################################### # 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 51502 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assign_chem_shift_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 $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' . . . 51502 1 2 '3D HNCA' . . . 51502 1 3 '3D HN(CO)CA' . . . 51502 1 4 '3D HNCACB' . . . 51502 1 5 '3D CBCA(CO)NH' . . . 51502 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 . . 51502 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 GLU H H 1 8.686 0.020 . 1 . . . . . 2 GLU H . 51502 1 2 . 1 . 1 2 2 GLU CA C 13 52.331 0.3 . 1 . . . . . 2 GLU CA . 51502 1 3 . 1 . 1 2 2 GLU N N 15 120.258 0.3 . 1 . . . . . 2 GLU N . 51502 1 4 . 1 . 1 3 3 LYS H H 1 9.369 0.020 . 1 . . . . . 3 LYS H . 51502 1 5 . 1 . 1 3 3 LYS CA C 13 52.560 0.3 . 1 . . . . . 3 LYS CA . 51502 1 6 . 1 . 1 3 3 LYS N N 15 118.426 0.3 . 1 . . . . . 3 LYS N . 51502 1 7 . 1 . 1 4 4 ARG H H 1 8.726 0.020 . 1 . . . . . 4 ARG H . 51502 1 8 . 1 . 1 4 4 ARG CA C 13 52.560 0.3 . 1 . . . . . 4 ARG CA . 51502 1 9 . 1 . 1 4 4 ARG N N 15 118.536 0.3 . 1 . . . . . 4 ARG N . 51502 1 10 . 1 . 1 5 5 THR H H 1 7.088 0.020 . 1 . . . . . 5 THR H . 51502 1 11 . 1 . 1 5 5 THR CA C 13 54.974 0.3 . 1 . . . . . 5 THR CA . 51502 1 12 . 1 . 1 5 5 THR N N 15 112.294 0.3 . 1 . . . . . 5 THR N . 51502 1 13 . 1 . 1 7 7 HIS H H 1 11.126 0.020 . 1 . . . . . 7 HIS H . 51502 1 14 . 1 . 1 7 7 HIS CA C 13 57.130 0.3 . 1 . . . . . 7 HIS CA . 51502 1 15 . 1 . 1 7 7 HIS N N 15 128.809 0.3 . 1 . . . . . 7 HIS N . 51502 1 16 . 1 . 1 8 8 THR H H 1 7.622 0.020 . 1 . . . . . 8 THR H . 51502 1 17 . 1 . 1 8 8 THR CA C 13 58.250 0.3 . 1 . . . . . 8 THR CA . 51502 1 18 . 1 . 1 8 8 THR N N 15 113.776 0.3 . 1 . . . . . 8 THR N . 51502 1 19 . 1 . 1 9 9 ARG H H 1 8.535 0.020 . 1 . . . . . 9 ARG H . 51502 1 20 . 1 . 1 9 9 ARG CA C 13 54.285 0.3 . 1 . . . . . 9 ARG CA . 51502 1 21 . 1 . 1 9 9 ARG N N 15 126.257 0.3 . 1 . . . . . 9 ARG N . 51502 1 22 . 1 . 1 10 10 LEU H H 1 9.150 0.020 . 1 . . . . . 10 LEU H . 51502 1 23 . 1 . 1 10 10 LEU CA C 13 55.176 0.3 . 1 . . . . . 10 LEU CA . 51502 1 24 . 1 . 1 10 10 LEU N N 15 127.210 0.3 . 1 . . . . . 10 LEU N . 51502 1 25 . 1 . 1 11 11 SER H H 1 8.553 0.020 . 1 . . . . . 11 SER H . 51502 1 26 . 1 . 1 11 11 SER CA C 13 58.279 0.3 . 1 . . . . . 11 SER CA . 51502 1 27 . 1 . 1 11 11 SER N N 15 112.171 0.3 . 1 . . . . . 11 SER N . 51502 1 28 . 1 . 1 12 12 GLN H H 1 7.103 0.020 . 1 . . . . . 12 GLN H . 51502 1 29 . 