################################### # 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 26792 _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' . . . 26792 1 2 '3D HNCA' . . . 26792 1 3 '3D HN(CO)CA' . . . 26792 1 4 '3D HNCACB' . . . 26792 1 5 '3D CBCA(CO)NH' . . . 26792 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 2 2 SER H H 1 8.52 0.02 . 1 . . . . 31 SER H . 26792 1 2 . 1 1 2 2 SER CA C 13 53.0 0.2 . 1 . . . . 31 SER CA . 26792 1 3 . 1 1 2 2 SER CB C 13 60.3 0.2 . 1 . . . . 31 SER CB . 26792 1 4 . 1 1 2 2 SER N N 15 116.7 0.2 . 1 . . . . 31 SER N . 26792 1 5 . 1 1 3 3 ILE H H 1 8.96 0.02 . 1 . . . . 32 ILE H . 26792 1 6 . 1 1 3 3 ILE CA C 13 55.4 0.2 . 1 . . . . 32 ILE CA . 26792 1 7 . 1 1 3 3 ILE CB C 13 37.6 0.2 . 1 . . . . 32 ILE CB . 26792 1 8 . 1 1 3 3 ILE N N 15 124.0 0.2 . 1 . . . . 32 ILE N . 26792 1 9 . 1 1 4 4 SER H H 1 8.03 0.02 . 1 . . . . 33 SER H . 26792 1 10 . 1 1 4 4 SER CA C 13 50.9 0.2 . 1 . . . . 33 SER CA . 26792 1 11 . 1 1 4 4 SER CB C 13 61.8 0.2 . 1 . . . . 33 SER CB . 26792 1 12 . 1 1 4 4 SER N N 15 117.9 0.2 . 1 . . . . 33 SER N . 26792 1 13 . 1 1 5 5 PHE H H 1 8.37 0.02 . 1 . . . . 34 PHE H . 26792 1 14 . 1 1 5 5 PHE CA C 13 51.1 0.2 . 1 . . . . 34 PHE CA . 26792 1 15 . 1 1 5 5 PHE CB C 13 35.9 0.2 . 1 . . . . 34 PHE CB . 26792 1 16 . 1 1 5 5 PHE N N 15 122.6 0.2 . 1 . . . . 34 PHE N . 26792 1 17 . 1 1 6 6 HIS H H 1 8.78 0.02 . 1 . . . . 35 HIS H . 26792 1 18 . 1 1 6 6 HIS CA C 13 51.0 0.2 . 1 . . . . 35 HIS CA . 26792 1 19 . 1 1 6 6 HIS CB C 13 26.7 0.2 . 1 . . . . 35 HIS CB . 26792 1 20 . 1 1 6 6 HIS N N 15 117.8 0.2 . 1 . . . . 35 HIS N . 26792 1 21 . 1 1 7 7 LEU H H 1 9.19 0.02 . 1 . . . . 36 LEU H . 26792 1 22 . 1 1 7 7 LEU CB C 13 41.7 0.2 . 1 . . . . 36 LEU CB . 26792 1 23 . 1 1 7 7 LEU N N 15 124.7 0.2 . 1 . . . . 36 LEU N . 26792 1 24 . 1 1 8 8 PRO CA C 13 57.2 0.2 . 1 . . . . 37 PRO CA . 26792 1 25 . 1 1 8 8 PRO CB C 13 28.0 0.2 . 1 . . . . 37 PRO CB . 26792 1 26 . 1 1 9 9 VAL H H 1 8.49 0.02 . 1 . . . . 38 VAL H . 26792 1 27 . 1 1 9 9 VAL CA C 13 57.9 0.2 . 1 . . . . 38 VAL CA . 26792 1 28 . 1 1 9 9 VAL CB C 13 26.8 0.2 . 1 . . . . 38 VAL CB . 26792 1 29 . 1 1 9 9 VAL N N 15 123.2 0.2 . 1 . . . . 38 VAL N . 26792 1 30 . 1 1 10 10 ASN H H 1 6.92 0.02 . 1 . . . . 39 ASN H . 26792 1 31 . 1 1 10 10 ASN CA C 13 50.0 0.2 . 1 . . . . 39 ASN CA . 26792 1 32 . 1 1 10 10 ASN CB C 13 32.4 0.2 . 1 . . . . 39 ASN CB . 26792 1 33 . 1 1 10 10 ASN N N 15 119.2 0.2 . 1 . . . . 39 ASN N . 26792 1 34 . 1 1 11 11 SER H H 1 7.57 0.02 . 1 . . . . 40 SER H . 26792 1 35 . 1 1 11 11 SER CA C 13 52.7 0.2 . 1 . . . . 40 SER CA . 26792 1 36 . 1 1 11 11 SER CB C 13 62.0 0.2 . 1 . . . . 40 SER CB . 26792 1 37 . 1 1 11 11 SER N N 15 112.6 0.2 . 1 . . . . 40 SER N . 26792 1 38 . 1 1 12 12 ARG H H 1 8.07 0.02 . 1 . . . . 