################################### # 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 50034 _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 $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' . . . 50034 1 2 '3D CBCA(CO)NH' . . . 50034 1 3 '3D HNCACB' . . . 50034 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 52 52 ALA H H 1 7.9700 0.0000 . 1 . . . . . 50 ALA H . 50034 1 2 . 1 . 1 52 52 ALA CA C 13 50.7800 0.0000 . 1 . . . . . 50 ALA CA . 50034 1 3 . 1 . 1 52 52 ALA CB C 13 18.1900 0.0000 . 1 . . . . . 50 ALA CB . 50034 1 4 . 1 . 1 52 52 ALA N N 15 124.1900 0.0000 . 1 . . . . . 50 ALA N . 50034 1 5 . 1 . 1 53 53 PRO CA C 13 63.9600 0.0000 . 1 . . . . . 51 PRO CA . 50034 1 6 . 1 . 1 53 53 PRO CB C 13 31.8400 0.0000 . 1 . . . . . 51 PRO CB . 50034 1 7 . 1 . 1 54 54 GLY H H 1 8.5590 0.0000 . 1 . . . . . 52 GLY H . 50034 1 8 . 1 . 1 54 54 GLY CA C 13 45.6000 0.0000 . 1 . . . . . 52 GLY CA . 50034 1 9 . 1 . 1 54 54 GLY N N 15 109.2900 0.0000 . 1 . . . . . 52 GLY N . 50034 1 10 . 1 . 1 55 55 SER H H 1 7.7700 0.0000 . 1 . . . . . 53 SER H . 50034 1 11 . 1 . 1 55 55 SER CA C 13 59.3500 0.0000 . 1 . . . . . 53 SER CA . 50034 1 12 . 1 . 1 55 55 SER CB C 13 63.9600 0.0000 . 1 . . . . . 53 SER CB . 50034 1 13 . 1 . 1 55 55 SER N N 15 114.7400 0.0000 . 1 . . . . . 53 SER N . 50034 1 14 . 1 . 1 56 56 ALA H H 1 7.8590 0.0000 . 1 . . . . . 54 ALA H . 50034 1 15 . 1 . 1 56 56 ALA CA C 13 52.0400 0.0000 . 1 . . . . . 54 ALA CA . 50034 1 16 . 1 . 1 56 56 ALA CB C 13 17.0400 0.0000 . 1 . . . . . 54 ALA CB . 50034 1 17 . 1 . 1 56 56 ALA N N 15 126.4800 0.0000 . 1 . . . . . 54 ALA N . 50034 1 18 . 1 . 1 57 57 GLN H H 1 7.8600 0.0000 . 1 . . . . . 55 GLN H . 50034 1 19 . 1 . 1 57 57 GLN CA C 13 55.0200 0.0000 . 1 . . . . . 55 GLN CA . 50034 1 20 . 1 . 1 57 57 GLN CB C 13 36.7500 0.0000 . 1 . . . . . 55 GLN CB . 50034 1 21 . 1 . 1 57 57 GLN N N 15 122.4200 0.0000 . 1 . . . . . 55 GLN N . 50034 1 22 . 1 . 1 58 58 VAL H H 1 9.1060 0.0000 . 1 . . . . . 56 VAL H . 50034 1 23 . 1 . 1 58 58 VAL CA C 13 59.0600 0.0000 . 1 . . . . . 56 VAL CA . 50034 1 24 . 1 . 1 58 58 VAL CB C 13 36.2700 0.0000 . 1 . . . . . 56 VAL CB . 50034 1 25 . 1 . 1 58 58 VAL N N 15 110.7500 0.0000 . 1 . . . . . 56 VAL N . 50034 1 26 . 1 . 1 59 59 ALA H H 1 9.3400 0.0000 . 1 . . . . . 57 ALA H . 50034 1 27 . 1 . 1 59 59 ALA CA C 13 51.4600 0.0000 . 1 . . . . . 57 ALA CA . 50034 1 28 . 1 . 1 59 59 ALA CB C 13 23.2900 0.0000 . 1 . . . . . 57 ALA CB . 50034 1 29 . 1 . 1 59 59 ALA N N 15 123.2900 0.0000 . 1 . . . . . 57 ALA N . 50034 1 30 . 1 . 1 60 60 GLY H H 1 8.3780 0.0000 . 1 . . . . . 58 GLY H . 50034 1 31 . 1 . 1 60 60 GLY CA C 13 45.5000 0.0000 . 1 . . . . . 58 GLY CA . 50034 1 32 . 1 . 1 60 60 GLY N N 15 107.8200 0.0000 . 1 . . . . . 58 GLY N . 50034 1 33 . 1 . 1 61 61 LEU H H 1 8.3230 0.0000 . 1 . . . . . 59 LEU H . 50034 1 34 . 1 . 1 61 61 LEU CA C 13 53.8500 0.0000 . 1 . . . . . 