1 . 1 12 12 GLN CA C 13 54.946 0.3 . 1 . . . . . 12 GLN CA . 51502 1 30 . 1 . 1 12 12 GLN N N 15 123.327 0.3 . 1 . . . . . 12 GLN N . 51502 1 31 . 1 . 1 13 13 VAL H H 1 7.434 0.020 . 1 . . . . . 13 VAL H . 51502 1 32 . 1 . 1 13 13 VAL CA C 13 64.372 0.3 . 1 . . . . . 13 VAL CA . 51502 1 33 . 1 . 1 13 13 VAL N N 15 120.602 0.3 . 1 . . . . . 13 VAL N . 51502 1 34 . 1 . 1 14 14 LYS H H 1 8.299 0.020 . 1 . . . . . 14 LYS H . 51502 1 35 . 1 . 1 14 14 LYS CA C 13 58.480 0.3 . 1 . . . . . 14 LYS CA . 51502 1 36 . 1 . 1 14 14 LYS N N 15 115.580 0.3 . 1 . . . . . 14 LYS N . 51502 1 37 . 1 . 1 15 15 LYS H H 1 7.420 0.020 . 1 . . . . . 15 LYS H . 51502 1 38 . 1 . 1 15 15 LYS CA C 13 57.130 0.3 . 1 . . . . . 15 LYS CA . 51502 1 39 . 1 . 1 15 15 LYS N N 15 119.331 0.3 . 1 . . . . . 15 LYS N . 51502 1 40 . 1 . 1 16 16 LEU H H 1 7.712 0.020 . 1 . . . . . 16 LEU H . 51502 1 41 . 1 . 1 16 16 LEU CA C 13 55.607 0.3 . 1 . . . . . 16 LEU CA . 51502 1 42 . 1 . 1 16 16 LEU N N 15 120.058 0.3 . 1 . . . . . 16 LEU N . 51502 1 43 . 1 . 1 17 17 VAL H H 1 8.177 0.020 . 1 . . . . . 17 VAL H . 51502 1 44 . 1 . 1 17 17 VAL CA C 13 64.601 0.3 . 1 . . . . . 17 VAL CA . 51502 1 45 . 1 . 1 17 17 VAL N N 15 119.800 0.3 . 1 . . . . . 17 VAL N . 51502 1 46 . 1 . 1 18 18 ASN H H 1 8.755 0.020 . 1 . . . . . 18 ASN H . 51502 1 47 . 1 . 1 18 18 ASN CA C 13 53.193 0.3 . 1 . . . . . 18 ASN CA . 51502 1 48 . 1 . 1 18 18 ASN N N 15 119.910 0.3 . 1 . . . . . 18 ASN N . 51502 1 49 . 1 . 1 19 19 ALA H H 1 7.401 0.020 . 1 . . . . . 19 ALA H . 51502 1 50 . 1 . 1 19 19 ALA CA C 13 49.256 0.3 . 1 . . . . . 19 ALA CA . 51502 1 51 . 1 . 1 19 19 ALA N N 15 119.651 0.3 . 1 . . . . . 19 ALA N . 51502 1 52 . 1 . 1 20 20 GLY H H 1 8.073 0.020 . 1 . . . . . 20 GLY H . 51502 1 53 . 1 . 1 20 20 GLY CA C 13 42.675 0.3 . 1 . . . . . 20 GLY CA . 51502 1 54 . 1 . 1 20 20 GLY N N 15 107.682 0.3 . 1 . . . . . 20 GLY N . 51502 1 55 . 1 . 1 21 21 GLN H H 1 8.353 0.020 . 1 . . . . . 21 GLN H . 51502 1 56 . 1 . 1 21 21 GLN CA C 13 51.440 0.3 . 1 . . . . . 21 GLN CA . 51502 1 57 . 1 . 1 21 21 GLN N N 15 123.751 0.3 . 1 . . . . . 21 GLN N . 51502 1 58 . 1 . 1 22 22 VAL H H 1 7.412 0.020 . 1 . . . . . 22 VAL H . 51502 1 59 . 1 . 1 22 22 VAL CA C 13 55.750 0.3 . 1 . . . . . 22 VAL CA . 51502 1 60 . 1 . 1 22 22 VAL N N 15 118.705 0.3 . 1 . . . . . 22 VAL N . 51502 1 61 . 1 . 1 23 23 ARG H H 1 9.156 0.020 . 1 . . . . . 23 ARG H . 51502 1 62 . 1 . 1 23 23 ARG CA C 13 51.670 0.3 . 1 . . . . . 23 ARG CA . 51502 1 63 . 