41 ARG H . 26792 1 39 . 1 1 12 12 ARG CA C 13 49.4 0.2 . 1 . . . . 41 ARG CA . 26792 1 40 . 1 1 12 12 ARG CB C 13 29.8 0.2 . 1 . . . . 41 ARG CB . 26792 1 41 . 1 1 12 12 ARG N N 15 119.5 0.2 . 1 . . . . 41 ARG N . 26792 1 42 . 1 1 13 13 LYS H H 1 8.94 0.02 . 1 . . . . 42 LYS H . 26792 1 43 . 1 1 13 13 LYS CA C 13 50.6 0.2 . 1 . . . . 42 LYS CA . 26792 1 44 . 1 1 13 13 LYS CB C 13 31.8 0.2 . 1 . . . . 42 LYS CB . 26792 1 45 . 1 1 13 13 LYS N N 15 126.8 0.2 . 1 . . . . 42 LYS N . 26792 1 46 . 1 1 14 14 CYS H H 1 8.57 0.02 . 1 . . . . 43 CYS H . 26792 1 47 . 1 1 14 14 CYS CA C 13 50.1 0.2 . 1 . . . . 43 CYS CA . 26792 1 48 . 1 1 14 14 CYS CB C 13 44.8 0.2 . 1 . . . . 43 CYS CB . 26792 1 49 . 1 1 14 14 CYS N N 15 122.1 0.2 . 1 . . . . 43 CYS N . 26792 1 50 . 1 1 15 15 LEU H H 1 9.06 0.02 . 1 . . . . 44 LEU H . 26792 1 51 . 1 1 15 15 LEU CA C 13 49.0 0.2 . 1 . . . . 44 LEU CA . 26792 1 52 . 1 1 15 15 LEU CB C 13 39.5 0.2 . 1 . . . . 44 LEU CB . 26792 1 53 . 1 1 15 15 LEU N N 15 124.7 0.2 . 1 . . . . 44 LEU N . 26792 1 54 . 1 1 16 16 ARG H H 1 8.39 0.02 . 1 . . . . 45 ARG H . 26792 1 55 . 1 1 16 16 ARG CA C 13 49.7 0.2 . 1 . . . . 45 ARG CA . 26792 1 56 . 1 1 16 16 ARG CB C 13 28.6 0.2 . 1 . . . . 45 ARG CB . 26792 1 57 . 1 1 16 16 ARG N N 15 122.8 0.2 . 1 . . . . 45 ARG N . 26792 1 58 . 1 1 17 17 GLU H H 1 8.97 0.02 . 1 . . . . 46 GLU H . 26792 1 59 . 1 1 17 17 GLU CA C 13 56.1 0.2 . 1 . . . . 46 GLU CA . 26792 1 60 . 1 1 17 17 GLU CB C 13 28.4 0.2 . 1 . . . . 46 GLU CB . 26792 1 61 . 1 1 17 17 GLU N N 15 126.2 0.2 . 1 . . . . 46 GLU N . 26792 1 62 . 1 1 25 25 VAL CA C 13 56.2 0.2 . 1 . . . . 54 VAL CA . 26792 1 63 . 1 1 25 25 VAL CB C 13 27.5 0.2 . 1 . . . . 54 VAL CB . 26792 1 64 . 1 1 26 26 THR H H 1 8.15 0.02 . 1 . . . . 55 THR H . 26792 1 65 . 1 1 26 26 THR CA C 13 54.1 0.2 . 1 . . . . 55 THR CA . 26792 1 66 . 1 1 26 26 THR CB C 13 67.3 0.2 . 1 . . . . 55 THR CB . 26792 1 67 . 1 1 26 26 THR N N 15 115.4 0.2 . 1 . . . . 55 THR N . 26792 1 68 . 1 1 27 27 GLY H H 1 7.77 0.02 . 1 . . . . 56 GLY H . 26792 1 69 . 1 1 27 27 GLY CA C 13 39.7 0.2 . 1 . . . . 56 GLY CA . 26792 1 70 . 1 1 27 27 GLY N N 15 109.2 0.2 . 1 . . . . 56 GLY N . 26792 1 71 . 1 1 28 28 ALA H H 1 8.43 0.02 . 1 . . . . 57 ALA H . 26792 1 72 . 1 1 28 28 ALA CA C 13 46.0 0.2 . 1 . . . . 57 ALA CA . 26792 1 73 . 1 1 28 28 ALA CB C 13 17.6 0.2 . 1 . . . . 57 ALA CB . 26792 1 74 . 1 1 28 28 ALA N N 15 126.3 0.2 . 1 . . . . 57 ALA N . 26792 1 75 . 1 1 29 29 TYR H H 1 8.29 0.02 . 1 . . . . 58 TYR H . 26792 1 76 . 1 1 29 29 TYR CA C 13 50.1 0.2 . 1 . . . . 58 TYR CA . 26792 1 77 . 1 1 29 29 TYR CB C 13 38.6 0.2 . 1 . . . . 58 TYR CB . 26792 1 78 . 1 1 29 29 TYR N N 15 117.2 0.2 . 1 . . . . 58 TYR N . 26792 1 79 . 1 1 30 30 GLU H H 1 8.62 0.02 . 1 . . . . 59 GLU H . 26792 1 80 . 1 1 30 30 GLU CA C 13 52.0 0.2 . 