################################### # 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 28089 _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' . . . 28089 1 2 '3D CBCA(CO)NH' . . . 28089 1 3 '3D HNCA' . . . 28089 1 4 '3D HNCACB' . . . 28089 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 3 3 PHE H H 1 8.225 0.020 . 1 . . . . . 3 PHE H . 28089 1 2 . 1 . 1 3 3 PHE CA C 13 54.574 0.3 . 1 . . . . . 3 PHE CA . 28089 1 3 . 1 . 1 3 3 PHE CB C 13 36.534 0.3 . 1 . . . . . 3 PHE CB . 28089 1 4 . 1 . 1 3 3 PHE N N 15 117.387 0.3 . 1 . . . . . 3 PHE N . 28089 1 5 . 1 . 1 4 4 GLU H H 1 8.213 0.020 . 1 . . . . . 4 GLU H . 28089 1 6 . 1 . 1 4 4 GLU CA C 13 53.696 0.3 . 1 . . . . . 4 GLU CA . 28089 1 7 . 1 . 1 4 4 GLU CB C 13 28.312 0.3 . 1 . . . . . 4 GLU CB . 28089 1 8 . 1 . 1 4 4 GLU N N 15 120.710 0.3 . 1 . . . . . 4 GLU N . 28089 1 9 . 1 . 1 5 5 THR H H 1 8.240 0.020 . 1 . . . . . 5 THR H . 28089 1 10 . 1 . 1 5 5 THR CA C 13 58.406 0.3 . 1 . . . . . 5 THR CA . 28089 1 11 . 1 . 1 5 5 THR CB C 13 68.065 0.3 . 1 . . . . . 5 THR CB . 28089 1 12 . 1 . 1 5 5 THR N N 15 114.506 0.3 . 1 . . . . . 5 THR N . 28089 1 13 . 1 . 1 6 6 LEU H H 1 8.398 0.020 . 1 . . . . . 6 LEU H . 28089 1 14 . 1 . 1 6 6 LEU CA C 13 52.419 0.3 . 1 . . . . . 6 LEU CA . 28089 1 15 . 1 . 1 6 6 LEU CB C 13 39.408 0.3 . 1 . . . . . 6 LEU CB . 28089 1 16 . 1 . 1 6 6 LEU N N 15 127.822 0.3 . 1 . . . . . 6 LEU N . 28089 1 17 . 1 . 1 7 7 VAL H H 1 8.840 0.020 . 1 . . . . . 7 VAL H . 28089 1 18 . 1 . 1 7 7 VAL CA C 13 60.880 0.3 . 1 . . . . . 7 VAL CA . 28089 1 19 . 1 . 1 7 7 VAL CB C 13 30.308 0.3 . 1 . . . . . 7 VAL CB . 28089 1 20 . 1 . 1 7 7 VAL N N 15 126.277 0.3 . 1 . . . . . 7 VAL N . 28089 1 21 . 1 . 1 8 8 ALA H H 1 7.573 0.020 . 1 . . . . . 8 ALA H . 28089 1 22 . 1 . 1 8 8 ALA CA C 13 49.066 0.3 . 1 . . . . . 8 ALA CA . 28089 1 23 . 1 . 1 8 8 ALA CB C 13 19.212 0.3 . 1 . . . . . 8 ALA CB . 28089 1 24 . 1 . 1 8 8 ALA N N 15 119.397 0.3 . 1 . . . . . 8 ALA N . 28089 1 25 . 1 . 1 9 9 SER H H 1 8.396 0.020 . 1 . . . . . 9 SER H . 28089 1 26 . 1 . 1 9 9 SER CA C 13 53.537 0.3 . 1 . . . . . 9 SER CA . 28089 1 27 . 1 . 1 9 9 SER CB C 13 63.195 0.3 . 1 . . . . . 9 SER CB . 28089 1 28 . 1 . 1 9 9 SER N N 15 114.948 0.3 . 1 . . . . . 9 SER N . 28089 1 29 . 1 . 1 10 10 ASN H H 1 8.683 0.020 . 1 . . . . . 10 ASN H . 28089 1 30 . 1 . 1 10 10 ASN CA C 13 51.302 0.3 . 1 . . . . . 10 ASN CA . 28089 1 31 . 1 . 1 10 10 ASN CB C 13 33.900 0.3 . 1 . . . . . 10 ASN CB . 28089 1 32 . 1 . 1 10 10 ASN N N 15 118.638 0.3 . 1 . . . . . 10 ASN N . 28089 1 33 . 1 . 1 11 11 ILE H H 1 8.407 0.020 . 1 . . . . . 11 ILE H . 28089 1 34 . 1 . 1 11 11 ILE CA C 13 55.452 0.3 . 1 . . . . . 11 ILE CA . 28089 1 35 . 1 . 1 11 11 ILE CB C 13 33.140 0.3 . 1 . . . . . 11 ILE CB . 28089 1 36 . 1 . 1 11 11 ILE N N 15 122.759 0.3 . 1 . . . . . 11 ILE N . 28089 1 37 . 1 . 1 12 12 GLU H H 1 7.849 0.020 . 1 . . . . . 12 GLU H . 28089 1 38 . 1 . 