1 . 1 23 23 ARG N N 15 125.103 0.3 . 1 . . . . . 23 ARG N . 51502 1 64 . 1 . 1 24 24 THR H H 1 9.016 0.020 . 1 . . . . . 24 THR H . 51502 1 65 . 1 . 1 24 24 THR CA C 13 56.526 0.3 . 1 . . . . . 24 THR CA . 51502 1 66 . 1 . 1 24 24 THR N N 15 113.466 0.3 . 1 . . . . . 24 THR N . 51502 1 67 . 1 . 1 25 25 THR H H 1 8.319 0.020 . 1 . . . . . 25 THR H . 51502 1 68 . 1 . 1 25 25 THR CA C 13 58.021 0.3 . 1 . . . . . 25 THR CA . 51502 1 69 . 1 . 1 25 25 THR N N 15 116.417 0.3 . 1 . . . . . 25 THR N . 51502 1 70 . 1 . 1 26 26 ARG H H 1 8.826 0.020 . 1 . . . . . 26 ARG H . 51502 1 71 . 1 . 1 26 26 ARG CA C 13 57.762 0.3 . 1 . . . . . 26 ARG CA . 51502 1 72 . 1 . 1 26 26 ARG N N 15 127.818 0.3 . 1 . . . . . 26 ARG N . 51502 1 73 . 1 . 1 27 27 SER H H 1 8.649 0.020 . 1 . . . . . 27 SER H . 51502 1 74 . 1 . 1 27 27 SER CA C 13 58.653 0.3 . 1 . . . . . 27 SER CA . 51502 1 75 . 1 . 1 27 27 SER N N 15 112.688 0.3 . 1 . . . . . 27 SER N . 51502 1 76 . 1 . 1 28 28 ALA H H 1 7.629 0.020 . 1 . . . . . 28 ALA H . 51502 1 77 . 1 . 1 28 28 ALA CA C 13 52.762 0.3 . 1 . . . . . 28 ALA CA . 51502 1 78 . 1 . 1 28 28 ALA N N 15 124.737 0.3 . 1 . . . . . 28 ALA N . 51502 1 79 . 1 . 1 29 29 LEU H H 1 7.401 0.020 . 1 . . . . . 29 LEU H . 51502 1 80 . 1 . 1 29 29 LEU CA C 13 54.967 0.3 . 1 . . . . . 29 LEU CA . 51502 1 81 . 1 . 1 29 29 LEU N N 15 118.579 0.3 . 1 . . . . . 29 LEU N . 51502 1 82 . 1 . 1 30 30 LEU H H 1 8.246 0.020 . 1 . . . . . 30 LEU H . 51502 1 83 . 1 . 1 30 30 LEU CA C 13 55.132 0.3 . 1 . . . . . 30 LEU CA . 51502 1 84 . 1 . 1 30 30 LEU N N 15 118.444 0.3 . 1 . . . . . 30 LEU N . 51502 1 85 . 1 . 1 31 31 ASN H H 1 8.329 0.020 . 1 . . . . . 31 ASN H . 51502 1 86 . 1 . 1 31 31 ASN CA C 13 53.854 0.3 . 1 . . . . . 31 ASN CA . 51502 1 87 . 1 . 1 31 31 ASN N N 15 120.668 0.3 . 1 . . . . . 31 ASN N . 51502 1 88 . 1 . 1 32 32 ALA H H 1 9.006 0.020 . 1 . . . . . 32 ALA H . 51502 1 89 . 1 . 1 32 32 ALA CA C 13 52.991 0.3 . 1 . . . . . 32 ALA CA . 51502 1 90 . 1 . 1 32 32 ALA N N 15 124.745 0.3 . 1 . . . . . 32 ALA N . 51502 1 91 . 1 . 1 33 33 ASP H H 1 8.053 0.020 . 1 . . . . . 33 ASP H . 51502 1 92 . 1 . 1 33 33 ASP CA C 13 54.967 0.3 . 1 . . . . . 33 ASP CA . 51502 1 93 . 1 . 1 33 33 ASP N N 15 119.847 0.3 . 1 . . . . . 33 ASP N . 51502 1 94 . 1 . 1 34 34 GLU H H 1 7.613 0.020 . 1 . . . . . 34 GLU H . 51502 1 95 . 1 . 1 34 34 GLU CA C 13 56.526 0.3 . 1 . . . . . 34 GLU CA . 51502 1 96 . 1 . 1 34 34 GLU N N 15 120.058 0.3 . 1 . . . . . 34 GLU N . 51502 1 97 . 1 . 