59 LEU CA . 50034 1 35 . 1 . 1 61 61 LEU CB C 13 46.0500 0.0000 . 1 . . . . . 59 LEU CB . 50034 1 36 . 1 . 1 61 61 LEU N N 15 121.6800 0.0000 . 1 . . . . . 59 LEU N . 50034 1 37 . 1 . 1 62 62 CYS H H 1 8.1040 0.0000 . 1 . . . . . 60 CYS H . 50034 1 38 . 1 . 1 62 62 CYS CA C 13 55.9800 0.0000 . 1 . . . . . 60 CYS CA . 50034 1 39 . 1 . 1 62 62 CYS CB C 13 39.1900 0.0000 . 1 . . . . . 60 CYS CB . 50034 1 40 . 1 . 1 62 62 CYS N N 15 118.6200 0.0000 . 1 . . . . . 60 CYS N . 50034 1 41 . 1 . 1 63 63 GLY H H 1 8.2580 0.0000 . 1 . . . . . 61 GLY H . 50034 1 42 . 1 . 1 63 63 GLY CA C 13 45.8200 0.0000 . 1 . . . . . 61 GLY CA . 50034 1 43 . 1 . 1 63 63 GLY N N 15 109.3180 0.0000 . 1 . . . . . 61 GLY N . 50034 1 44 . 1 . 1 64 64 ARG H H 1 8.1300 0.0000 . 1 . . . . . 62 ARG H . 50034 1 45 . 1 . 1 64 64 ARG CA C 13 53.1900 0.0000 . 1 . . . . . 62 ARG CA . 50034 1 46 . 1 . 1 64 64 ARG CB C 13 30.9700 0.0000 . 1 . . . . . 62 ARG CB . 50034 1 47 . 1 . 1 64 64 ARG N N 15 121.8000 0.0000 . 1 . . . . . 62 ARG N . 50034 1 48 . 1 . 1 65 65 LEU H H 1 8.5700 0.0000 . 1 . . . . . 63 LEU H . 50034 1 49 . 1 . 1 65 65 LEU CA C 13 56.1700 0.0000 . 1 . . . . . 63 LEU CA . 50034 1 50 . 1 . 1 65 65 LEU CB C 13 42.9000 0.0000 . 1 . . . . . 63 LEU CB . 50034 1 51 . 1 . 1 65 65 LEU N N 15 122.5700 0.0000 . 1 . . . . . 63 LEU N . 50034 1 52 . 1 . 1 66 66 THR H H 1 8.8300 0.0000 . 1 . . . . . 64 THR H . 50034 1 53 . 1 . 1 66 66 THR CA C 13 63.9200 0.0000 . 1 . . . . . 64 THR CA . 50034 1 54 . 1 . 1 66 66 THR CB C 13 69.2800 0.0000 . 1 . . . . . 64 THR CB . 50034 1 55 . 1 . 1 66 66 THR N N 15 121.9300 0.0000 . 1 . . . . . 64 THR N . 50034 1 56 . 1 . 1 67 67 LEU H H 1 9.3400 0.0000 . 1 . . . . . 65 LEU H . 50034 1 57 . 1 . 1 67 67 LEU CA C 13 54.0500 0.0000 . 1 . . . . . 65 LEU CA . 50034 1 58 . 1 . 1 67 67 LEU CB C 13 47.3500 0.0000 . 1 . . . . . 65 LEU CB . 50034 1 59 . 1 . 1 67 67 LEU N N 15 127.9500 0.0000 . 1 . . . . . 65 LEU N . 50034 1 60 . 1 . 1 68 68 HIS H H 1 9.0700 0.0000 . 1 . . . . . 66 HIS H . 50034 1 61 . 1 . 1 68 68 HIS CA C 13 54.5400 0.0000 . 1 . . . . . 66 HIS CA . 50034 1 62 . 1 . 1 68 68 HIS CB C 13 31.1600 0.0000 . 1 . . . . . 66 HIS CB . 50034 1 63 . 1 . 1 68 68 HIS N N 15 113.6200 0.0000 . 1 . . . . . 66 HIS N . 50034 1 64 . 1 . 1 69 69 ARG H H 1 8.1100 0.0000 . 1 . . . . . 67 ARG H . 50034 1 65 . 1 . 1 69 69 ARG CA C 13 55.4900 0.0000 . 1 . . . . . 67 ARG CA . 50034 1 66 . 1 . 1 69 69 ARG CB C 13 30.4000 0.0000 . 1 . . . . . 67 ARG CB . 50034 1 67 . 1 . 1 69 69 ARG N N 15 122.2700 0.0000 . 1 . . . . . 67 ARG N . 50034 1 68 . 1 . 1 70 70 ASP H H 1 9.0100 0.0000 . 1 . . . . . 68 ASP H . 50034 1 69 . 1 . 1 70 70 ASP CA C 13 54.7300 0.0000 . 1 . . . . . 68 ASP CA . 50034 1 70 . 1 . 1 70 70 ASP CB C 13 43.1900 0.0000 . 1 . . . . . 68 ASP CB . 50034 1 71 . 1 . 1 70 70 ASP N N 15 130.3500 0.0000 . 1 . . . . . 68 ASP N . 50034 1 72 . 1 . 1 71 71 LEU H H 1 9.1400 0.0000 . 1 . . . . . 