115 . 1 . 1 58 58 ARG H H 1 7.770 0.020 . 1 . . . . . 58 ARG H . 53092 1 116 . 1 . 1 58 58 ARG CA C 13 58.728 0.3 . 1 . . . . . 58 ARG CA . 53092 1 117 . 1 . 1 58 58 ARG N N 15 114.969 0.3 . 1 . . . . . 58 ARG N . 53092 1 118 . 1 . 1 59 59 LEU H H 1 6.986 0.020 . 1 . . . . . 59 LEU H . 53092 1 119 . 1 . 1 59 59 LEU CA C 13 57.569 0.3 . 1 . . . . . 59 LEU CA . 53092 1 120 . 1 . 1 59 59 LEU N N 15 121.116 0.3 . 1 . . . . . 59 LEU N . 53092 1 121 . 1 . 1 60 60 MET H H 1 7.728 0.020 . 1 . . . . . 60 MET H . 53092 1 122 . 1 . 1 60 60 MET CA C 13 59.152 0.3 . 1 . . . . . 60 MET CA . 53092 1 123 . 1 . 1 60 60 MET N N 15 120.342 0.3 . 1 . . . . . 60 MET N . 53092 1 124 . 1 . 1 61 61 GLU H H 1 8.447 0.020 . 1 . . . . . 61 GLU H . 53092 1 125 . 1 . 1 61 61 GLU CA C 13 59.284 0.3 . 1 . . . . . 61 GLU CA . 53092 1 126 . 1 . 1 61 61 GLU N N 15 118.056 0.3 . 1 . . . . . 61 GLU N . 53092 1 127 . 1 . 1 62 62 ALA H H 1 7.402 0.020 . 1 . . . . . 62 ALA H . 53092 1 128 . 1 . 1 62 62 ALA CA C 13 55.143 0.3 . 1 . . . . . 62 ALA CA . 53092 1 129 . 1 . 1 62 62 ALA N N 15 121.602 0.3 . 1 . . . . . 62 ALA N . 53092 1 130 . 1 . 1 63 63 PHE H H 1 8.476 0.020 . 1 . . . . . 63 PHE H . 53092 1 131 . 1 . 1 63 63 PHE CA C 13 62.698 0.3 . 1 . . . . . 63 PHE CA . 53092 1 132 . 1 . 1 63 63 PHE N N 15 119.465 0.3 . 1 . . . . . 63 PHE N . 53092 1 133 . 1 . 1 64 64 ALA H H 1 8.312 0.020 . 1 . . . . . 64 ALA H . 53092 1 134 . 1 . 1 64 64 ALA CA C 13 56.016 0.3 . 1 . . . . . 64 ALA CA . 53092 1 135 . 1 . 1 64 64 ALA N N 15 121.395 0.3 . 1 . . . . . 64 ALA N . 53092 1 136 . 1 . 1 65 65 LYS H H 1 8.309 0.020 . 1 . . . . . 65 LYS H . 53092 1 137 . 1 . 1 65 65 LYS CA C 13 59.164 0.3 . 1 . . . . . 65 LYS CA . 53092 1 138 . 1 . 1 65 65 LYS N N 15 117.806 0.3 . 1 . . . . . 65 LYS N . 53092 1 139 . 1 . 1 66 66 ARG H H 1 7.694 0.020 . 1 . . . . . 66 ARG H . 53092 1 140 . 1 . 1 66 66 ARG CA C 13 58.278 0.3 . 1 . . . . . 66 ARG CA . 53092 1 141 . 1 . 1 66 66 ARG N N 15 120.507 0.3 . 1 . . . . . 66 ARG N . 53092 1 142 . 1 . 1 67 67 GLN H H 1 7.376 0.020 . 1 . . . . . 67 GLN H . 53092 1 143 . 1 . 1 67 67 GLN CA C 13 54.467 0.3 . 1 . . . . . 67 GLN CA . 53092 1 144 . 1 . 1 67 67 GLN N N 15 114.372 0.3 . 1 . . . . . 67 GLN N . 53092 1 145 . 1 . 1 68 68 GLY H H 1 7.819 0.020 . 1 . . . . . 68 GLY H . 53092 1 146 . 1 . 1 68 68 GLY CA C 13 46.462 0.3 . 