1 35 35 LEU H H 1 7.335 0.020 . 1 . . . . . 35 LEU H . 51502 1 98 . 1 . 1 35 35 LEU CA C 13 51.555 0.3 . 1 . . . . . 35 LEU CA . 51502 1 99 . 1 . 1 35 35 LEU N N 15 117.899 0.3 . 1 . . . . . 35 LEU N . 51502 1 100 . 1 . 1 36 36 GLY H H 1 7.889 0.020 . 1 . . . . . 36 GLY H . 51502 1 101 . 1 . 1 36 36 GLY CA C 13 42.703 0.3 . 1 . . . . . 36 GLY CA . 51502 1 102 . 1 . 1 36 36 GLY N N 15 107.298 0.3 . 1 . . . . . 36 GLY N . 51502 1 103 . 1 . 1 37 37 LEU H H 1 7.972 0.020 . 1 . . . . . 37 LEU H . 51502 1 104 . 1 . 1 37 37 LEU CA C 13 51.066 0.3 . 1 . . . . . 37 LEU CA . 51502 1 105 . 1 . 1 37 37 LEU N N 15 121.845 0.3 . 1 . . . . . 37 LEU N . 51502 1 106 . 1 . 1 38 38 ASP H H 1 7.390 0.020 . 1 . . . . . 38 ASP H . 51502 1 107 . 1 . 1 38 38 ASP CA C 13 47.962 0.3 . 1 . . . . . 38 ASP CA . 51502 1 108 . 1 . 1 38 38 ASP N N 15 119.430 0.3 . 1 . . . . . 38 ASP N . 51502 1 109 . 1 . 1 39 39 PHE H H 1 8.589 0.020 . 1 . . . . . 39 PHE H . 51502 1 110 . 1 . 1 39 39 PHE CA C 13 60.233 0.3 . 1 . . . . . 39 PHE CA . 51502 1 111 . 1 . 1 39 39 PHE N N 15 121.078 0.3 . 1 . . . . . 39 PHE N . 51502 1 112 . 1 . 1 40 40 ASP H H 1 8.686 0.020 . 1 . . . . . 40 ASP H . 51502 1 113 . 1 . 1 40 40 ASP CA C 13 54.974 0.3 . 1 . . . . . 40 ASP CA . 51502 1 114 . 1 . 1 40 40 ASP N N 15 120.576 0.3 . 1 . . . . . 40 ASP N . 51502 1 115 . 1 . 1 41 41 GLY H H 1 8.626 0.020 . 1 . . . . . 41 GLY H . 51502 1 116 . 1 . 1 41 41 GLY CA C 13 44.658 0.3 . 1 . . . . . 41 GLY CA . 51502 1 117 . 1 . 1 41 41 GLY N N 15 110.559 0.3 . 1 . . . . . 41 GLY N . 51502 1 118 . 1 . 1 42 42 MET H H 1 8.372 0.020 . 1 . . . . . 42 MET H . 51502 1 119 . 1 . 1 42 42 MET CA C 13 57.791 0.3 . 1 . . . . . 42 MET CA . 51502 1 120 . 1 . 1 42 42 MET N N 15 122.767 0.3 . 1 . . . . . 42 MET N . 51502 1 121 . 1 . 1 43 43 CYS H H 1 7.598 0.020 . 1 . . . . . 43 CYS H . 51502 1 122 . 1 . 1 43 43 CYS CA C 13 61.986 0.3 . 1 . . . . . 43 CYS CA . 51502 1 123 . 1 . 1 43 43 CYS N N 15 116.531 0.3 . 1 . . . . . 43 CYS N . 51502 1 124 . 1 . 1 44 44 ASN H H 1 8.295 0.020 . 1 . . . . . 44 ASN H . 51502 1 125 . 1 . 1 44 44 ASN CA C 13 53.221 0.3 . 1 . . . . . 44 ASN CA . 51502 1 126 . 1 . 1 44 44 ASN N N 15 118.071 0.3 . 1 . . . . . 44 ASN N . 51502 1 127 . 1 . 1 45 45 VAL H H 1 7.678 0.020 . 1 . . . . . 45 VAL H . 51502 1 128 . 1 . 1 45 45 VAL CA C 13 63.509 0.3 . 1 . . . . . 45 VAL CA . 51502 1 129 . 1 . 1 45 45 VAL N N 15 121.910 0.3 . 1 . . . . . 45 VAL N . 51502 1 130 . 1 . 1 46 46 ILE H H 1 7.286 0.020 . 1 . . . . . 