69 LEU H . 50034 1 73 . 1 . 1 71 71 LEU CA C 13 57.5000 0.0000 . 1 . . . . . 69 LEU CA . 50034 1 74 . 1 . 1 71 71 LEU CB C 13 41.5100 0.0000 . 1 . . . . . 69 LEU CB . 50034 1 75 . 1 . 1 71 71 LEU N N 15 127.7900 0.0000 . 1 . . . . . 69 LEU N . 50034 1 76 . 1 . 1 72 72 ARG H H 1 8.4900 0.0000 . 1 . . . . . 70 ARG H . 50034 1 77 . 1 . 1 72 72 ARG CA C 13 58.4800 0.0000 . 1 . . . . . 70 ARG CA . 50034 1 78 . 1 . 1 72 72 ARG CB C 13 30.6900 0.0000 . 1 . . . . . 70 ARG CB . 50034 1 79 . 1 . 1 72 72 ARG N N 15 116.7000 0.0000 . 1 . . . . . 70 ARG N . 50034 1 80 . 1 . 1 73 73 THR H H 1 8.1900 0.0000 . 1 . . . . . 71 THR H . 50034 1 81 . 1 . 1 73 73 THR CA C 13 61.9400 0.0000 . 1 . . . . . 71 THR CA . 50034 1 82 . 1 . 1 73 73 THR CB C 13 71.2900 0.0000 . 1 . . . . . 71 THR CB . 50034 1 83 . 1 . 1 73 73 THR N N 15 106.7000 0.0000 . 1 . . . . . 71 THR N . 50034 1 84 . 1 . 1 74 74 GLY H H 1 8.3400 0.0000 . 1 . . . . . 72 GLY H . 50034 1 85 . 1 . 1 74 74 GLY CA C 13 45.6900 0.0000 . 1 . . . . . 72 GLY CA . 50034 1 86 . 1 . 1 74 74 GLY N N 15 111.3500 0.0000 . 1 . . . . . 72 GLY N . 50034 1 87 . 1 . 1 75 75 ARG H H 1 7.6800 0.0000 . 1 . . . . . 73 ARG H . 50034 1 88 . 1 . 1 75 75 ARG CA C 13 56.0700 0.0000 . 1 . . . . . 73 ARG CA . 50034 1 89 . 1 . 1 75 75 ARG CB C 13 31.7500 0.0000 . 1 . . . . . 73 ARG CB . 50034 1 90 . 1 . 1 75 75 ARG N N 15 119.5500 0.0000 . 1 . . . . . 73 ARG N . 50034 1 91 . 1 . 1 76 76 TRP H H 1 8.4100 0.0000 . 1 . . . . . 74 TRP H . 50034 1 92 . 1 . 1 76 76 TRP CA C 13 56.9400 0.0000 . 1 . . . . . 74 TRP CA . 50034 1 93 . 1 . 1 76 76 TRP CB C 13 30.1100 0.0000 . 1 . . . . . 74 TRP CB . 50034 1 94 . 1 . 1 76 76 TRP N N 15 122.2600 0.0000 . 1 . . . . . 74 TRP N . 50034 1 95 . 1 . 1 77 77 GLU H H 1 8.9200 0.0000 . 1 . . . . . 75 GLU H . 50034 1 96 . 1 . 1 77 77 GLU CA C 13 53.2900 0.0000 . 1 . . . . . 75 GLU CA . 50034 1 97 . 1 . 1 77 77 GLU CB C 13 33.3800 0.0000 . 1 . . . . . 75 GLU CB . 50034 1 98 . 1 . 1 77 77 GLU N N 15 123.4800 0.0000 . 1 . . . . . 75 GLU N . 50034 1 99 . 1 . 1 78 78 PRO CA C 13 61.6500 0.0000 . 1 . . . . . 76 PRO CA . 50034 1 100 . 1 . 1 78 78 PRO CB C 13 33.1900 0.0000 . 1 . . . . . 76 PRO CB . 50034 1 101 . 1 . 1 79 79 ASP H H 1 9.0000 0.0000 . 1 . . . . . 77 ASP H . 50034 1 102 . 1 . 1 79 79 ASP CA C 13 52.0400 0.0000 . 1 . . . . . 77 ASP CA . 50034 1 103 . 1 . 1 79 79 ASP CB C 13 39.7300 0.0000 . 1 . . . . . 77 ASP CB . 50034 1 104 . 1 . 1 79 79 ASP N N 15 119.0500 0.0000 . 1 . . . . . 77 ASP N . 50034 1 105 . 1 . 1 80 80 PRO CA C 13 65.6000 0.0000 . 1 . . . . . 78 PRO CA . 50034 1 106 . 1 . 1 80 80 PRO CB C 13 31.8400 0.0000 . 1 . . . . . 78 PRO CB . 50034 1 107 . 1 . 1 81 81 GLN H H 1 7.7300 0.0000 . 1 . . . . . 79 GLN H . 50034 1 108 . 1 . 1 81 81 GLN CA C 13 56.5600 0.0000 . 1 . . . . . 79 GLN CA . 50034 1 109 . 1 . 1 81 81 GLN CB C 13 28.1000 0.0000 . 1 . . . . . 79 GLN CB . 50034 1 110 . 1 . 1 81 81 GLN N N 15 113.7900 0.0000 . 