1 . . . . 59 GLU CA . 26792 1 81 . 1 1 30 30 GLU CB C 13 28.5 0.2 . 1 . . . . 59 GLU CB . 26792 1 82 . 1 1 30 30 GLU N N 15 120.3 0.2 . 1 . . . . 59 GLU N . 26792 1 83 . 1 1 31 31 ILE H H 1 8.70 0.02 . 1 . . . . 60 ILE H . 26792 1 84 . 1 1 31 31 ILE CA C 13 55.7 0.2 . 1 . . . . 60 ILE CA . 26792 1 85 . 1 1 31 31 ILE CB C 13 34.6 0.2 . 1 . . . . 60 ILE CB . 26792 1 86 . 1 1 31 31 ILE N N 15 127.0 0.2 . 1 . . . . 60 ILE N . 26792 1 87 . 1 1 32 32 THR H H 1 9.31 0.02 . 1 . . . . 61 THR H . 26792 1 88 . 1 1 32 32 THR CA C 13 57.1 0.2 . 1 . . . . 61 THR CA . 26792 1 89 . 1 1 32 32 THR CB C 13 66.1 0.2 . 1 . . . . 61 THR CB . 26792 1 90 . 1 1 32 32 THR N N 15 123.9 0.2 . 1 . . . . 61 THR N . 26792 1 91 . 1 1 33 33 ASP H H 1 8.61 0.02 . 1 . . . . 62 ASP H . 26792 1 92 . 1 1 33 33 ASP CA C 13 48.0 0.2 . 1 . . . . 62 ASP CA . 26792 1 93 . 1 1 33 33 ASP CB C 13 37.7 0.2 . 1 . . . . 62 ASP CB . 26792 1 94 . 1 1 33 33 ASP N N 15 124.9 0.2 . 1 . . . . 62 ASP N . 26792 1 95 . 1 1 34 34 GLN H H 1 8.79 0.02 . 1 . . . . 63 GLN H . 26792 1 96 . 1 1 34 34 GLN CA C 13 51.6 0.2 . 1 . . . . 63 GLN CA . 26792 1 97 . 1 1 34 34 GLN CB C 13 24.9 0.2 . 1 . . . . 63 GLN CB . 26792 1 98 . 1 1 34 34 GLN N N 15 124.2 0.2 . 1 . . . . 63 GLN N . 26792 1 99 . 1 1 35 35 SER H H 1 8.57 0.02 . 1 . . . . 64 SER H . 26792 1 100 . 1 1 35 35 SER CA C 13 54.8 0.2 . 1 . . . . 64 SER CA . 26792 1 101 . 1 1 35 35 SER CB C 13 60.8 0.2 . 1 . . . . 64 SER CB . 26792 1 102 . 1 1 35 35 SER N N 15 116.5 0.2 . 1 . . . . 64 SER N . 26792 1 103 . 1 1 36 36 GLY H H 1 8.01 0.02 . 1 . . . . 65 GLY H . 26792 1 104 . 1 1 36 36 GLY CA C 13 41.5 0.2 . 1 . . . . 65 GLY CA . 26792 1 105 . 1 1 36 36 GLY N N 15 111.5 0.2 . 1 . . . . 65 GLY N . 26792 1 106 . 1 1 37 37 GLY H H 1 8.43 0.02 . 1 . . . . 66 GLY H . 26792 1 107 . 1 1 37 37 GLY CA C 13 40.7 0.2 . 1 . . . . 66 GLY CA . 26792 1 108 . 1 1 37 37 GLY N N 15 109.1 0.2 . 1 . . . . 66 GLY N . 26792 1 109 . 1 1 38 38 ALA H H 1 7.60 0.02 . 1 . . . . 67 ALA H . 26792 1 110 . 1 1 38 38 ALA CA C 13 47.9 0.2 . 1 . . . . 67 ALA CA . 26792 1 111 . 1 1 38 38 ALA CB C 13 15.0 0.2 . 1 . . . . 67 ALA CB . 26792 1 112 . 1 1 38 38 ALA N N 15 123.9 0.2 . 1 . . . . 67 ALA N . 26792 1 113 . 1 1 39 39 GLY H H 1 8.33 0.02 . 1 . . . . 68 GLY H . 26792 1 114 . 1 1 39 39 GLY CA C 13 41.4 0.2 . 1 . . . . 68 GLY CA . 26792 1 115 . 1 1 39 39 GLY N N 15 106.2 0.2 . 1 . . . . 68 GLY N . 26792 1 116 . 1 1 40 40 GLY H H 1 8.11 0.02 . 1 . . . . 69 GLY H . 26792 1 117 . 1 1 40 40 GLY CA C 13 41.3 0.2 . 1 . . . . 69 GLY CA . 26792 1 118 . 1 1 40 40 GLY N N 15 107.9 0.2 . 1 . . . . 69 GLY N . 26792 1 119 . 1 1 41 41 LEU H H 1 7.25 0.02 . 1 . . . . 70 LEU H . 26792 1 120 . 1 1 41 41 LEU CA C 13 50.6 0.2 . 1 . . . . 70 LEU CA . 26792 1 121 . 1 1 41 41 LEU CB C 13 39.1 0.2 . 1 . . . . 