46 ILE H . 51502 1 131 . 1 . 1 46 46 ILE CA C 13 61.986 0.3 . 1 . . . . . 46 ILE CA . 51502 1 132 . 1 . 1 46 46 ILE N N 15 118.904 0.3 . 1 . . . . . 46 ILE N . 51502 1 133 . 1 . 1 47 47 ILE H H 1 8.048 0.020 . 1 . . . . . 47 ILE H . 51502 1 134 . 1 . 1 47 47 ILE CA C 13 60.205 0.3 . 1 . . . . . 47 ILE CA . 51502 1 135 . 1 . 1 47 47 ILE N N 15 117.257 0.3 . 1 . . . . . 47 ILE N . 51502 1 136 . 1 . 1 48 48 GLY H H 1 7.549 0.020 . 1 . . . . . 48 GLY H . 51502 1 137 . 1 . 1 48 48 GLY CA C 13 42.071 0.3 . 1 . . . . . 48 GLY CA . 51502 1 138 . 1 . 1 48 48 GLY N N 15 106.784 0.3 . 1 . . . . . 48 GLY N . 51502 1 139 . 1 . 1 49 49 LEU H H 1 7.291 0.020 . 1 . . . . . 49 LEU H . 51502 1 140 . 1 . 1 49 49 LEU CA C 13 52.991 0.3 . 1 . . . . . 49 LEU CA . 51502 1 141 . 1 . 1 49 49 LEU N N 15 120.691 0.3 . 1 . . . . . 49 LEU N . 51502 1 142 . 1 . 1 50 50 SER H H 1 8.951 0.020 . 1 . . . . . 50 SER H . 51502 1 143 . 1 . 1 50 50 SER CA C 13 53.193 0.3 . 1 . . . . . 50 SER CA . 51502 1 144 . 1 . 1 50 50 SER N N 15 115.709 0.3 . 1 . . . . . 50 SER N . 51502 1 145 . 1 . 1 51 51 GLU H H 1 9.302 0.020 . 1 . . . . . 51 GLU H . 51502 1 146 . 1 . 1 51 51 GLU CA C 13 58.021 0.3 . 1 . . . . . 51 GLU CA . 51502 1 147 . 1 . 1 51 51 GLU N N 15 124.430 0.3 . 1 . . . . . 51 GLU N . 51502 1 148 . 1 . 1 52 52 SER H H 1 8.100 0.020 . 1 . . . . . 52 SER H . 51502 1 149 . 1 . 1 52 52 SER CA C 13 57.561 0.3 . 1 . . . . . 52 SER CA . 51502 1 150 . 1 . 1 52 52 SER N N 15 112.357 0.3 . 1 . . . . . 52 SER N . 51502 1 151 . 1 . 1 53 53 ASP H H 1 8.035 0.020 . 1 . . . . . 53 ASP H . 51502 1 152 . 1 . 1 53 53 ASP CA C 13 52.733 0.3 . 1 . . . . . 53 ASP CA . 51502 1 153 . 1 . 1 53 53 ASP N N 15 118.748 0.3 . 1 . . . . . 53 ASP N . 51502 1 154 . 1 . 1 54 54 PHE H H 1 7.740 0.020 . 1 . . . . . 54 PHE H . 51502 1 155 . 1 . 1 54 54 PHE CA C 13 57.158 0.3 . 1 . . . . . 54 PHE CA . 51502 1 156 . 1 . 1 54 54 PHE N N 15 121.524 0.3 . 1 . . . . . 54 PHE N . 51502 1 157 . 1 . 1 55 55 TYR H H 1 8.255 0.020 . 1 . . . . . 55 TYR H . 51502 1 158 . 1 . 1 55 55 TYR CA C 13 53.193 0.3 . 1 . . . . . 55 TYR CA . 51502 1 159 . 1 . 1 55 55 TYR N N 15 128.821 0.3 . 1 . . . . . 55 TYR N . 51502 1 160 . 1 . 1 56 56 LYS H H 1 6.551 0.020 . 1 . . . . . 56 LYS H . 51502 1 161 . 1 . 1 56 56 LYS CA C 13 53.193 0.3 . 1 . . . . . 56 LYS CA . 51502 1 162 . 1 . 1 56 56 LYS N N 15 111.502 0.3 . 1 . . . . . 56 LYS N . 51502 1 163 . 1 . 1 57 57 SER H H 1 8.526 0.020 . 1 . . . . . 57 SER H . 51502 1 164 . 1 . 1 57 57 SER CA C 13 54.083 0.3 . 