1 . . . . . 79 GLN N . 50034 1 111 . 1 . 1 82 82 ARG H H 1 8.6500 0.0000 . 1 . . . . . 80 ARG H . 50034 1 112 . 1 . 1 82 82 ARG CA C 13 56.3500 0.0000 . 1 . . . . . 80 ARG CA . 50034 1 113 . 1 . 1 82 82 ARG CB C 13 26.6600 0.0000 . 1 . . . . . 80 ARG CB . 50034 1 114 . 1 . 1 82 82 ARG N N 15 120.0500 0.0000 . 1 . . . . . 80 ARG N . 50034 1 115 . 1 . 1 83 83 SER H H 1 9.2300 0.0000 . 1 . . . . . 81 SER H . 50034 1 116 . 1 . 1 83 83 SER CA C 13 60.3100 0.0000 . 1 . . . . . 81 SER CA . 50034 1 117 . 1 . 1 83 83 SER CB C 13 63.6700 0.0000 . 1 . . . . . 81 SER CB . 50034 1 118 . 1 . 1 83 83 SER N N 15 115.6200 0.0000 . 1 . . . . . 81 SER N . 50034 1 119 . 1 . 1 84 84 ARG H H 1 8.5000 0.0000 . 1 . . . . . 82 ARG H . 50034 1 120 . 1 . 1 84 84 ARG CA C 13 54.7300 0.0000 . 1 . . . . . 82 ARG CA . 50034 1 121 . 1 . 1 84 84 ARG CB C 13 31.2700 0.0000 . 1 . . . . . 82 ARG CB . 50034 1 122 . 1 . 1 84 84 ARG N N 15 122.2800 0.0000 . 1 . . . . . 82 ARG N . 50034 1 123 . 1 . 1 85 85 ARG H H 1 7.8900 0.0000 . 1 . . . . . 83 ARG H . 50034 1 124 . 1 . 1 85 85 ARG CA C 13 55.4000 0.0000 . 1 . . . . . 83 ARG CA . 50034 1 125 . 1 . 1 85 85 ARG CB C 13 31.4600 0.0000 . 1 . . . . . 83 ARG CB . 50034 1 126 . 1 . 1 85 85 ARG N N 15 121.3300 0.0000 . 1 . . . . . 83 ARG N . 50034 1 127 . 1 . 1 86 86 CYS H H 1 8.8990 0.0000 . 1 . . . . . 84 CYS H . 50034 1 128 . 1 . 1 86 86 CYS CA C 13 58.8000 0.0000 . 1 . . . . . 84 CYS CA . 50034 1 129 . 1 . 1 86 86 CYS CB C 13 42.6600 0.0000 . 1 . . . . . 84 CYS CB . 50034 1 130 . 1 . 1 86 86 CYS N N 15 118.5120 0.0000 . 1 . . . . . 84 CYS N . 50034 1 131 . 1 . 1 87 87 LEU H H 1 8.4430 0.0000 . 1 . . . . . 85 LEU H . 50034 1 132 . 1 . 1 87 87 LEU CA C 13 54.4900 0.0000 . 1 . . . . . 85 LEU CA . 50034 1 133 . 1 . 1 87 87 LEU CB C 13 39.4700 0.0000 . 1 . . . . . 85 LEU CB . 50034 1 134 . 1 . 1 87 87 LEU N N 15 116.0880 0.0000 . 1 . . . . . 85 LEU N . 50034 1 135 . 1 . 1 88 88 ARG H H 1 8.2300 0.0000 . 1 . . . . . 86 ARG H . 50034 1 136 . 1 . 1 88 88 ARG CA C 13 56.2500 0.0000 . 1 . . . . . 86 ARG CA . 50034 1 137 . 1 . 1 88 88 ARG CB C 13 32.4800 0.0000 . 1 . . . . . 86 ARG CB . 50034 1 138 . 1 . 1 88 88 ARG N N 15 116.5200 0.0000 . 1 . . . . . 86 ARG N . 50034 1 139 . 1 . 1 89 89 ASP H H 1 7.9230 0.0000 . 1 . . . . . 87 ASP H . 50034 1 140 . 1 . 1 89 89 ASP CA C 13 51.1100 0.0000 . 1 . . . . . 87 ASP CA . 50034 1 141 . 1 . 1 89 89 ASP CB C 13 42.5200 0.0000 . 1 . . . . . 87 ASP CB . 50034 1 142 . 1 . 1 89 89 ASP N N 15 121.4800 0.0000 . 1 . . . . . 87 ASP N . 50034 1 143 . 1 . 1 90 90 PRO CA C 13 65.6900 0.0000 . 1 . . . . . 88 PRO CA . 50034 1 144 . 1 . 1 90 90 PRO CB C 13 32.4200 0.0000 . 1 . . . . . 88 PRO CB . 50034 1 145 . 1 . 1 91 91 GLN H H 1 8.4900 0.0000 . 1 . . . . . 89 GLN H . 50034 1 146 . 1 . 1 91 91 GLN CA C 13 59.1500 0.0000 . 1 . . . . . 89 GLN CA . 50034 1 147 . 1 . 1 91 91 GLN CB C 13 28.0900 0.0000 . 1 . . . . . 89 GLN CB . 