1 . . . . . 68 GLY CA . 53092 1 147 . 1 . 1 68 68 GLY N N 15 109.972 0.3 . 1 . . . . . 68 GLY N . 53092 1 148 . 1 . 1 69 69 LYS H H 1 7.878 0.020 . 1 . . . . . 69 LYS H . 53092 1 149 . 1 . 1 69 69 LYS CA C 13 53.576 0.3 . 1 . . . . . 69 LYS CA . 53092 1 150 . 1 . 1 69 69 LYS N N 15 118.887 0.3 . 1 . . . . . 69 LYS N . 53092 1 151 . 1 . 1 70 70 GLU H H 1 8.322 0.020 . 1 . . . . . 70 GLU H . 53092 1 152 . 1 . 1 70 70 GLU CA C 13 55.424 0.3 . 1 . . . . . 70 GLU CA . 53092 1 153 . 1 . 1 70 70 GLU N N 15 119.372 0.3 . 1 . . . . . 70 GLU N . 53092 1 154 . 1 . 1 71 71 MET H H 1 9.165 0.020 . 1 . . . . . 71 MET H . 53092 1 155 . 1 . 1 71 71 MET CA C 13 59.846 0.3 . 1 . . . . . 71 MET CA . 53092 1 156 . 1 . 1 71 71 MET N N 15 125.263 0.3 . 1 . . . . . 71 MET N . 53092 1 157 . 1 . 1 72 72 ASP H H 1 8.341 0.020 . 1 . . . . . 72 ASP H . 53092 1 158 . 1 . 1 72 72 ASP CA C 13 55.605 0.3 . 1 . . . . . 72 ASP CA . 53092 1 159 . 1 . 1 72 72 ASP N N 15 114.882 0.3 . 1 . . . . . 72 ASP N . 53092 1 160 . 1 . 1 73 73 SER H H 1 7.821 0.020 . 1 . . . . . 73 SER H . 53092 1 161 . 1 . 1 73 73 SER CA C 13 59.164 0.3 . 1 . . . . . 73 SER CA . 53092 1 162 . 1 . 1 73 73 SER N N 15 114.389 0.3 . 1 . . . . . 73 SER N . 53092 1 163 . 1 . 1 74 74 LEU H H 1 7.649 0.020 . 1 . . . . . 74 LEU H . 53092 1 164 . 1 . 1 74 74 LEU CA C 13 53.609 0.3 . 1 . . . . . 74 LEU CA . 53092 1 165 . 1 . 1 74 74 LEU N N 15 123.900 0.3 . 1 . . . . . 74 LEU N . 53092 1 166 . 1 . 1 75 75 ARG H H 1 8.666 0.020 . 1 . . . . . 75 ARG H . 53092 1 167 . 1 . 1 75 75 ARG CA C 13 54.236 0.3 . 1 . . . . . 75 ARG CA . 53092 1 168 . 1 . 1 75 75 ARG N N 15 120.313 0.3 . 1 . . . . . 75 ARG N . 53092 1 169 . 1 . 1 76 76 PHE H H 1 8.811 0.020 . 1 . . . . . 76 PHE H . 53092 1 170 . 1 . 1 76 76 PHE CA C 13 56.678 0.3 . 1 . . . . . 76 PHE CA . 53092 1 171 . 1 . 1 76 76 PHE N N 15 123.000 0.3 . 1 . . . . . 76 PHE N . 53092 1 172 . 1 . 1 77 77 LEU H H 1 9.428 0.020 . 1 . . . . . 77 LEU H . 53092 1 173 . 1 . 1 77 77 LEU CA C 13 53.560 0.3 . 1 . . . . . 77 LEU CA . 53092 1 174 . 1 . 1 77 77 LEU N N 15 124.341 0.3 . 1 . . . . . 77 LEU N . 53092 1 175 . 1 . 1 78 78 TYR H H 1 8.973 0.020 . 1 . . . . . 78 TYR H . 53092 1 176 . 1 . 1 78 78 TYR CA C 13 56.067 0.3 . 1 . . . . . 78 TYR CA . 53092 1 177 . 1 . 1 78 78 TYR N N 15 122.003 0.3 . 1 . . . . . 78 TYR N . 53092 1 178 . 