1 . . . . . 57 SER CA . 51502 1 165 . 1 . 1 57 57 SER N N 15 115.376 0.3 . 1 . . . . . 57 SER N . 51502 1 166 . 1 . 1 58 58 MET H H 1 9.448 0.020 . 1 . . . . . 58 MET H . 51502 1 167 . 1 . 1 58 58 MET CA C 13 51.670 0.3 . 1 . . . . . 58 MET CA . 51502 1 168 . 1 . 1 58 58 MET N N 15 122.787 0.3 . 1 . . . . . 58 MET N . 51502 1 169 . 1 . 1 59 59 THR H H 1 8.081 0.020 . 1 . . . . . 59 THR H . 51502 1 170 . 1 . 1 59 59 THR CA C 13 57.360 0.3 . 1 . . . . . 59 THR CA . 51502 1 171 . 1 . 1 59 59 THR N N 15 113.690 0.3 . 1 . . . . . 59 THR N . 51502 1 172 . 1 . 1 60 60 THR H H 1 7.976 0.020 . 1 . . . . . 60 THR H . 51502 1 173 . 1 . 1 60 60 THR CA C 13 58.480 0.3 . 1 . . . . . 60 THR CA . 51502 1 174 . 1 . 1 60 60 THR N N 15 112.673 0.3 . 1 . . . . . 60 THR N . 51502 1 175 . 1 . 1 67 67 TRP H H 1 8.334 0.020 . 1 . . . . . 67 TRP H . 51502 1 176 . 1 . 1 67 67 TRP CA C 13 53.767 0.3 . 1 . . . . . 67 TRP CA . 51502 1 177 . 1 . 1 67 67 TRP N N 15 127.589 0.3 . 1 . . . . . 67 TRP N . 51502 1 178 . 1 . 1 68 68 GLN H H 1 9.621 0.020 . 1 . . . . . 68 GLN H . 51502 1 179 . 1 . 1 68 68 GLN CA C 13 51.267 0.3 . 1 . . . . . 68 GLN CA . 51502 1 180 . 1 . 1 68 68 GLN N N 15 123.166 0.3 . 1 . . . . . 68 GLN N . 51502 1 181 . 1 . 1 69 69 ASP H H 1 9.238 0.020 . 1 . . . . . 69 ASP H . 51502 1 182 . 1 . 1 69 69 ASP CA C 13 52.014 0.3 . 1 . . . . . 69 ASP CA . 51502 1 183 . 1 . 1 69 69 ASP N N 15 124.033 0.3 . 1 . . . . . 69 ASP N . 51502 1 184 . 1 . 1 70 70 VAL H H 1 9.089 0.020 . 1 . . . . . 70 VAL H . 51502 1 185 . 1 . 1 70 70 VAL CA C 13 58.452 0.3 . 1 . . . . . 70 VAL CA . 51502 1 186 . 1 . 1 70 70 VAL N N 15 122.091 0.3 . 1 . . . . . 70 VAL N . 51502 1 187 . 1 . 1 71 71 TYR H H 1 9.466 0.020 . 1 . . . . . 71 TYR H . 51502 1 188 . 1 . 1 71 71 TYR CA C 13 53.652 0.3 . 1 . . . . . 71 TYR CA . 51502 1 189 . 1 . 1 71 71 TYR N N 15 125.441 0.3 . 1 . . . . . 71 TYR N . 51502 1 190 . 1 . 1 72 72 ARG H H 1 8.900 0.020 . 1 . . . . . 72 ARG H . 51502 1 191 . 1 . 1 72 72 ARG CA C 13 49.054 0.3 . 1 . . . . . 72 ARG CA . 51502 1 192 . 1 . 1 72 72 ARG N N 15 116.341 0.3 . 1 . . . . . 72 ARG N . 51502 1 193 . 1 . 1 74 74 ARG H H 1 8.715 0.020 . 1 . . . . . 74 ARG H . 51502 1 194 . 1 . 1 74 74 ARG CA C 13 53.308 0.3 . 1 . . . . . 74 ARG CA . 51502 1 195 . 1 . 1 74 74 ARG N N 15 119.770 0.3 . 1 . . . . . 74 ARG N . 51502 1 196 . 1 . 1 75 75 LEU H H 1 7.627 0.020 . 1 . . . . . 75 LEU H . 51502 1 197 . 1 . 1 75 75 LEU CA C 13 50.577 0.3 . 1 . . . . . 75 LEU CA . 