50034 1 148 . 1 . 1 91 91 GLN N N 15 118.3100 0.0000 . 1 . . . . . 89 GLN N . 50034 1 149 . 1 . 1 92 92 ARG H H 1 7.5000 0.0000 . 1 . . . . . 90 ARG H . 50034 1 150 . 1 . 1 92 92 ARG CA C 13 57.9000 0.0000 . 1 . . . . . 90 ARG CA . 50034 1 151 . 1 . 1 92 92 ARG CB C 13 30.3100 0.0000 . 1 . . . . . 90 ARG CB . 50034 1 152 . 1 . 1 92 92 ARG N N 15 118.8200 0.0000 . 1 . . . . . 90 ARG N . 50034 1 153 . 1 . 1 93 93 VAL H H 1 7.9900 0.0000 . 1 . . . . . 91 VAL H . 50034 1 154 . 1 . 1 93 93 VAL CA C 13 66.7000 0.0000 . 1 . . . . . 91 VAL CA . 50034 1 155 . 1 . 1 93 93 VAL CB C 13 31.0700 0.0000 . 1 . . . . . 91 VAL CB . 50034 1 156 . 1 . 1 93 93 VAL N N 15 120.9800 0.0000 . 1 . . . . . 91 VAL N . 50034 1 157 . 1 . 1 94 94 LEU CA C 13 58.6700 0.0000 . 1 . . . . . 92 LEU CA . 50034 1 158 . 1 . 1 94 94 LEU CB C 13 41.1700 0.0000 . 1 . . . . . 92 LEU CB . 50034 1 159 . 1 . 1 95 95 GLU H H 1 7.4800 0.0000 . 1 . . . . . 93 GLU H . 50034 1 160 . 1 . 1 95 95 GLU CA C 13 59.5400 0.0000 . 1 . . . . . 93 GLU CA . 50034 1 161 . 1 . 1 95 95 GLU CB C 13 29.5400 0.0000 . 1 . . . . . 93 GLU CB . 50034 1 162 . 1 . 1 95 95 GLU N N 15 117.1200 0.0000 . 1 . . . . . 93 GLU N . 50034 1 163 . 1 . 1 96 96 TYR H H 1 8.1800 0.0000 . 1 . . . . . 94 TYR H . 50034 1 164 . 1 . 1 96 96 TYR CA C 13 62.5200 0.0000 . 1 . . . . . 94 TYR CA . 50034 1 165 . 1 . 1 96 96 TYR CB C 13 38.9600 0.0000 . 1 . . . . . 94 TYR CB . 50034 1 166 . 1 . 1 96 96 TYR N N 15 122.2500 0.0000 . 1 . . . . . 94 TYR N . 50034 1 167 . 1 . 1 97 97 CYS H H 1 9.2300 0.0000 . 1 . . . . . 95 CYS H . 50034 1 168 . 1 . 1 97 97 CYS CA C 13 60.4000 0.0000 . 1 . . . . . 95 CYS CA . 50034 1 169 . 1 . 1 97 97 CYS CB C 13 40.4000 0.0000 . 1 . . . . . 95 CYS CB . 50034 1 170 . 1 . 1 97 97 CYS N N 15 117.2100 0.0000 . 1 . . . . . 95 CYS N . 50034 1 171 . 1 . 1 98 98 ARG H H 1 7.7800 0.0000 . 1 . . . . . 96 ARG H . 50034 1 172 . 1 . 1 98 98 ARG CA C 13 59.2500 0.0000 . 1 . . . . . 96 ARG CA . 50034 1 173 . 1 . 1 98 98 ARG CB C 13 29.9200 0.0000 . 1 . . . . . 96 ARG CB . 50034 1 174 . 1 . 1 98 98 ARG N N 15 117.1000 0.0000 . 1 . . . . . 96 ARG N . 50034 1 175 . 1 . 1 99 99 GLN H H 1 7.5800 0.0000 . 1 . . . . . 97 GLN H . 50034 1 176 . 1 . 1 99 99 GLN CA C 13 57.9000 0.0000 . 1 . . . . . 97 GLN CA . 50034 1 177 . 1 . 1 99 99 GLN CB C 13 28.7700 0.0000 . 1 . . . . . 97 GLN CB . 50034 1 178 . 1 . 1 99 99 GLN N N 15 118.2000 0.0000 . 1 . . . . . 97 GLN N . 50034 1 179 . 1 . 1 100 100 MET H H 1 7.7500 0.0000 . 1 . . . . . 98 MET H . 50034 1 180 . 1 . 1 100 100 MET CA C 13 54.8200 0.0000 . 1 . . . . . 98 MET CA . 50034 1 181 . 1 . 1 100 100 MET CB C 13 34.7300 0.0000 . 1 . . . . . 98 MET CB . 50034 1 182 . 1 . 1 100 100 MET N N 15 115.3700 0.0000 . 1 . . . . . 98 MET N . 50034 1 183 . 1 . 1 101 101 TYR H H 1 7.6200 0.0000 . 1 . . . . . 99 TYR H . 50034 1 184 . 1 . 1 101 101 TYR CA C 13 54.5400 0.0000 . 1 . . . . . 99 TYR CA . 50034 1 185 . 