1 12 12 GLU CA C 13 51.461 0.3 . 1 . . . . . 12 GLU CA . 28089 1 39 . 1 . 1 12 12 GLU CB C 13 29.988 0.3 . 1 . . . . . 12 GLU CB . 28089 1 40 . 1 . 1 12 12 GLU N N 15 121.400 0.3 . 1 . . . . . 12 GLU N . 28089 1 41 . 1 . 1 13 13 GLY H H 1 8.933 0.020 . 1 . . . . . 13 GLY H . 28089 1 42 . 1 . 1 13 13 GLY CA C 13 42.601 0.3 . 1 . . . . . 13 GLY CA . 28089 1 43 . 1 . 1 13 13 GLY N N 15 108.191 0.3 . 1 . . . . . 13 GLY N . 28089 1 44 . 1 . 1 14 14 CYS H H 1 8.875 0.020 . 1 . . . . . 14 CYS H . 28089 1 45 . 1 . 1 14 14 CYS CA C 13 53.457 0.3 . 1 . . . . . 14 CYS CA . 28089 1 46 . 1 . 1 14 14 CYS CB C 13 27.753 0.3 . 1 . . . . . 14 CYS CB . 28089 1 47 . 1 . 1 14 14 CYS N N 15 118.331 0.3 . 1 . . . . . 14 CYS N . 28089 1 48 . 1 . 1 15 15 VAL H H 1 8.336 0.020 . 1 . . . . . 15 VAL H . 28089 1 49 . 1 . 1 15 15 VAL CA C 13 61.599 0.3 . 1 . . . . . 15 VAL CA . 28089 1 50 . 1 . 1 15 15 VAL CB C 13 28.631 0.3 . 1 . . . . . 15 VAL CB . 28089 1 51 . 1 . 1 15 15 VAL N N 15 126.593 0.3 . 1 . . . . . 15 VAL N . 28089 1 52 . 1 . 1 16 16 THR H H 1 8.933 0.020 . 1 . . . . . 16 THR H . 28089 1 53 . 1 . 1 16 16 THR CA C 13 59.923 0.3 . 1 . . . . . 16 THR CA . 28089 1 54 . 1 . 1 16 16 THR CB C 13 66.388 0.3 . 1 . . . . . 16 THR CB . 28089 1 55 . 1 . 1 16 16 THR N N 15 122.971 0.3 . 1 . . . . . 16 THR N . 28089 1 56 . 1 . 1 17 17 ARG H H 1 7.986 0.020 . 1 . . . . . 17 ARG H . 28089 1 57 . 1 . 1 17 17 ARG CA C 13 54.494 0.3 . 1 . . . . . 17 ARG CA . 28089 1 58 . 1 . 1 17 17 ARG CB C 13 30.547 0.3 . 1 . . . . . 17 ARG CB . 28089 1 59 . 1 . 1 17 17 ARG N N 15 123.118 0.3 . 1 . . . . . 17 ARG N . 28089 1 60 . 1 . 1 18 18 GLU H H 1 8.944 0.020 . 1 . . . . . 18 GLU H . 28089 1 61 . 1 . 1 18 18 GLU CA C 13 53.776 0.3 . 1 . . . . . 18 GLU CA . 28089 1 62 . 1 . 1 18 18 GLU CB C 13 27.753 0.3 . 1 . . . . . 18 GLU CB . 28089 1 63 . 1 . 1 18 18 GLU N N 15 127.146 0.3 . 1 . . . . . 18 GLU N . 28089 1 64 . 1 . 1 19 19 ALA H H 1 7.672 0.020 . 1 . . . . . 19 ALA H . 28089 1 65 . 1 . 1 19 19 ALA CA C 13 47.071 0.3 . 1 . . . . . 19 ALA CA . 28089 1 66 . 1 . 1 19 19 ALA CB C 13 14.742 0.3 . 1 . . . . . 19 ALA CB . 28089 1 67 . 1 . 1 19 19 ALA N N 15 126.654 0.3 . 1 . . . . . 19 ALA N . 28089 1 68 . 1 . 1 21 21 LYS H H 1 8.208 0.020 . 1 . . . . . 21 LYS H . 28089 1 69 . 1 . 1 21 21 LYS CA C 13 53.537 0.3 . 1 . . . . . 21 LYS CA . 28089 1 70 . 1 . 1 21 21 LYS CB C 13 30.308 0.3 . 1 . . . . . 21 LYS CB . 28089 1 71 . 1 . 1 21 21 LYS N N 15 119.831 0.3 . 1 . . . . . 21 LYS N . 28089 1 72 . 1 . 1 22 22 SER H H 1 7.771 0.020 . 1 . . . . . 22 SER H . 28089 1 73 . 1 . 1 22 22 SER CA C 13 53.457 0.3 . 1 . . . . . 22 SER CA . 28089 1 74 . 1 . 1 22 22 SER CB C 13 61.120 0.3 . 1 . . . . . 22 SER CB . 28089 1 75 . 1 . 1 22 22 SER N N 15 115.144 0.3 . 1 . . . . . 22 SER N . 28089 1 76 . 1 . 1 24 24 ILE H H 1 8.066 0.020 . 1 . . . . . 24 ILE H . 28089 1 77 . 1 . 1 24 24 ILE CA C 13 58.406 0.3 . 1 . . . . . 24 ILE CA . 28089 1 78 . 1 . 1 24 24 ILE CB C 13 36.055 0.3 . 