51502 1 198 . 1 . 1 75 75 LEU N N 15 125.055 0.3 . 1 . . . . . 75 LEU N . 51502 1 199 . 1 . 1 76 76 VAL H H 1 8.777 0.020 . 1 . . . . . 76 VAL H . 51502 1 200 . 1 . 1 76 76 VAL CA C 13 63.021 0.3 . 1 . . . . . 76 VAL CA . 51502 1 201 . 1 . 1 76 76 VAL N N 15 120.885 0.3 . 1 . . . . . 76 VAL N . 51502 1 202 . 1 . 1 77 77 THR H H 1 7.090 0.020 . 1 . . . . . 77 THR H . 51502 1 203 . 1 . 1 77 77 THR CA C 13 58.710 0.3 . 1 . . . . . 77 THR CA . 51502 1 204 . 1 . 1 77 77 THR N N 15 105.473 0.3 . 1 . . . . . 77 THR N . 51502 1 205 . 1 . 1 78 78 GLY H H 1 7.351 0.020 . 1 . . . . . 78 GLY H . 51502 1 206 . 1 . 1 78 78 GLY CA C 13 41.123 0.3 . 1 . . . . . 78 GLY CA . 51502 1 207 . 1 . 1 78 78 GLY N N 15 109.637 0.3 . 1 . . . . . 78 GLY N . 51502 1 208 . 1 . 1 79 79 GLN H H 1 8.639 0.020 . 1 . . . . . 79 GLN H . 51502 1 209 . 1 . 1 79 79 GLN CA C 13 53.451 0.3 . 1 . . . . . 79 GLN CA . 51502 1 210 . 1 . 1 79 79 GLN N N 15 121.405 0.3 . 1 . . . . . 79 GLN N . 51502 1 211 . 1 . 1 80 80 VAL H H 1 7.947 0.020 . 1 . . . . . 80 VAL H . 51502 1 212 . 1 . 1 80 80 VAL CA C 13 56.929 0.3 . 1 . . . . . 80 VAL CA . 51502 1 213 . 1 . 1 80 80 VAL N N 15 121.374 0.3 . 1 . . . . . 80 VAL N . 51502 1 214 . 1 . 1 81 81 TYR H H 1 8.616 0.020 . 1 . . . . . 81 TYR H . 51502 1 215 . 1 . 1 81 81 TYR CA C 13 54.515 0.3 . 1 . . . . . 81 TYR CA . 51502 1 216 . 1 . 1 81 81 TYR N N 15 120.613 0.3 . 1 . . . . . 81 TYR N . 51502 1 217 . 1 . 1 82 82 LEU H H 1 9.107 0.020 . 1 . . . . . 82 LEU H . 51502 1 218 . 1 . 1 82 82 LEU CA C 13 50.348 0.3 . 1 . . . . . 82 LEU CA . 51502 1 219 . 1 . 1 82 82 LEU N N 15 127.528 0.3 . 1 . . . . . 82 LEU N . 51502 1 220 . 1 . 1 83 83 LYS H H 1 8.474 0.020 . 1 . . . . . 83 LYS H . 51502 1 221 . 1 . 1 83 83 LYS CA C 13 52.101 0.3 . 1 . . . . . 83 LYS CA . 51502 1 222 . 1 . 1 83 83 LYS N N 15 124.430 0.3 . 1 . . . . . 83 LYS N . 51502 1 223 . 1 . 1 84 84 ILE H H 1 9.296 0.020 . 1 . . . . . 84 ILE H . 51502 1 224 . 1 . 1 84 84 ILE CA C 13 56.009 0.3 . 1 . . . . . 84 ILE CA . 51502 1 225 . 1 . 1 84 84 ILE N N 15 118.900 0.3 . 1 . . . . . 84 ILE N . 51502 1 226 . 1 . 1 85 85 THR H H 1 8.997 0.020 . 1 . . . . . 85 THR H . 51502 1 227 . 1 . 1 85 85 THR CA C 13 58.710 0.3 . 1 . . . . . 85 THR CA . 51502 1 228 . 1 . 1 85 85 THR N N 15 118.151 0.3 . 1 . . . . . 85 THR N . 51502 1 229 . 1 . 1 86 86 VAL H H 1 8.888 0.020 . 1 . . . . . 86 VAL H . 51502 1 230 . 1 . 1 86 86 VAL CA C 13 58.554 0.3 . 1 . . . . . 86 VAL CA . 51502 1 231 . 1 . 1 86 86 VAL N N 15 127.868 0.3 . 