1 . 1 101 101 TYR CB C 13 38.0900 0.0000 . 1 . . . . . 99 TYR CB . 50034 1 186 . 1 . 1 101 101 TYR N N 15 115.7200 0.0000 . 1 . . . . . 99 TYR N . 50034 1 187 . 1 . 1 102 102 PRO CA C 13 65.2600 0.0000 . 1 . . . . . 100 PRO CA . 50034 1 188 . 1 . 1 102 102 PRO CB C 13 31.5500 0.0000 . 1 . . . . . 100 PRO CB . 50034 1 189 . 1 . 1 103 103 GLU H H 1 9.5300 0.0000 . 1 . . . . . 101 GLU H . 50034 1 190 . 1 . 1 103 103 GLU CA C 13 57.6100 0.0000 . 1 . . . . . 101 GLU CA . 50034 1 191 . 1 . 1 103 103 GLU CB C 13 28.8600 0.0000 . 1 . . . . . 101 GLU CB . 50034 1 192 . 1 . 1 103 103 GLU N N 15 116.9500 0.0000 . 1 . . . . . 101 GLU N . 50034 1 193 . 1 . 1 104 104 LEU H H 1 7.4100 0.0000 . 1 . . . . . 102 LEU H . 50034 1 194 . 1 . 1 104 104 LEU CA C 13 54.3400 0.0000 . 1 . . . . . 102 LEU CA . 50034 1 195 . 1 . 1 104 104 LEU CB C 13 42.9500 0.0000 . 1 . . . . . 102 LEU CB . 50034 1 196 . 1 . 1 104 104 LEU N N 15 117.9500 0.0000 . 1 . . . . . 102 LEU N . 50034 1 197 . 1 . 1 105 105 GLN H H 1 7.7000 0.0000 . 1 . . . . . 103 GLN H . 50034 1 198 . 1 . 1 105 105 GLN CA C 13 55.7900 0.0000 . 1 . . . . . 103 GLN CA . 50034 1 199 . 1 . 1 105 105 GLN CB C 13 26.8500 0.0000 . 1 . . . . . 103 GLN CB . 50034 1 200 . 1 . 1 105 105 GLN N N 15 117.1400 0.0000 . 1 . . . . . 103 GLN N . 50034 1 201 . 1 . 1 106 106 ILE H H 1 9.0600 0.0000 . 1 . . . . . 104 ILE H . 50034 1 202 . 1 . 1 106 106 ILE CA C 13 60.0200 0.0000 . 1 . . . . . 104 ILE CA . 50034 1 203 . 1 . 1 106 106 ILE CB C 13 35.6700 0.0000 . 1 . . . . . 104 ILE CB . 50034 1 204 . 1 . 1 106 106 ILE N N 15 120.6000 0.0000 . 1 . . . . . 104 ILE N . 50034 1 205 . 1 . 1 107 107 ALA H H 1 8.8800 0.0000 . 1 . . . . . 105 ALA H . 50034 1 206 . 1 . 1 107 107 ALA CA C 13 52.3300 0.0000 . 1 . . . . . 105 ALA CA . 50034 1 207 . 1 . 1 107 107 ALA CB C 13 22.8300 0.0000 . 1 . . . . . 105 ALA CB . 50034 1 208 . 1 . 1 107 107 ALA N N 15 129.4400 0.0000 . 1 . . . . . 105 ALA N . 50034 1 209 . 1 . 1 108 108 ARG H H 1 8.0500 0.0000 . 1 . . . . . 106 ARG H . 50034 1 210 . 1 . 1 108 108 ARG CA C 13 54.8300 0.0000 . 1 . . . . . 106 ARG CA . 50034 1 211 . 1 . 1 108 108 ARG CB C 13 33.4800 0.0000 . 1 . . . . . 106 ARG CB . 50034 1 212 . 1 . 1 108 108 ARG N N 15 115.6100 0.0000 . 1 . . . . . 106 ARG N . 50034 1 213 . 1 . 1 109 109 VAL H H 1 8.4200 0.0000 . 1 . . . . . 107 VAL H . 50034 1 214 . 1 . 1 109 109 VAL CA C 13 58.6700 0.0000 . 1 . . . . . 107 VAL CA . 50034 1 215 . 1 . 1 109 109 VAL CB C 13 35.6000 0.0000 . 1 . . . . . 107 VAL CB . 50034 1 216 . 1 . 1 109 109 VAL N N 15 112.5800 0.0000 . 1 . . . . . 107 VAL N . 50034 1 217 . 1 . 1 110 110 GLU H H 1 8.3200 0.0000 . 1 . . . . . 108 GLU H . 50034 1 218 . 1 . 1 110 110 GLU CA C 13 55.0000 0.0000 . 1 . . . . . 108 GLU CA . 50034 1 219 . 1 . 1 110 110 GLU CB C 13 34.6100 0.0000 . 1 . . . . . 108 GLU CB . 50034 1 220 . 1 . 1 110 110 GLU N N 15 119.4200 0.0000 . 1 . . . . . 108 GLU N . 50034 1 221 . 