1 . . . . . 24 ILE CB . 28089 1 79 . 1 . 1 24 24 ILE N N 15 119.929 0.3 . 1 . . . . . 24 ILE N . 28089 1 80 . 1 . 1 25 25 LYS H H 1 8.341 0.020 . 1 . . . . . 25 LYS H . 28089 1 81 . 1 . 1 25 25 LYS CA C 13 53.616 0.3 . 1 . . . . . 25 LYS CA . 28089 1 82 . 1 . 1 25 25 LYS CB C 13 29.829 0.3 . 1 . . . . . 25 LYS CB . 28089 1 83 . 1 . 1 25 25 LYS N N 15 124.281 0.3 . 1 . . . . . 25 LYS N . 28089 1 84 . 1 . 1 26 26 SER H H 1 8.143 0.020 . 1 . . . . . 26 SER H . 28089 1 85 . 1 . 1 26 26 SER CA C 13 55.532 0.3 . 1 . . . . . 26 SER CA . 28089 1 86 . 1 . 1 26 26 SER CB C 13 60.880 0.3 . 1 . . . . . 26 SER CB . 28089 1 87 . 1 . 1 26 26 SER N N 15 116.603 0.3 . 1 . . . . . 26 SER N . 28089 1 88 . 1 . 1 27 27 GLN H H 1 8.444 0.020 . 1 . . . . . 27 GLN H . 28089 1 89 . 1 . 1 27 27 GLN CA C 13 53.457 0.3 . 1 . . . . . 27 GLN CA . 28089 1 90 . 1 . 1 27 27 GLN CB C 13 25.997 0.3 . 1 . . . . . 27 GLN CB . 28089 1 91 . 1 . 1 27 27 GLN N N 15 121.335 0.3 . 1 . . . . . 27 GLN N . 28089 1 92 . 1 . 1 28 28 ASP H H 1 8.120 0.020 . 1 . . . . . 28 ASP H . 28089 1 93 . 1 . 1 28 28 ASP CA C 13 51.461 0.3 . 1 . . . . . 28 ASP CA . 28089 1 94 . 1 . 1 28 28 ASP CB C 13 38.769 0.3 . 1 . . . . . 28 ASP CB . 28089 1 95 . 1 . 1 28 28 ASP N N 15 119.312 0.3 . 1 . . . . . 28 ASP N . 28089 1 96 . 1 . 1 29 29 ARG H H 1 8.084 0.020 . 1 . . . . . 29 ARG H . 28089 1 97 . 1 . 1 29 29 ARG CA C 13 52.978 0.3 . 1 . . . . . 29 ARG CA . 28089 1 98 . 1 . 1 29 29 ARG CB C 13 27.194 0.3 . 1 . . . . . 29 ARG CB . 28089 1 99 . 1 . 1 29 29 ARG N N 15 119.888 0.3 . 1 . . . . . 29 ARG N . 28089 1 100 . 1 . 1 30 30 VAL H H 1 8.044 0.020 . 1 . . . . . 30 VAL H . 28089 1 101 . 1 . 1 30 30 VAL CA C 13 59.444 0.3 . 1 . . . . . 30 VAL CA . 28089 1 102 . 1 . 1 30 30 VAL CB C 13 30.467 0.3 . 1 . . . . . 30 VAL CB . 28089 1 103 . 1 . 1 30 30 VAL N N 15 121.326 0.3 . 1 . . . . . 30 VAL N . 28089 1 104 . 1 . 1 31 31 GLU H H 1 8.414 0.020 . 1 . . . . . 31 GLU H . 28089 1 105 . 1 . 1 31 31 GLU CA C 13 53.377 0.3 . 1 . . . . . 31 GLU CA . 28089 1 106 . 1 . 1 31 31 GLU CB C 13 28.312 0.3 . 1 . . . . . 31 GLU CB . 28089 1 107 . 1 . 1 31 31 GLU N N 15 123.640 0.3 . 1 . . . . . 31 GLU N . 28089 1 108 . 1 . 1 32 32 GLY H H 1 8.176 0.020 . 1 . . . . . 32 GLY H . 28089 1 109 . 1 . 1 32 32 GLY CA C 13 41.483 0.3 . 1 . . . . . 32 GLY CA . 28089 1 110 . 1 . 1 32 32 GLY N N 15 110.257 0.3 . 1 . . . . . 32 GLY N . 28089 1 111 . 1 . 1 33 33 GLY H H 1 7.723 0.020 . 1 . . . . . 33 GLY H . 28089 1 112 . 1 . 1 33 33 GLY CA C 13 40.765 0.3 . 1 . . . . . 33 GLY CA . 28089 1 113 . 1 . 1 33 33 GLY N N 15 106.674 0.3 . 1 . . . . . 33 GLY N . 28089 1 114 . 1 . 1 34 34 VAL H H 1 9.059 0.020 . 1 . . . . . 34 VAL H . 28089 1 115 . 1 . 1 34 34 VAL CA C 13 59.204 0.3 . 1 . . . . . 34 VAL CA . 28089 1 116 . 1 . 1 34 34 VAL CB C 13 33.341 0.3 . 1 . . . . . 34 VAL CB . 28089 1 117 . 1 . 1 34 34 VAL N N 15 117.571 0.3 . 1 . . . . . 34 VAL N . 28089 1 118 . 1 . 