1 . 1 79 79 ASP H H 1 8.995 0.020 . 1 . . . . . 79 ASP H . 53092 1 179 . 1 . 1 79 79 ASP CA C 13 54.708 0.3 . 1 . . . . . 79 ASP CA . 53092 1 180 . 1 . 1 79 79 ASP N N 15 130.656 0.3 . 1 . . . . . 79 ASP N . 53092 1 181 . 1 . 1 80 80 GLY H H 1 8.482 0.020 . 1 . . . . . 80 GLY H . 53092 1 182 . 1 . 1 80 80 GLY CA C 13 45.304 0.3 . 1 . . . . . 80 GLY CA . 53092 1 183 . 1 . 1 80 80 GLY N N 15 102.124 0.3 . 1 . . . . . 80 GLY N . 53092 1 184 . 1 . 1 81 81 ILE H H 1 7.899 0.020 . 1 . . . . . 81 ILE H . 53092 1 185 . 1 . 1 81 81 ILE CA C 13 59.501 0.3 . 1 . . . . . 81 ILE CA . 53092 1 186 . 1 . 1 81 81 ILE N N 15 122.894 0.3 . 1 . . . . . 81 ILE N . 53092 1 187 . 1 . 1 82 82 ARG H H 1 8.512 0.020 . 1 . . . . . 82 ARG H . 53092 1 188 . 1 . 1 82 82 ARG CA C 13 56.744 0.3 . 1 . . . . . 82 ARG CA . 53092 1 189 . 1 . 1 82 82 ARG N N 15 127.666 0.3 . 1 . . . . . 82 ARG N . 53092 1 190 . 1 . 1 83 83 ILE H H 1 8.554 0.020 . 1 . . . . . 83 ILE H . 53092 1 191 . 1 . 1 83 83 ILE CA C 13 61.265 0.3 . 1 . . . . . 83 ILE CA . 53092 1 192 . 1 . 1 83 83 ILE N N 15 126.440 0.3 . 1 . . . . . 83 ILE N . 53092 1 193 . 1 . 1 84 84 GLN H H 1 8.375 0.020 . 1 . . . . . 84 GLN H . 53092 1 194 . 1 . 1 84 84 GLN CA C 13 54.005 0.3 . 1 . . . . . 84 GLN CA . 53092 1 195 . 1 . 1 84 84 GLN N N 15 123.054 0.3 . 1 . . . . . 84 GLN N . 53092 1 196 . 1 . 1 85 85 ALA H H 1 8.427 0.020 . 1 . . . . . 85 ALA H . 53092 1 197 . 1 . 1 85 85 ALA CA C 13 54.708 0.3 . 1 . . . . . 85 ALA CA . 53092 1 198 . 1 . 1 85 85 ALA N N 15 122.946 0.3 . 1 . . . . . 85 ALA N . 53092 1 199 . 1 . 1 86 86 ASP H H 1 7.894 0.020 . 1 . . . . . 86 ASP H . 53092 1 200 . 1 . 1 86 86 ASP CA C 13 54.244 0.3 . 1 . . . . . 86 ASP CA . 53092 1 201 . 1 . 1 86 86 ASP N N 15 111.050 0.3 . 1 . . . . . 86 ASP N . 53092 1 202 . 1 . 1 87 87 GLN H H 1 7.616 0.020 . 1 . . . . . 87 GLN H . 53092 1 203 . 1 . 1 87 87 GLN CA C 13 56.232 0.3 . 1 . . . . . 87 GLN CA . 53092 1 204 . 1 . 1 87 87 GLN N N 15 119.629 0.3 . 1 . . . . . 87 GLN N . 53092 1 205 . 1 . 1 88 88 THR H H 1 8.802 0.020 . 1 . . . . . 88 THR H . 53092 1 206 . 1 . 1 88 88 THR CA C 13 58.492 0.3 . 1 . . . . . 88 THR CA . 53092 1 207 . 1 . 1 88 88 THR N N 15 112.408 0.3 . 1 . . . . . 88 THR N . 53092 1 208 . 1 . 1 90 90 GLU H H 1 7.992 0.020 . 1 . . . . . 90 GLU H . 53092 1 209 . 1 . 1 90 90 GLU CA C 13 58.904 0.3 . 