1 . 1 111 111 GLN H H 1 9.3400 0.0000 . 1 . . . . . 109 GLN H . 50034 1 222 . 1 . 1 111 111 GLN CA C 13 57.8000 0.0000 . 1 . . . . . 109 GLN CA . 50034 1 223 . 1 . 1 111 111 GLN CB C 13 29.2500 0.0000 . 1 . . . . . 109 GLN CB . 50034 1 224 . 1 . 1 111 111 GLN N N 15 126.8300 0.0000 . 1 . . . . . 109 GLN N . 50034 1 225 . 1 . 1 112 112 ALA H H 1 8.4400 0.0000 . 1 . . . . . 110 ALA H . 50034 1 226 . 1 . 1 112 112 ALA CA C 13 51.8500 0.0000 . 1 . . . . . 110 ALA CA . 50034 1 227 . 1 . 1 112 112 ALA CB C 13 19.4800 0.0000 . 1 . . . . . 110 ALA CB . 50034 1 228 . 1 . 1 112 112 ALA N N 15 126.1900 0.0000 . 1 . . . . . 110 ALA N . 50034 1 229 . 1 . 1 113 113 THR H H 1 7.9900 0.0000 . 1 . . . . . 111 THR H . 50034 1 230 . 1 . 1 113 113 THR CA C 13 63.0000 0.0000 . 1 . . . . . 111 THR CA . 50034 1 231 . 1 . 1 113 113 THR CB C 13 69.4400 0.0000 . 1 . . . . . 111 THR CB . 50034 1 232 . 1 . 1 113 113 THR N N 15 106.8300 0.0000 . 1 . . . . . 111 THR N . 50034 1 233 . 1 . 1 114 114 GLN H H 1 7.4900 0.0000 . 1 . . . . . 112 GLN H . 50034 1 234 . 1 . 1 114 114 GLN CA C 13 54.7300 0.0000 . 1 . . . . . 112 GLN CA . 50034 1 235 . 1 . 1 114 114 GLN CB C 13 31.4600 0.0000 . 1 . . . . . 112 GLN CB . 50034 1 236 . 1 . 1 114 114 GLN N N 15 119.4000 0.0000 . 1 . . . . . 112 GLN N . 50034 1 237 . 1 . 1 115 115 ALA H H 1 8.4600 0.0000 . 1 . . . . . 113 ALA H . 50034 1 238 . 1 . 1 115 115 ALA CA C 13 51.3600 0.0000 . 1 . . . . . 113 ALA CA . 50034 1 239 . 1 . 1 115 115 ALA CB C 13 19.9200 0.0000 . 1 . . . . . 113 ALA CB . 50034 1 240 . 1 . 1 115 115 ALA N N 15 125.8800 0.0000 . 1 . . . . . 113 ALA N . 50034 1 241 . 1 . 1 116 116 ILE H H 1 8.6500 0.0000 . 1 . . . . . 114 ILE H . 50034 1 242 . 1 . 1 116 116 ILE CA C 13 57.9000 0.0000 . 1 . . . . . 114 ILE CA . 50034 1 243 . 1 . 1 116 116 ILE CB C 13 40.2100 0.0000 . 1 . . . . . 114 ILE CB . 50034 1 244 . 1 . 1 116 116 ILE N N 15 117.6900 0.0000 . 1 . . . . . 114 ILE N . 50034 1 245 . 1 . 1 131 131 ALA CA C 13 53.1900 0.0000 . 1 . . . . . 129 ALA CA . 50034 1 246 . 1 . 1 131 131 ALA CB C 13 18.9600 0.0000 . 1 . . . . . 129 ALA CB . 50034 1 247 . 1 . 1 132 132 HIS H H 1 7.7200 0.0000 . 1 . . . . . 130 HIS H . 50034 1 248 . 1 . 1 132 132 HIS CA C 13 53.8600 0.0000 . 1 . . . . . 130 HIS CA . 50034 1 249 . 1 . 1 132 132 HIS CB C 13 30.6000 0.0000 . 1 . . . . . 130 HIS CB . 50034 1 250 . 1 . 1 132 132 HIS N N 15 117.9300 0.0000 . 1 . . . . . 130 HIS N . 50034 1 251 . 1 . 1 136 136 GLN CA C 13 54.9200 0.0000 . 1 . . . . . 134 GLN CA . 50034 1 252 . 1 . 1 136 136 GLN CB C 13 30.5900 0.0000 . 1 . . . . . 134 GLN CB . 50034 1 253 . 1 . 1 137 137 VAL H H 1 8.6100 0.0000 . 1 . . . . . 135 VAL H . 50034 1 254 . 1 . 1 137 137 VAL CA C 13 60.6900 0.0000 . 1 . . . . . 135 VAL CA . 50034 1 255 . 1 . 1 137 137 VAL CB C 13 35.3000 0.0000 . 1 . . . . . 135 VAL CB . 50034 1 256 . 1 . 1 137 137 VAL N N 15 120.9500 0.0000 . 1 . . . . . 135 VAL N . 50034 1 257 . 