1 35 35 ILE H H 1 9.147 0.020 . 1 . . . . . 35 ILE H . 28089 1 119 . 1 . 1 35 35 ILE CA C 13 56.730 0.3 . 1 . . . . . 35 ILE CA . 28089 1 120 . 1 . 1 35 35 ILE CB C 13 38.609 0.3 . 1 . . . . . 35 ILE CB . 28089 1 121 . 1 . 1 35 35 ILE N N 15 128.129 0.3 . 1 . . . . . 35 ILE N . 28089 1 122 . 1 . 1 36 36 THR H H 1 8.940 0.020 . 1 . . . . . 36 THR H . 28089 1 123 . 1 . 1 36 36 THR CA C 13 58.805 0.3 . 1 . . . . . 36 THR CA . 28089 1 124 . 1 . 1 36 36 THR CB C 13 66.468 0.3 . 1 . . . . . 36 THR CB . 28089 1 125 . 1 . 1 36 36 THR N N 15 122.581 0.3 . 1 . . . . . 36 THR N . 28089 1 126 . 1 . 1 37 37 TYR H H 1 9.530 0.020 . 1 . . . . . 37 TYR H . 28089 1 127 . 1 . 1 37 37 TYR CA C 13 52.419 0.3 . 1 . . . . . 37 TYR CA . 28089 1 128 . 1 . 1 37 37 TYR CB C 13 39.647 0.3 . 1 . . . . . 37 TYR CB . 28089 1 129 . 1 . 1 37 37 TYR N N 15 128.282 0.3 . 1 . . . . . 37 TYR N . 28089 1 130 . 1 . 1 38 38 GLU H H 1 8.825 0.020 . 1 . . . . . 38 GLU H . 28089 1 131 . 1 . 1 38 38 GLU CA C 13 52.259 0.3 . 1 . . . . . 38 GLU CA . 28089 1 132 . 1 . 1 38 38 GLU CB C 13 29.270 0.3 . 1 . . . . . 38 GLU CB . 28089 1 133 . 1 . 1 38 38 GLU N N 15 120.076 0.3 . 1 . . . . . 38 GLU N . 28089 1 134 . 1 . 1 39 39 HIS H H 1 8.643 0.020 . 1 . . . . . 39 HIS H . 28089 1 135 . 1 . 1 39 39 HIS CA C 13 53.377 0.3 . 1 . . . . . 39 HIS CA . 28089 1 136 . 1 . 1 39 39 HIS CB C 13 30.547 0.3 . 1 . . . . . 39 HIS CB . 28089 1 137 . 1 . 1 39 39 HIS N N 15 123.971 0.3 . 1 . . . . . 39 HIS N . 28089 1 138 . 1 . 1 40 40 ALA H H 1 8.862 0.020 . 1 . . . . . 40 ALA H . 28089 1 139 . 1 . 1 40 40 ALA CA C 13 50.583 0.3 . 1 . . . . . 40 ALA CA . 28089 1 140 . 1 . 1 40 40 ALA CB C 13 13.704 0.3 . 1 . . . . . 40 ALA CB . 28089 1 141 . 1 . 1 40 40 ALA N N 15 130.893 0.3 . 1 . . . . . 40 ALA N . 28089 1 142 . 1 . 1 41 41 ASP H H 1 8.493 0.020 . 1 . . . . . 41 ASP H . 28089 1 143 . 1 . 1 41 41 ASP CA C 13 52.738 0.3 . 1 . . . . . 41 ASP CA . 28089 1 144 . 1 . 1 41 41 ASP CB C 13 37.013 0.3 . 1 . . . . . 41 ASP CB . 28089 1 145 . 1 . 1 41 41 ASP N N 15 111.601 0.3 . 1 . . . . . 41 ASP N . 28089 1 146 . 1 . 1 42 42 VAL H H 1 7.802 0.020 . 1 . . . . . 42 VAL H . 28089 1 147 . 1 . 1 42 42 VAL CA C 13 58.326 0.3 . 1 . . . . . 42 VAL CA . 28089 1 148 . 1 . 1 42 42 VAL CB C 13 31.744 0.3 . 1 . . . . . 42 VAL CB . 28089 1 149 . 1 . 1 42 42 VAL N N 15 118.895 0.3 . 1 . . . . . 42 VAL N . 28089 1 150 . 1 . 1 43 43 LYS H H 1 8.245 0.020 . 1 . . . . . 43 LYS H . 28089 1 151 . 1 . 1 43 43 LYS CA C 13 53.457 0.3 . 1 . . . . . 43 LYS CA . 28089 1 152 . 1 . 1 43 43 LYS CB C 13 29.988 0.3 . 1 . . . . . 43 LYS CB . 28089 1 153 . 1 . 1 43 43 LYS N N 15 124.581 0.3 . 1 . . . . . 43 LYS N . 28089 1 154 . 1 . 1 44 44 LYS H H 1 8.865 0.020 . 1 . . . . . 44 LYS H . 28089 1 155 . 1 . 1 44 44 LYS CA C 13 51.701 0.3 . 1 . . . . . 44 LYS CA . 28089 1 156 . 1 . 1 44 44 LYS CB C 13 33.181 0.3 . 1 . . . . . 44 LYS CB . 28089 1 157 . 1 . 1 44 44 LYS N N 15 125.895 0.3 . 1 . . . . . 44 LYS N . 