1 . . . . . 90 GLU CA . 53092 1 210 . 1 . 1 90 90 GLU N N 15 116.639 0.3 . 1 . . . . . 90 GLU N . 53092 1 211 . 1 . 1 91 91 ASP H H 1 7.918 0.020 . 1 . . . . . 91 ASP H . 53092 1 212 . 1 . 1 91 91 ASP CA C 13 57.477 0.3 . 1 . . . . . 91 ASP CA . 53092 1 213 . 1 . 1 91 91 ASP N N 15 121.607 0.3 . 1 . . . . . 91 ASP N . 53092 1 214 . 1 . 1 92 92 LEU H H 1 6.940 0.020 . 1 . . . . . 92 LEU H . 53092 1 215 . 1 . 1 92 92 LEU CA C 13 54.026 0.3 . 1 . . . . . 92 LEU CA . 53092 1 216 . 1 . 1 92 92 LEU N N 15 117.532 0.3 . 1 . . . . . 92 LEU N . 53092 1 217 . 1 . 1 93 93 ASP H H 1 7.764 0.020 . 1 . . . . . 93 ASP H . 53092 1 218 . 1 . 1 93 93 ASP CA C 13 55.259 0.3 . 1 . . . . . 93 ASP CA . 53092 1 219 . 1 . 1 93 93 ASP N N 15 118.446 0.3 . 1 . . . . . 93 ASP N . 53092 1 220 . 1 . 1 94 94 MET H H 1 7.421 0.020 . 1 . . . . . 94 MET H . 53092 1 221 . 1 . 1 94 94 MET CA C 13 57.354 0.3 . 1 . . . . . 94 MET CA . 53092 1 222 . 1 . 1 94 94 MET N N 15 115.472 0.3 . 1 . . . . . 94 MET N . 53092 1 223 . 1 . 1 95 95 GLU H H 1 8.727 0.020 . 1 . . . . . 95 GLU H . 53092 1 224 . 1 . 1 95 95 GLU CA C 13 53.824 0.3 . 1 . . . . . 95 GLU CA . 53092 1 225 . 1 . 1 95 95 GLU N N 15 120.989 0.3 . 1 . . . . . 95 GLU N . 53092 1 226 . 1 . 1 96 96 ASP H H 1 8.339 0.020 . 1 . . . . . 96 ASP H . 53092 1 227 . 1 . 1 96 96 ASP CA C 13 56.506 0.3 . 1 . . . . . 96 ASP CA . 53092 1 228 . 1 . 1 96 96 ASP N N 15 118.837 0.3 . 1 . . . . . 96 ASP N . 53092 1 229 . 1 . 1 97 97 ASN H H 1 9.634 0.020 . 1 . . . . . 97 ASN H . 53092 1 230 . 1 . 1 97 97 ASN CA C 13 55.457 0.3 . 1 . . . . . 97 ASN CA . 53092 1 231 . 1 . 1 97 97 ASN N N 15 118.254 0.3 . 1 . . . . . 97 ASN N . 53092 1 232 . 1 . 1 98 98 ASP H H 1 7.915 0.020 . 1 . . . . . 98 ASP H . 53092 1 233 . 1 . 1 98 98 ASP CA C 13 55.374 0.3 . 1 . . . . . 98 ASP CA . 53092 1 234 . 1 . 1 98 98 ASP N N 15 121.324 0.3 . 1 . . . . . 98 ASP N . 53092 1 235 . 1 . 1 99 99 ILE H H 1 8.057 0.020 . 1 . . . . . 99 ILE H . 53092 1 236 . 1 . 1 99 99 ILE CA C 13 59.831 0.3 . 1 . . . . . 99 ILE CA . 53092 1 237 . 1 . 1 99 99 ILE N N 15 116.703 0.3 . 1 . . . . . 99 ILE N . 53092 1 238 . 1 . 1 100 100 ILE H H 1 9.092 0.020 . 1 . . . . . 100 ILE H . 53092 1 239 . 1 . 1 100 100 ILE CA C 13 59.812 0.3 . 1 . . . . . 100 ILE CA . 53092 1 240 . 1 . 1 100 100 ILE N N 15 127.881 0.3 . 1 . . . . . 100 ILE N . 