1 . . . . . 86 VAL N . 51502 1 232 . 1 . 1 87 87 ILE H H 1 8.066 0.020 . 1 . . . . . 87 ILE H . 51502 1 233 . 1 . 1 87 87 ILE CA C 13 59.741 0.3 . 1 . . . . . 87 ILE CA . 51502 1 234 . 1 . 1 87 87 ILE N N 15 129.828 0.3 . 1 . . . . . 87 ILE N . 51502 1 235 . 1 . 1 89 89 ASP H H 1 8.027 0.020 . 1 . . . . . 89 ASP H . 51502 1 236 . 1 . 1 89 89 ASP CA C 13 49.355 0.3 . 1 . . . . . 89 ASP CA . 51502 1 237 . 1 . 1 89 89 ASP N N 15 118.232 0.3 . 1 . . . . . 89 ASP N . 51502 1 238 . 1 . 1 90 90 VAL H H 1 8.271 0.020 . 1 . . . . . 90 VAL H . 51502 1 239 . 1 . 1 90 90 VAL CA C 13 60.707 0.3 . 1 . . . . . 90 VAL CA . 51502 1 240 . 1 . 1 90 90 VAL N N 15 118.308 0.3 . 1 . . . . . 90 VAL N . 51502 1 241 . 1 . 1 91 91 LEU H H 1 9.107 0.020 . 1 . . . . . 91 LEU H . 51502 1 242 . 1 . 1 91 91 LEU CA C 13 49.744 0.3 . 1 . . . . . 91 LEU CA . 51502 1 243 . 1 . 1 91 91 LEU N N 15 128.126 0.3 . 1 . . . . . 91 LEU N . 51502 1 244 . 1 . 1 92 92 ILE H H 1 9.001 0.020 . 1 . . . . . 92 ILE H . 51502 1 245 . 1 . 1 92 92 ILE CA C 13 59.802 0.3 . 1 . . . . . 92 ILE CA . 51502 1 246 . 1 . 1 92 92 ILE N N 15 126.662 0.3 . 1 . . . . . 92 ILE N . 51502 1 247 . 1 . 1 93 93 VAL H H 1 8.860 0.020 . 1 . . . . . 93 VAL H . 51502 1 248 . 1 . 1 93 93 VAL CA C 13 62.188 0.3 . 1 . . . . . 93 VAL CA . 51502 1 249 . 1 . 1 93 93 VAL N N 15 127.389 0.3 . 1 . . . . . 93 VAL N . 51502 1 250 . 1 . 1 94 94 SER H H 1 7.786 0.020 . 1 . . . . . 94 SER H . 51502 1 251 . 1 . 1 94 94 SER CA C 13 54.285 0.3 . 1 . . . . . 94 SER CA . 51502 1 252 . 1 . 1 94 94 SER N N 15 111.697 0.3 . 1 . . . . . 94 SER N . 51502 1 253 . 1 . 1 95 95 PHE H H 1 8.986 0.020 . 1 . . . . . 95 PHE H . 51502 1 254 . 1 . 1 95 95 PHE CA C 13 55.176 0.3 . 1 . . . . . 95 PHE CA . 51502 1 255 . 1 . 1 95 95 PHE N N 15 128.916 0.3 . 1 . . . . . 95 PHE N . 51502 1 256 . 1 . 1 96 96 LYS H H 1 8.089 0.020 . 1 . . . . . 96 LYS H . 51502 1 257 . 1 . 1 96 96 LYS CA C 13 52.762 0.3 . 1 . . . . . 96 LYS CA . 51502 1 258 . 1 . 1 96 96 LYS N N 15 119.942 0.3 . 1 . . . . . 96 LYS N . 51502 1 259 . 1 . 1 97 97 GLU H H 1 9.003 0.020 . 1 . . . . . 97 GLU H . 51502 1 260 . 1 . 1 97 97 GLU CA C 13 54.744 0.3 . 1 . . . . . 97 GLU CA . 51502 1 261 . 1 . 1 97 97 GLU N N 15 122.590 0.3 . 1 . . . . . 97 GLU N . 51502 1 262 . 1 . 1 98 98 LYS H H 1 7.675 0.020 . 1 . . . . . 98 LYS H . 51502 1 263 . 1 . 1 98 98 LYS CA C 13 54.974 0.3 . 1 . . . . . 98 LYS CA . 51502 1 264 . 1 . 1 98 98 LYS N N 15 125.845 0.3 . 1 . . . . . 98 LYS N . 51502 1 stop_ save_