70 LEU CB . 26792 1 122 . 1 1 41 41 LEU N N 15 120.4 0.2 . 1 . . . . 70 LEU N . 26792 1 123 . 1 1 42 42 ARG H H 1 8.43 0.02 . 1 . . . . 71 ARG H . 26792 1 124 . 1 1 42 42 ARG CA C 13 50.5 0.2 . 1 . . . . 71 ARG CA . 26792 1 125 . 1 1 42 42 ARG CB C 13 30.2 0.2 . 1 . . . . 71 ARG CB . 26792 1 126 . 1 1 42 42 ARG N N 15 124.5 0.2 . 1 . . . . 71 ARG N . 26792 1 127 . 1 1 43 43 THR H H 1 8.90 0.02 . 1 . . . . 72 THR H . 26792 1 128 . 1 1 43 43 THR CA C 13 57.2 0.2 . 1 . . . . 72 THR CA . 26792 1 129 . 1 1 43 43 THR CB C 13 65.6 0.2 . 1 . . . . 72 THR CB . 26792 1 130 . 1 1 43 43 THR N N 15 120.3 0.2 . 1 . . . . 72 THR N . 26792 1 131 . 1 1 44 44 HIS H H 1 9.03 0.02 . 1 . . . . 73 HIS H . 26792 1 132 . 1 1 44 44 HIS CA C 13 49.0 0.2 . 1 . . . . 73 HIS CA . 26792 1 133 . 1 1 44 44 HIS CB C 13 29.2 0.2 . 1 . . . . 73 HIS CB . 26792 1 134 . 1 1 44 44 HIS N N 15 124.7 0.2 . 1 . . . . 73 HIS N . 26792 1 135 . 1 1 45 45 LEU H H 1 8.41 0.02 . 1 . . . . 74 LEU H . 26792 1 136 . 1 1 45 45 LEU CA C 13 48.4 0.2 . 1 . . . . 74 LEU CA . 26792 1 137 . 1 1 45 45 LEU CB C 13 41.2 0.2 . 1 . . . . 74 LEU CB . 26792 1 138 . 1 1 45 45 LEU N N 15 126.5 0.2 . 1 . . . . 74 LEU N . 26792 1 139 . 1 1 46 46 LYS H H 1 8.81 0.02 . 1 . . . . 75 LYS H . 26792 1 140 . 1 1 46 46 LYS CA C 13 51.3 0.2 . 1 . . . . 75 LYS CA . 26792 1 141 . 1 1 46 46 LYS CB C 13 32.5 0.2 . 1 . . . . 75 LYS CB . 26792 1 142 . 1 1 46 46 LYS N N 15 130.5 0.2 . 1 . . . . 75 LYS N . 26792 1 143 . 1 1 47 47 ILE H H 1 9.02 0.02 . 1 . . . . 76 ILE H . 26792 1 144 . 1 1 47 47 ILE CA C 13 55.4 0.2 . 1 . . . . 76 ILE CA . 26792 1 145 . 1 1 47 47 ILE CB C 13 34.2 0.2 . 1 . . . . 76 ILE CB . 26792 1 146 . 1 1 47 47 ILE N N 15 127.6 0.2 . 1 . . . . 76 ILE N . 26792 1 147 . 1 1 48 48 THR H H 1 8.85 0.02 . 1 . . . . 77 THR H . 26792 1 148 . 1 1 48 48 THR CA C 13 54.0 0.2 . 1 . . . . 77 THR CA . 26792 1 149 . 1 1 48 48 THR CB C 13 67.9 0.2 . 1 . . . . 77 THR CB . 26792 1 150 . 1 1 48 48 THR N N 15 118.3 0.2 . 1 . . . . 77 THR N . 26792 1 151 . 1 1 49 49 ASP H H 1 7.59 0.02 . 1 . . . . 78 ASP H . 26792 1 152 . 1 1 49 49 ASP CA C 13 47.4 0.2 . 1 . . . . 78 ASP CA . 26792 1 153 . 1 1 49 49 ASP CB C 13 36.8 0.2 . 1 . . . . 78 ASP CB . 26792 1 154 . 1 1 49 49 ASP N N 15 118.3 0.2 . 1 . . . . 78 ASP N . 26792 1 155 . 1 1 50 50 SER CA C 13 56.6 0.2 . 1 . . . . 79 SER CA . 26792 1 156 . 1 1 50 50 SER CB C 13 58.1 0.2 . 1 . . . . 79 SER CB . 26792 1 157 . 1 1 51 51 ALA H H 1 7.57 0.02 . 1 . . . . 80 ALA H . 26792 1 158 . 1 1 51 51 ALA CA C 13 46.7 0.2 . 1 . . . . 80 ALA CA . 26792 1 159 . 1 1 51 51 ALA CB C 13 14.6 0.2 . 1 . . . . 80 ALA CB . 26792 1 160 . 1 1 51 51 ALA N N 15 124.0 0.2 . 1 . . . . 80 ALA N . 26792 1 161 . 1 1 52 52 GLY H H 1 7.70 0.02 . 1 . . . . 81 GLY H . 26792 1 162 . 1 1 52 52 GLY CA C 13 40.2 0.2 . 1 . . . . 81 GLY CA . 