28089 1 158 . 1 . 1 45 45 THR H H 1 7.807 0.020 . 1 . . . . . 45 THR H . 28089 1 159 . 1 . 1 45 45 THR CA C 13 56.251 0.3 . 1 . . . . . 45 THR CA . 28089 1 160 . 1 . 1 45 45 THR CB C 13 69.422 0.3 . 1 . . . . . 45 THR CB . 28089 1 161 . 1 . 1 45 45 THR N N 15 107.440 0.3 . 1 . . . . . 45 THR N . 28089 1 162 . 1 . 1 46 46 ILE H H 1 9.113 0.020 . 1 . . . . . 46 ILE H . 28089 1 163 . 1 . 1 46 46 ILE CA C 13 57.368 0.3 . 1 . . . . . 46 ILE CA . 28089 1 164 . 1 . 1 46 46 ILE CB C 13 39.727 0.3 . 1 . . . . . 46 ILE CB . 28089 1 165 . 1 . 1 46 46 ILE N N 15 122.266 0.3 . 1 . . . . . 46 ILE N . 28089 1 166 . 1 . 1 47 47 MET H H 1 8.244 0.020 . 1 . . . . . 47 MET H . 28089 1 167 . 1 . 1 47 47 MET CA C 13 52.100 0.3 . 1 . . . . . 47 MET CA . 28089 1 168 . 1 . 1 47 47 MET CB C 13 31.585 0.3 . 1 . . . . . 47 MET CB . 28089 1 169 . 1 . 1 47 47 MET N N 15 125.336 0.3 . 1 . . . . . 47 MET N . 28089 1 170 . 1 . 1 48 48 TYR H H 1 7.429 0.020 . 1 . . . . . 48 TYR H . 28089 1 171 . 1 . 1 48 48 TYR CA C 13 52.100 0.3 . 1 . . . . . 48 TYR CA . 28089 1 172 . 1 . 1 48 48 TYR CB C 13 40.765 0.3 . 1 . . . . . 48 TYR CB . 28089 1 173 . 1 . 1 48 48 TYR N N 15 116.539 0.3 . 1 . . . . . 48 TYR N . 28089 1 174 . 1 . 1 49 49 PHE H H 1 9.850 0.020 . 1 . . . . . 49 PHE H . 28089 1 175 . 1 . 1 49 49 PHE CA C 13 53.616 0.3 . 1 . . . . . 49 PHE CA . 28089 1 176 . 1 . 1 49 49 PHE CB C 13 38.530 0.3 . 1 . . . . . 49 PHE CB . 28089 1 177 . 1 . 1 49 49 PHE N N 15 119.644 0.3 . 1 . . . . . 49 PHE N . 28089 1 178 . 1 . 1 51 51 LYS H H 1 8.443 0.020 . 1 . . . . . 51 LYS H . 28089 1 179 . 1 . 1 51 51 LYS CA C 13 54.904 0.3 . 1 . . . . . 51 LYS CA . 28089 1 180 . 1 . 1 51 51 LYS CB C 13 29.350 0.3 . 1 . . . . . 51 LYS CB . 28089 1 181 . 1 . 1 51 51 LYS N N 15 117.021 0.3 . 1 . . . . . 51 LYS N . 28089 1 182 . 1 . 1 52 52 ASP H H 1 7.803 0.020 . 1 . . . . . 52 ASP H . 28089 1 183 . 1 . 1 52 52 ASP CA C 13 52.180 0.3 . 1 . . . . . 52 ASP CA . 28089 1 184 . 1 . 1 52 52 ASP CB C 13 39.248 0.3 . 1 . . . . . 52 ASP CB . 28089 1 185 . 1 . 1 52 52 ASP N N 15 118.270 0.3 . 1 . . . . . 52 ASP N . 28089 1 186 . 1 . 1 53 53 CYS H H 1 7.547 0.020 . 1 . . . . . 53 CYS H . 28089 1 187 . 1 . 1 53 53 CYS CA C 13 54.495 0.3 . 1 . . . . . 53 CYS CA . 28089 1 188 . 1 . 1 53 53 CYS CB C 13 26.715 0.3 . 1 . . . . . 53 CYS CB . 28089 1 189 . 1 . 1 53 53 CYS N N 15 115.515 0.3 . 1 . . . . . 53 CYS N . 28089 1 190 . 1 . 1 54 54 GLU H H 1 8.672 0.020 . 1 . . . . . 54 GLU H . 28089 1 191 . 1 . 1 54 54 GLU CA C 13 55.772 0.3 . 1 . . . . . 54 GLU CA . 28089 1 192 . 1 . 1 54 54 GLU CB C 13 26.715 0.3 . 1 . . . . . 54 GLU CB . 28089 1 193 . 1 . 1 54 54 GLU N N 15 125.491 0.3 . 1 . . . . . 54 GLU N . 28089 1 194 . 1 . 1 55 55 LYS H H 1 7.877 0.020 . 1 . . . . . 55 LYS H . 28089 1 195 . 1 . 1 55 55 LYS CA C 13 50.583 0.3 . 1 . . . . . 55 LYS CA . 28089 1 196 . 1 . 1 55 55 LYS CB C 13 30.946 0.3 . 1 . . . . . 55 LYS CB . 28089 1 197 . 1 . 1 55 55 LYS N N 15 118.184 0.3 . 