53092 1 241 . 1 . 1 101 101 GLU H H 1 8.934 0.020 . 1 . . . . . 101 GLU H . 53092 1 242 . 1 . 1 101 101 GLU CA C 13 54.749 0.3 . 1 . . . . . 101 GLU CA . 53092 1 243 . 1 . 1 101 101 GLU N N 15 126.400 0.3 . 1 . . . . . 101 GLU N . 53092 1 244 . 1 . 1 102 102 ALA H H 1 8.297 0.020 . 1 . . . . . 102 ALA H . 53092 1 245 . 1 . 1 102 102 ALA CA C 13 49.777 0.3 . 1 . . . . . 102 ALA CA . 53092 1 246 . 1 . 1 102 102 ALA N N 15 126.508 0.3 . 1 . . . . . 102 ALA N . 53092 1 247 . 1 . 1 103 103 HIS H H 1 8.680 0.020 . 1 . . . . . 103 HIS H . 53092 1 248 . 1 . 1 103 103 HIS CA C 13 54.281 0.3 . 1 . . . . . 103 HIS CA . 53092 1 249 . 1 . 1 103 103 HIS N N 15 121.310 0.3 . 1 . . . . . 103 HIS N . 53092 1 250 . 1 . 1 104 104 ARG H H 1 8.623 0.020 . 1 . . . . . 104 ARG H . 53092 1 251 . 1 . 1 104 104 ARG CA C 13 56.471 0.3 . 1 . . . . . 104 ARG CA . 53092 1 252 . 1 . 1 104 104 ARG N N 15 122.516 0.3 . 1 . . . . . 104 ARG N . 53092 1 253 . 1 . 1 105 105 GLU H H 1 8.264 0.020 . 1 . . . . . 105 GLU H . 53092 1 254 . 1 . 1 105 105 GLU CA C 13 56.249 0.3 . 1 . . . . . 105 GLU CA . 53092 1 255 . 1 . 1 105 105 GLU N N 15 125.022 0.3 . 1 . . . . . 105 GLU N . 53092 1 256 . 1 . 1 106 106 GLN H H 1 8.525 0.020 . 1 . . . . . 106 GLN H . 53092 1 257 . 1 . 1 106 106 GLN CA C 13 55.556 0.3 . 1 . . . . . 106 GLN CA . 53092 1 258 . 1 . 1 106 106 GLN N N 15 123.870 0.3 . 1 . . . . . 106 GLN N . 53092 1 259 . 1 . 1 107 107 ILE H H 1 8.197 0.020 . 1 . . . . . 107 ILE H . 53092 1 260 . 1 . 1 107 107 ILE CA C 13 61.265 0.3 . 1 . . . . . 107 ILE CA . 53092 1 261 . 1 . 1 107 107 ILE N N 15 123.738 0.3 . 1 . . . . . 107 ILE N . 53092 1 262 . 1 . 1 108 108 GLY H H 1 8.382 0.020 . 1 . . . . . 108 GLY H . 53092 1 263 . 1 . 1 108 108 GLY CA C 13 45.147 0.3 . 1 . . . . . 108 GLY CA . 53092 1 264 . 1 . 1 108 108 GLY N N 15 113.466 0.3 . 1 . . . . . 108 GLY N . 53092 1 265 . 1 . 1 109 109 GLY H H 1 8.168 0.020 . 1 . . . . . 109 GLY H . 53092 1 266 . 1 . 1 109 109 GLY CA C 13 45.372 0.3 . 1 . . . . . 109 GLY CA . 53092 1 267 . 1 . 1 109 109 GLY N N 15 109.570 0.3 . 1 . . . . . 109 GLY N . 53092 1 268 . 1 . 1 110 110 CYS H H 1 7.953 0.020 . 1 . . . . . 110 CYS H . 53092 1 269 . 1 . 1 110 110 CYS CA C 13 57.160 0.3 . 1 . . . . . 110 CYS CA . 53092 1 270 . 1 . 1 110 110 CYS N N 15 124.559 0.3 . 1 . . . . . 110 CYS N . 53092 1 stop_ save_