26792 1 163 . 1 1 52 52 GLY N N 15 106.5 0.2 . 1 . . . . 81 GLY N . 26792 1 164 . 1 1 53 53 HIS H H 1 8.52 0.02 . 1 . . . . 82 HIS H . 26792 1 165 . 1 1 53 53 HIS CA C 13 51.3 0.2 . 1 . . . . 82 HIS CA . 26792 1 166 . 1 1 53 53 HIS CB C 13 23.2 0.2 . 1 . . . . 82 HIS CB . 26792 1 167 . 1 1 53 53 HIS N N 15 121.1 0.2 . 1 . . . . 82 HIS N . 26792 1 168 . 1 1 54 54 ILE H H 1 8.47 0.02 . 1 . . . . 83 ILE H . 26792 1 169 . 1 1 54 54 ILE CA C 13 56.9 0.2 . 1 . . . . 83 ILE CA . 26792 1 170 . 1 1 54 54 ILE CB C 13 32.7 0.2 . 1 . . . . 83 ILE CB . 26792 1 171 . 1 1 54 54 ILE N N 15 118.2 0.2 . 1 . . . . 83 ILE N . 26792 1 172 . 1 1 55 55 LEU H H 1 8.30 0.02 . 1 . . . . 84 LEU H . 26792 1 173 . 1 1 55 55 LEU CA C 13 50.2 0.2 . 1 . . . . 84 LEU CA . 26792 1 174 . 1 1 55 55 LEU CB C 13 37.3 0.2 . 1 . . . . 84 LEU CB . 26792 1 175 . 1 1 55 55 LEU N N 15 125.9 0.2 . 1 . . . . 84 LEU N . 26792 1 176 . 1 1 56 56 TYR H H 1 7.12 0.02 . 1 . . . . 85 TYR H . 26792 1 177 . 1 1 56 56 TYR CA C 13 53.8 0.2 . 1 . . . . 85 TYR CA . 26792 1 178 . 1 1 56 56 TYR CB C 13 36.4 0.2 . 1 . . . . 85 TYR CB . 26792 1 179 . 1 1 56 56 TYR N N 15 116.8 0.2 . 1 . . . . 85 TYR N . 26792 1 180 . 1 1 57 57 ALA H H 1 7.25 0.02 . 1 . . . . 86 ALA H . 26792 1 181 . 1 1 57 57 ALA CA C 13 46.4 0.2 . 1 . . . . 86 ALA CA . 26792 1 182 . 1 1 57 57 ALA CB C 13 17.7 0.2 . 1 . . . . 86 ALA CB . 26792 1 183 . 1 1 57 57 ALA N N 15 128.4 0.2 . 1 . . . . 86 ALA N . 26792 1 184 . 1 1 58 58 LYS H H 1 8.48 0.02 . 1 . . . . 87 LYS H . 26792 1 185 . 1 1 58 58 LYS CA C 13 50.2 0.2 . 1 . . . . 87 LYS CA . 26792 1 186 . 1 1 58 58 LYS CB C 13 31.3 0.2 . 1 . . . . 87 LYS CB . 26792 1 187 . 1 1 58 58 LYS N N 15 121.0 0.2 . 1 . . . . 87 LYS N . 26792 1 188 . 1 1 59 59 GLU H H 1 8.64 0.02 . 1 . . . . 88 GLU H . 26792 1 189 . 1 1 59 59 GLU CA C 13 51.1 0.2 . 1 . . . . 88 GLU CA . 26792 1 190 . 1 1 59 59 GLU CB C 13 25.9 0.2 . 1 . . . . 88 GLU CB . 26792 1 191 . 1 1 59 59 GLU N N 15 128.4 0.2 . 1 . . . . 88 GLU N . 26792 1 192 . 1 1 60 60 ASP H H 1 9.21 0.02 . 1 . . . . 89 ASP H . 26792 1 193 . 1 1 60 60 ASP CA C 13 50.1 0.2 . 1 . . . . 89 ASP CA . 26792 1 194 . 1 1 60 60 ASP CB C 13 34.5 0.2 . 1 . . . . 89 ASP CB . 26792 1 195 . 1 1 60 60 ASP N N 15 123.0 0.2 . 1 . . . . 89 ASP N . 26792 1 196 . 1 1 61 61 ALA H H 1 8.57 0.02 . 1 . . . . 90 ALA H . 26792 1 197 . 1 1 61 61 ALA CA C 13 47.7 0.2 . 1 . . . . 90 ALA CA . 26792 1 198 . 1 1 61 61 ALA CB C 13 14.7 0.2 . 1 . . . . 90 ALA CB . 26792 1 199 . 1 1 61 61 ALA N N 15 122.6 0.2 . 1 . . . . 90 ALA N . 26792 1 200 . 1 1 62 62 THR H H 1 8.96 0.02 . 1 . . . . 91 THR H . 26792 1 201 . 1 1 62 62 THR CA C 13 56.8 0.2 . 1 . . . . 91 THR CA . 26792 1 202 . 1 1 62 62 THR CB C 13 66.3 0.2 . 1 . . . . 91 THR CB . 26792 1 203 . 1 1 62 62 THR N N 15 113.3 0.2 . 1 . . . . 91 THR N . 