1 . . . . . 55 LYS N . 28089 1 198 . 1 . 1 58 58 ARG H H 1 8.536 0.020 . 1 . . . . . 58 ARG H . 28089 1 199 . 1 . 1 58 58 ARG CA C 13 50.583 0.3 . 1 . . . . . 58 ARG CA . 28089 1 200 . 1 . 1 58 58 ARG CB C 13 30.068 0.3 . 1 . . . . . 58 ARG CB . 28089 1 201 . 1 . 1 58 58 ARG N N 15 120.082 0.3 . 1 . . . . . 58 ARG N . 28089 1 202 . 1 . 1 59 59 ILE H H 1 8.791 0.020 . 1 . . . . . 59 ILE H . 28089 1 203 . 1 . 1 59 59 ILE CA C 13 58.805 0.3 . 1 . . . . . 59 ILE CA . 28089 1 204 . 1 . 1 59 59 ILE CB C 13 35.815 0.3 . 1 . . . . . 59 ILE CB . 28089 1 205 . 1 . 1 59 59 ILE N N 15 119.651 0.3 . 1 . . . . . 59 ILE N . 28089 1 206 . 1 . 1 60 60 GLY H H 1 8.733 0.020 . 1 . . . . . 60 GLY H . 28089 1 207 . 1 . 1 60 60 GLY CA C 13 42.122 0.3 . 1 . . . . . 60 GLY CA . 28089 1 208 . 1 . 1 60 60 GLY N N 15 114.273 0.3 . 1 . . . . . 60 GLY N . 28089 1 209 . 1 . 1 61 61 GLU H H 1 8.029 0.020 . 1 . . . . . 61 GLU H . 28089 1 210 . 1 . 1 61 61 GLU CA C 13 54.335 0.3 . 1 . . . . . 61 GLU CA . 28089 1 211 . 1 . 1 61 61 GLU CB C 13 27.753 0.3 . 1 . . . . . 61 GLU CB . 28089 1 212 . 1 . 1 61 61 GLU N N 15 120.464 0.3 . 1 . . . . . 61 GLU N . 28089 1 213 . 1 . 1 62 62 ARG H H 1 8.438 0.020 . 1 . . . . . 62 ARG H . 28089 1 214 . 1 . 1 62 62 ARG CA C 13 52.259 0.3 . 1 . . . . . 62 ARG CA . 28089 1 215 . 1 . 1 62 62 ARG CB C 13 27.354 0.3 . 1 . . . . . 62 ARG CB . 28089 1 216 . 1 . 1 62 62 ARG N N 15 122.540 0.3 . 1 . . . . . 62 ARG N . 28089 1 217 . 1 . 1 63 63 VAL H H 1 8.830 0.020 . 1 . . . . . 63 VAL H . 28089 1 218 . 1 . 1 63 63 VAL CA C 13 55.373 0.3 . 1 . . . . . 63 VAL CA . 28089 1 219 . 1 . 1 63 63 VAL CB C 13 33.421 0.3 . 1 . . . . . 63 VAL CB . 28089 1 220 . 1 . 1 63 63 VAL N N 15 117.363 0.3 . 1 . . . . . 63 VAL N . 28089 1 221 . 1 . 1 64 64 ARG H H 1 9.070 0.020 . 1 . . . . . 64 ARG H . 28089 1 222 . 1 . 1 64 64 ARG CA C 13 50.184 0.3 . 1 . . . . . 64 ARG CA . 28089 1 223 . 1 . 1 64 64 ARG CB C 13 29.988 0.3 . 1 . . . . . 64 ARG CB . 28089 1 224 . 1 . 1 64 64 ARG N N 15 120.514 0.3 . 1 . . . . . 64 ARG N . 28089 1 225 . 1 . 1 65 65 PHE H H 1 8.734 0.020 . 1 . . . . . 65 PHE H . 28089 1 226 . 1 . 1 65 65 PHE CA C 13 53.537 0.3 . 1 . . . . . 65 PHE CA . 28089 1 227 . 1 . 1 65 65 PHE CB C 13 37.891 0.3 . 1 . . . . . 65 PHE CB . 28089 1 228 . 1 . 1 65 65 PHE N N 15 117.902 0.3 . 1 . . . . . 65 PHE N . 28089 1 229 . 1 . 1 66 66 ASP H H 1 8.719 0.020 . 1 . . . . . 66 ASP H . 28089 1 230 . 1 . 1 66 66 ASP CA C 13 49.146 0.3 . 1 . . . . . 66 ASP CA . 28089 1 231 . 1 . 1 66 66 ASP CB C 13 41.643 0.3 . 1 . . . . . 66 ASP CB . 28089 1 232 . 1 . 1 66 66 ASP N N 15 116.260 0.3 . 1 . . . . . 66 ASP N . 28089 1 233 . 1 . 1 67 67 ILE H H 1 8.812 0.020 . 1 . . . . . 67 ILE H . 28089 1 234 . 1 . 1 67 67 ILE CA C 13 58.965 0.3 . 1 . . . . . 67 ILE CA . 28089 1 235 . 1 . 1 67 67 ILE CB C 13 36.694 0.3 . 1 . . . . . 67 ILE CB . 28089 1 236 . 1 . 1 67 67 ILE N N 15 119.501 0.3 . 1 . . . . . 67 ILE N . 28089 1 237 . 