26792 1 204 . 1 1 63 63 LYS H H 1 8.25 0.02 . 1 . . . . 92 LYS H . 26792 1 205 . 1 1 63 63 LYS CA C 13 49.6 0.2 . 1 . . . . 92 LYS CA . 26792 1 206 . 1 1 63 63 LYS CB C 13 30.8 0.2 . 1 . . . . 92 LYS CB . 26792 1 207 . 1 1 63 63 LYS N N 15 120.7 0.2 . 1 . . . . 92 LYS N . 26792 1 208 . 1 1 64 64 GLY H H 1 7.13 0.02 . 1 . . . . 93 GLY H . 26792 1 209 . 1 1 64 64 GLY CA C 13 40.8 0.2 . 1 . . . . 93 GLY CA . 26792 1 210 . 1 1 64 64 GLY N N 15 111.0 0.2 . 1 . . . . 93 GLY N . 26792 1 211 . 1 1 65 65 LYS H H 1 8.23 0.02 . 1 . . . . 94 LYS H . 26792 1 212 . 1 1 65 65 LYS CA C 13 49.6 0.2 . 1 . . . . 94 LYS CA . 26792 1 213 . 1 1 65 65 LYS CB C 13 32.7 0.2 . 1 . . . . 94 LYS CB . 26792 1 214 . 1 1 65 65 LYS N N 15 118.1 0.2 . 1 . . . . 94 LYS N . 26792 1 215 . 1 1 66 66 PHE H H 1 7.97 0.02 . 1 . . . . 95 PHE H . 26792 1 216 . 1 1 66 66 PHE CA C 13 50.8 0.2 . 1 . . . . 95 PHE CA . 26792 1 217 . 1 1 66 66 PHE CB C 13 37.3 0.2 . 1 . . . . 95 PHE CB . 26792 1 218 . 1 1 66 66 PHE N N 15 115.1 0.2 . 1 . . . . 95 PHE N . 26792 1 219 . 1 1 67 67 ALA H H 1 8.09 0.02 . 1 . . . . 96 ALA H . 26792 1 220 . 1 1 67 67 ALA CA C 13 46.9 0.2 . 1 . . . . 96 ALA CA . 26792 1 221 . 1 1 67 67 ALA N N 15 121.3 0.2 . 1 . . . . 96 ALA N . 26792 1 222 . 1 1 69 69 THR CA C 13 55.6 0.2 . 1 . . . . 98 THR CA . 26792 1 223 . 1 1 69 69 THR CB C 13 65.6 0.2 . 1 . . . . 98 THR CB . 26792 1 224 . 1 1 70 70 THR H H 1 8.87 0.02 . 1 . . . . 99 THR H . 26792 1 225 . 1 1 70 70 THR CA C 13 56.3 0.2 . 1 . . . . 99 THR CA . 26792 1 226 . 1 1 70 70 THR CB C 13 65.4 0.2 . 1 . . . . 99 THR CB . 26792 1 227 . 1 1 70 70 THR N N 15 116.8 0.2 . 1 . . . . 99 THR N . 26792 1 228 . 1 1 78 78 VAL CA C 13 56.1 0.2 . 1 . . . . 107 VAL CA . 26792 1 229 . 1 1 78 78 VAL CB C 13 28.3 0.2 . 1 . . . . 107 VAL CB . 26792 1 230 . 1 1 79 79 CYS H H 1 8.76 0.02 . 1 . . . . 108 CYS H . 26792 1 231 . 1 1 79 79 CYS CA C 13 50.5 0.2 . 1 . . . . 108 CYS CA . 26792 1 232 . 1 1 79 79 CYS CB C 13 43.1 0.2 . 1 . . . . 108 CYS CB . 26792 1 233 . 1 1 79 79 CYS N N 15 122.1 0.2 . 1 . . . . 108 CYS N . 26792 1 234 . 1 1 80 80 PHE H H 1 8.93 0.02 . 1 . . . . 109 PHE H . 26792 1 235 . 1 1 80 80 PHE CA C 13 51.2 0.2 . 1 . . . . 109 PHE CA . 26792 1 236 . 1 1 80 80 PHE CB C 13 38.6 0.2 . 1 . . . . 109 PHE CB . 26792 1 237 . 1 1 80 80 PHE N N 15 121.2 0.2 . 1 . . . . 109 PHE N . 26792 1 238 . 1 1 81 81 GLU H H 1 8.70 0.02 . 1 . . . . 110 GLU H . 26792 1 239 . 1 1 81 81 GLU CA C 13 49.8 0.2 . 1 . . . . 110 GLU CA . 26792 1 240 . 1 1 81 81 GLU CB C 13 29.1 0.2 . 1 . . . . 110 GLU CB . 26792 1 241 . 1 1 81 81 GLU N N 15 121.2 0.2 . 1 . . . . 110 GLU N . 26792 1 242 . 1 1 82 82 SER H H 1 8.84 0.02 . 1 . . . . 111 SER H . 26792 1 243 . 1 1 82 82 SER CA C 13 50.2 0.2 . 1 . . . . 111 SER CA . 26792 1 244 . 1 1 82 82 SER CB C 13 63.3 0.2 . 1 . . . . 