1 . 1 68 68 TYR H H 1 9.108 0.020 . 1 . . . . . 68 TYR H . 28089 1 238 . 1 . 1 68 68 TYR CA C 13 52.898 0.3 . 1 . . . . . 68 TYR CA . 28089 1 239 . 1 . 1 68 68 TYR CB C 13 39.807 0.3 . 1 . . . . . 68 TYR CB . 28089 1 240 . 1 . 1 68 68 TYR N N 15 128.712 0.3 . 1 . . . . . 68 TYR N . 28089 1 241 . 1 . 1 69 69 MET H H 1 8.844 0.020 . 1 . . . . . 69 MET H . 28089 1 242 . 1 . 1 69 69 MET CA C 13 51.621 0.3 . 1 . . . . . 69 MET CA . 28089 1 243 . 1 . 1 69 69 MET CB C 13 31.824 0.3 . 1 . . . . . 69 MET CB . 28089 1 244 . 1 . 1 69 69 MET N N 15 122.834 0.3 . 1 . . . . . 69 MET N . 28089 1 245 . 1 . 1 70 70 VAL H H 1 8.918 0.020 . 1 . . . . . 70 VAL H . 28089 1 246 . 1 . 1 70 70 VAL CA C 13 59.603 0.3 . 1 . . . . . 70 VAL CA . 28089 1 247 . 1 . 1 70 70 VAL CB C 13 29.350 0.3 . 1 . . . . . 70 VAL CB . 28089 1 248 . 1 . 1 70 70 VAL N N 15 127.125 0.3 . 1 . . . . . 70 VAL N . 28089 1 249 . 1 . 1 71 71 LYS H H 1 8.286 0.020 . 1 . . . . . 71 LYS H . 28089 1 250 . 1 . 1 71 71 LYS CA C 13 54.016 0.3 . 1 . . . . . 71 LYS CA . 28089 1 251 . 1 . 1 71 71 LYS N N 15 120.521 0.3 . 1 . . . . . 71 LYS N . 28089 1 252 . 1 . 1 72 72 ARG H H 1 8.446 0.020 . 1 . . . . . 72 ARG H . 28089 1 253 . 1 . 1 72 72 ARG CA C 13 55.815 0.3 . 1 . . . . . 72 ARG CA . 28089 1 254 . 1 . 1 72 72 ARG CB C 13 26.636 0.3 . 1 . . . . . 72 ARG CB . 28089 1 255 . 1 . 1 72 72 ARG N N 15 117.142 0.3 . 1 . . . . . 72 ARG N . 28089 1 256 . 1 . 1 73 73 ASN H H 1 7.478 0.020 . 1 . . . . . 73 ASN H . 28089 1 257 . 1 . 1 73 73 ASN CA C 13 49.705 0.3 . 1 . . . . . 73 ASN CA . 28089 1 258 . 1 . 1 73 73 ASN CB C 13 35.815 0.3 . 1 . . . . . 73 ASN CB . 28089 1 259 . 1 . 1 73 73 ASN N N 15 114.325 0.3 . 1 . . . . . 73 ASN N . 28089 1 260 . 1 . 1 74 74 LYS H H 1 7.984 0.020 . 1 . . . . . 74 LYS H . 28089 1 261 . 1 . 1 74 74 LYS CA C 13 54.654 0.3 . 1 . . . . . 74 LYS CA . 28089 1 262 . 1 . 1 74 74 LYS CB C 13 27.434 0.3 . 1 . . . . . 74 LYS CB . 28089 1 263 . 1 . 1 74 74 LYS N N 15 115.879 0.3 . 1 . . . . . 74 LYS N . 28089 1 264 . 1 . 1 75 75 GLU H H 1 7.620 0.020 . 1 . . . . . 75 GLU H . 28089 1 265 . 1 . 1 75 75 GLU CA C 13 53.217 0.3 . 1 . . . . . 75 GLU CA . 28089 1 266 . 1 . 1 75 75 GLU CB C 13 28.631 0.3 . 1 . . . . . 75 GLU CB . 28089 1 267 . 1 . 1 75 75 GLU N N 15 118.893 0.3 . 1 . . . . . 75 GLU N . 28089 1 268 . 1 . 1 76 76 CYS H H 1 8.549 0.020 . 1 . . . . . 76 CYS H . 28089 1 269 . 1 . 1 76 76 CYS CA C 13 55.532 0.3 . 1 . . . . . 76 CYS CA . 28089 1 270 . 1 . 1 76 76 CYS CB C 13 26.476 0.3 . 1 . . . . . 76 CYS CB . 28089 1 271 . 1 . 1 76 76 CYS N N 15 120.952 0.3 . 1 . . . . . 76 CYS N . 28089 1 272 . 1 . 1 77 77 ILE H H 1 9.081 0.020 . 1 . . . . . 77 ILE H . 28089 1 273 . 1 . 1 77 77 ILE CA C 13 56.889 0.3 . 1 . . . . . 77 ILE CA . 28089 1 274 . 1 . 1 77 77 ILE CB C 13 39.567 0.3 . 1 . . . . . 77 ILE CB . 28089 1 275 . 1 . 1 77 77 ILE N N 15 116.946 0.3 . 1 . . . . . 77 ILE N . 28089 1 276 . 1 . 1 78 78 ALA H H 1 8.430 0.020 . 