111 SER CB . 26792 1 245 . 1 1 82 82 SER N N 15 121.0 0.2 . 1 . . . . 111 SER N . 26792 1 246 . 1 1 83 83 LYS H H 1 8.58 0.02 . 1 . . . . 112 LYS H . 26792 1 247 . 1 1 83 83 LYS CA C 13 50.0 0.2 . 1 . . . . 112 LYS CA . 26792 1 248 . 1 1 83 83 LYS CB C 13 32.0 0.2 . 1 . . . . 112 LYS CB . 26792 1 249 . 1 1 83 83 LYS N N 15 121.1 0.2 . 1 . . . . 112 LYS N . 26792 1 250 . 1 1 84 84 GLY H H 1 8.42 0.02 . 1 . . . . 113 GLY H . 26792 1 251 . 1 1 84 84 GLY CA C 13 40.5 0.2 . 1 . . . . 113 GLY CA . 26792 1 252 . 1 1 84 84 GLY N N 15 110.3 0.2 . 1 . . . . 113 GLY N . 26792 1 253 . 1 1 85 85 THR H H 1 8.43 0.02 . 1 . . . . 114 THR H . 26792 1 254 . 1 1 85 85 THR CA C 13 56.7 0.2 . 1 . . . . 114 THR CA . 26792 1 255 . 1 1 85 85 THR CB C 13 66.5 0.2 . 1 . . . . 114 THR CB . 26792 1 256 . 1 1 85 85 THR N N 15 114.5 0.2 . 1 . . . . 114 THR N . 26792 1 257 . 1 1 86 86 GLY H H 1 8.14 0.02 . 1 . . . . 115 GLY H . 26792 1 258 . 1 1 86 86 GLY CA C 13 39.4 0.2 . 1 . . . . 115 GLY CA . 26792 1 259 . 1 1 86 86 GLY N N 15 110.0 0.2 . 1 . . . . 115 GLY N . 26792 1 260 . 1 1 87 87 ARG H H 1 8.19 0.02 . 1 . . . . 116 ARG H . 26792 1 261 . 1 1 87 87 ARG CA C 13 50.8 0.2 . 1 . . . . 116 ARG CA . 26792 1 262 . 1 1 87 87 ARG CB C 13 24.3 0.2 . 1 . . . . 116 ARG CB . 26792 1 263 . 1 1 87 87 ARG N N 15 120.6 0.2 . 1 . . . . 116 ARG N . 26792 1 264 . 1 1 88 88 ILE H H 1 7.15 0.02 . 1 . . . . 117 ILE H . 26792 1 265 . 1 1 88 88 ILE CA C 13 53.3 0.2 . 1 . . . . 117 ILE CA . 26792 1 266 . 1 1 88 88 ILE CB C 13 36.3 0.2 . 1 . . . . 117 ILE CB . 26792 1 267 . 1 1 88 88 ILE N N 15 123.0 0.2 . 1 . . . . 117 ILE N . 26792 1 268 . 1 1 89 89 PRO CA C 13 57.9 0.2 . 1 . . . . 118 PRO CA . 26792 1 269 . 1 1 89 89 PRO CB C 13 28.0 0.2 . 1 . . . . 118 PRO CB . 26792 1 270 . 1 1 90 90 ASP H H 1 8.27 0.02 . 1 . . . . 119 ASP H . 26792 1 271 . 1 1 90 90 ASP CA C 13 50.2 0.2 . 1 . . . . 119 ASP CA . 26792 1 272 . 1 1 90 90 ASP CB C 13 36.5 0.2 . 1 . . . . 119 ASP CB . 26792 1 273 . 1 1 90 90 ASP N N 15 121.1 0.2 . 1 . . . . 119 ASP N . 26792 1 274 . 1 1 91 91 GLN H H 1 7.44 0.02 . 1 . . . . 120 GLN H . 26792 1 275 . 1 1 91 91 GLN CA C 13 50.7 0.2 . 1 . . . . 120 GLN CA . 26792 1 276 . 1 1 91 91 GLN CB C 13 28.6 0.2 . 1 . . . . 120 GLN CB . 26792 1 277 . 1 1 91 91 GLN N N 15 117.9 0.2 . 1 . . . . 120 GLN N . 26792 1 278 . 1 1 92 92 LEU H H 1 8.16 0.02 . 1 . . . . 121 LEU H . 26792 1 279 . 1 1 92 92 LEU CA C 13 49.2 0.2 . 1 . . . . 121 LEU CA . 26792 1 280 . 1 1 92 92 LEU CB C 13 39.1 0.2 . 1 . . . . 121 LEU CB . 26792 1 281 . 1 1 92 92 LEU N N 15 123.6 0.2 . 1 . . . . 121 LEU N . 26792 1 282 . 1 1 93 93 VAL H H 1 8.51 0.02 . 1 . . . . 122 VAL H . 26792 1 283 . 1 1 93 93 VAL CA C 13 56.2 0.2 . 1 . . . . 122 VAL CA . 26792 1 284 . 1 1 93 93 VAL CB C 13 28.1 0.2 . 1 . . . . 122 VAL CB . 26792 1 285 . 