1 . . . . . 78 ALA H . 28089 1 277 . 1 . 1 78 78 ALA CA C 13 47.470 0.3 . 1 . . . . . 78 ALA CA . 28089 1 278 . 1 . 1 78 78 ALA CB C 13 17.935 0.3 . 1 . . . . . 78 ALA CB . 28089 1 279 . 1 . 1 78 78 ALA N N 15 124.705 0.3 . 1 . . . . . 78 ALA N . 28089 1 280 . 1 . 1 79 79 VAL H H 1 9.072 0.020 . 1 . . . . . 79 VAL H . 28089 1 281 . 1 . 1 79 79 VAL CA C 13 56.251 0.3 . 1 . . . . . 79 VAL CA . 28089 1 282 . 1 . 1 79 79 VAL CB C 13 32.622 0.3 . 1 . . . . . 79 VAL CB . 28089 1 283 . 1 . 1 79 79 VAL N N 15 115.046 0.3 . 1 . . . . . 79 VAL N . 28089 1 284 . 1 . 1 80 80 ASN H H 1 8.669 0.020 . 1 . . . . . 80 ASN H . 28089 1 285 . 1 . 1 80 80 ASN CA C 13 51.062 0.3 . 1 . . . . . 80 ASN CA . 28089 1 286 . 1 . 1 80 80 ASN CB C 13 33.820 0.3 . 1 . . . . . 80 ASN CB . 28089 1 287 . 1 . 1 80 80 ASN N N 15 118.638 0.3 . 1 . . . . . 80 ASN N . 28089 1 288 . 1 . 1 81 81 VAL H H 1 7.673 0.020 . 1 . . . . . 81 VAL H . 28089 1 289 . 1 . 1 81 81 VAL CA C 13 60.561 0.3 . 1 . . . . . 81 VAL CA . 28089 1 290 . 1 . 1 81 81 VAL CB C 13 28.392 0.3 . 1 . . . . . 81 VAL CB . 28089 1 291 . 1 . 1 81 81 VAL N N 15 116.591 0.3 . 1 . . . . . 81 VAL N . 28089 1 292 . 1 . 1 82 82 GLN H H 1 9.237 0.020 . 1 . . . . . 82 GLN H . 28089 1 293 . 1 . 1 82 82 GLN CA C 13 51.621 0.3 . 1 . . . . . 82 GLN CA . 28089 1 294 . 1 . 1 82 82 GLN CB C 13 30.228 0.3 . 1 . . . . . 82 GLN CB . 28089 1 295 . 1 . 1 82 82 GLN N N 15 127.760 0.3 . 1 . . . . . 82 GLN N . 28089 1 296 . 1 . 1 83 83 GLN H H 1 8.936 0.020 . 1 . . . . . 83 GLN H . 28089 1 297 . 1 . 1 83 83 GLN CA C 13 54.574 0.3 . 1 . . . . . 83 GLN CA . 28089 1 298 . 1 . 1 83 83 GLN CB C 13 26.316 0.3 . 1 . . . . . 83 GLN CB . 28089 1 299 . 1 . 1 83 83 GLN N N 15 123.204 0.3 . 1 . . . . . 83 GLN N . 28089 1 300 . 1 . 1 84 84 VAL H H 1 8.095 0.020 . 1 . . . . . 84 VAL H . 28089 1 301 . 1 . 1 84 84 VAL CA C 13 59.683 0.3 . 1 . . . . . 84 VAL CA . 28089 1 302 . 1 . 1 84 84 VAL CB C 13 29.988 0.3 . 1 . . . . . 84 VAL CB . 28089 1 303 . 1 . 1 84 84 VAL N N 15 122.460 0.3 . 1 . . . . . 84 VAL N . 28089 1 304 . 1 . 1 85 85 SER H H 1 8.350 0.020 . 1 . . . . . 85 SER H . 28089 1 305 . 1 . 1 85 85 SER CA C 13 55.213 0.3 . 1 . . . . . 85 SER CA . 28089 1 306 . 1 . 1 85 85 SER CB C 13 61.040 0.3 . 1 . . . . . 85 SER CB . 28089 1 307 . 1 . 1 85 85 SER N N 15 118.748 0.3 . 1 . . . . . 85 SER N . 28089 1 308 . 1 . 1 86 86 LEU H H 1 8.251 0.020 . 1 . . . . . 86 LEU H . 28089 1 309 . 1 . 1 86 86 LEU CA C 13 52.499 0.3 . 1 . . . . . 86 LEU CA . 28089 1 310 . 1 . 1 86 86 LEU CB C 13 39.487 0.3 . 1 . . . . . 86 LEU CB . 28089 1 311 . 1 . 1 86 86 LEU N N 15 124.695 0.3 . 1 . . . . . 86 LEU N . 28089 1 312 . 1 . 1 87 87 HIS H H 1 7.826 0.020 . 1 . . . . . 87 HIS H . 28089 1 313 . 1 . 1 87 87 HIS CA C 13 53.936 0.3 . 1 . . . . . 87 HIS CA . 28089 1 314 . 1 . 1 87 87 HIS CB C 13 27.514 0.3 . 1 . . . . . 87 HIS CB . 28089 1 315 . 1 . 1 87 87 HIS N N 15 123.331 0.3 . 1 . . . . . 87 HIS N . 28089 1 stop_ save_