1 1 93 93 VAL N N 15 127.9 0.2 . 1 . . . . 122 VAL N . 26792 1 286 . 1 1 94 94 ILE H H 1 8.18 0.02 . 1 . . . . 123 ILE H . 26792 1 287 . 1 1 94 94 ILE CA C 13 55.3 0.2 . 1 . . . . 123 ILE CA . 26792 1 288 . 1 1 94 94 ILE CB C 13 36.1 0.2 . 1 . . . . 123 ILE CB . 26792 1 289 . 1 1 94 94 ILE N N 15 124.5 0.2 . 1 . . . . 123 ILE N . 26792 1 290 . 1 1 95 95 LEU H H 1 8.77 0.02 . 1 . . . . 124 LEU H . 26792 1 291 . 1 1 95 95 LEU CA C 13 48.9 0.2 . 1 . . . . 124 LEU CA . 26792 1 292 . 1 1 95 95 LEU CB C 13 41.8 0.2 . 1 . . . . 124 LEU CB . 26792 1 293 . 1 1 95 95 LEU N N 15 126.2 0.2 . 1 . . . . 124 LEU N . 26792 1 294 . 1 1 96 96 ASP H H 1 8.95 0.02 . 1 . . . . 125 ASP H . 26792 1 295 . 1 1 96 96 ASP CA C 13 48.5 0.2 . 1 . . . . 125 ASP CA . 26792 1 296 . 1 1 96 96 ASP CB C 13 39.3 0.2 . 1 . . . . 125 ASP CB . 26792 1 297 . 1 1 96 96 ASP N N 15 126.9 0.2 . 1 . . . . 125 ASP N . 26792 1 298 . 1 1 97 97 MET H H 1 8.47 0.02 . 1 . . . . 126 MET H . 26792 1 299 . 1 1 97 97 MET CA C 13 50.0 0.2 . 1 . . . . 126 MET CA . 26792 1 300 . 1 1 97 97 MET CB C 13 39.2 0.2 . 1 . . . . 126 MET CB . 26792 1 301 . 1 1 97 97 MET N N 15 123.4 0.2 . 1 . . . . 126 MET N . 26792 1 302 . 1 1 98 98 LYS H H 1 8.96 0.02 . 1 . . . . 127 LYS H . 26792 1 303 . 1 1 98 98 LYS CA C 13 50.2 0.2 . 1 . . . . 127 LYS CA . 26792 1 304 . 1 1 98 98 LYS CB C 13 31.4 0.2 . 1 . . . . 127 LYS CB . 26792 1 305 . 1 1 98 98 LYS N N 15 124.3 0.2 . 1 . . . . 127 LYS N . 26792 1 306 . 1 1 99 99 HIS H H 1 8.21 0.02 . 1 . . . . 128 HIS H . 26792 1 307 . 1 1 99 99 HIS CA C 13 49.2 0.2 . 1 . . . . 128 HIS CA . 26792 1 308 . 1 1 99 99 HIS CB C 13 26.8 0.2 . 1 . . . . 128 HIS CB . 26792 1 309 . 1 1 99 99 HIS N N 15 117.4 0.2 . 1 . . . . 128 HIS N . 26792 1 310 . 1 1 100 100 GLY H H 1 8.67 0.02 . 1 . . . . 129 GLY H . 26792 1 311 . 1 1 100 100 GLY CA C 13 40.6 0.2 . 1 . . . . 129 GLY CA . 26792 1 312 . 1 1 100 100 GLY N N 15 109.7 0.2 . 1 . . . . 129 GLY N . 26792 1 313 . 1 1 101 101 VAL H H 1 7.99 0.02 . 1 . . . . 130 VAL H . 26792 1 314 . 1 1 101 101 VAL CA C 13 57.1 0.2 . 1 . . . . 130 VAL CA . 26792 1 315 . 1 1 101 101 VAL CB C 13 28.5 0.2 . 1 . . . . 130 VAL CB . 26792 1 316 . 1 1 101 101 VAL N N 15 118.1 0.2 . 1 . . . . 130 VAL N . 26792 1 317 . 1 1 102 102 GLU H H 1 8.23 0.02 . 1 . . . . 131 GLU H . 26792 1 318 . 1 1 102 102 GLU CA C 13 51.7 0.2 . 1 . . . . 131 GLU CA . 26792 1 319 . 1 1 102 102 GLU CB C 13 25.9 0.2 . 1 . . . . 131 GLU CB . 26792 1 320 . 1 1 102 102 GLU N N 15 124.1 0.2 . 1 . . . . 131 GLU N . 26792 1 321 . 1 1 103 103 ALA H H 1 7.77 0.02 . 1 . . . . 132 ALA H . 26792 1 322 . 1 1 103 103 ALA CA C 13 49.0 0.2 . 1 . . . . 132 ALA CA . 26792 1 323 . 1 1 103 103 ALA CB C 13 15.8 0.2 . 1 . . . . 132 ALA CB . 26792 1 324 . 1 1 103 103 ALA N N 15 130.8 0.2 . 1 . . . . 132 ALA N . 26792 1 stop_ save_