1 . 1 138 138 VAL H H 1 8.4700 0.0000 . 1 . . . . . 136 VAL H . 50034 1 258 . 1 . 1 138 138 VAL CA C 13 60.0000 0.0000 . 1 . . . . . 136 VAL CA . 50034 1 259 . 1 . 1 138 138 VAL CB C 13 32.1300 0.0000 . 1 . . . . . 136 VAL CB . 50034 1 260 . 1 . 1 138 138 VAL N N 15 127.9200 0.0000 . 1 . . . . . 136 VAL N . 50034 1 261 . 1 . 1 139 139 PRO CA C 13 62.4800 0.0000 . 1 . . . . . 137 PRO CA . 50034 1 262 . 1 . 1 139 139 PRO CB C 13 34.7100 0.0000 . 1 . . . . . 137 PRO CB . 50034 1 263 . 1 . 1 140 140 PHE H H 1 9.4700 0.0000 . 1 . . . . . 138 PHE H . 50034 1 264 . 1 . 1 140 140 PHE CA C 13 57.5200 0.0000 . 1 . . . . . 138 PHE CA . 50034 1 265 . 1 . 1 140 140 PHE CB C 13 42.5600 0.0000 . 1 . . . . . 138 PHE CB . 50034 1 266 . 1 . 1 140 140 PHE N N 15 115.4400 0.0000 . 1 . . . . . 138 PHE N . 50034 1 267 . 1 . 1 141 141 ARG H H 1 9.4700 0.0000 . 1 . . . . . 139 ARG H . 50034 1 268 . 1 . 1 141 141 ARG CA C 13 56.1700 0.0000 . 1 . . . . . 139 ARG CA . 50034 1 269 . 1 . 1 141 141 ARG CB C 13 31.7500 0.0000 . 1 . . . . . 139 ARG CB . 50034 1 270 . 1 . 1 141 141 ARG N N 15 115.4400 0.0000 . 1 . . . . . 139 ARG N . 50034 1 271 . 1 . 1 142 142 CYS H H 1 8.4300 0.0000 . 1 . . . . . 140 CYS H . 50034 1 272 . 1 . 1 142 142 CYS CA C 13 52.7100 0.0000 . 1 . . . . . 140 CYS CA . 50034 1 273 . 1 . 1 142 142 CYS CB C 13 37.4200 0.0000 . 1 . . . . . 140 CYS CB . 50034 1 274 . 1 . 1 142 142 CYS N N 15 122.7000 0.0000 . 1 . . . . . 140 CYS N . 50034 1 275 . 1 . 1 143 143 LEU H H 1 8.8600 0.0000 . 1 . . . . . 141 LEU H . 50034 1 276 . 1 . 1 143 143 LEU CA C 13 52.6100 0.0000 . 1 . . . . . 141 LEU CA . 50034 1 277 . 1 . 1 143 143 LEU CB C 13 43.0000 0.0000 . 1 . . . . . 141 LEU CB . 50034 1 278 . 1 . 1 143 143 LEU N N 15 125.6900 0.0000 . 1 . . . . . 141 LEU N . 50034 1 279 . 1 . 1 144 144 PRO CA C 13 62.6400 0.0000 . 1 . . . . . 142 PRO CA . 50034 1 280 . 1 . 1 144 144 PRO CB C 13 33.1600 0.0000 . 1 . . . . . 142 PRO CB . 50034 1 281 . 1 . 1 145 145 GLY H H 1 8.4500 0.0000 . 1 . . . . . 143 GLY H . 50034 1 282 . 1 . 1 145 145 GLY CA C 13 45.5000 0.0000 . 1 . . . . . 143 GLY CA . 50034 1 283 . 1 . 1 145 145 GLY N N 15 107.4900 0.0000 . 1 . . . . . 143 GLY N . 50034 1 284 . 1 . 1 146 146 GLU H H 1 8.2500 0.0000 . 1 . . . . . 144 GLU H . 50034 1 285 . 1 . 1 146 146 GLU CA C 13 56.7400 0.0000 . 1 . . . . . 144 GLU CA . 50034 1 286 . 1 . 1 146 146 GLU CB C 13 30.6000 0.0000 . 1 . . . . . 144 GLU CB . 50034 1 287 . 1 . 1 146 146 GLU N N 15 120.0100 0.0000 . 1 . . . . . 144 GLU N . 50034 1 288 . 1 . 1 147 147 PHE H H 1 8.2380 0.0000 . 1 . . . . . 145 PHE H . 50034 1 289 . 1 . 1 147 147 PHE CA C 13 57.6100 0.0000 . 1 . . . . . 145 PHE CA . 50034 1 290 . 1 . 1 147 147 PHE CB C 13 39.7300 0.0000 . 1 . . . . . 145 PHE CB . 50034 1 291 . 1 . 1 147 147 PHE N N 15 121.2500 0.0000 . 1 . . . . . 145 PHE N . 50034 1 292 . 1 . 1 148 148 VAL H H 1 7.5600 0.0000 . 1 . . . . . 146 VAL H . 50034 1 293 . 1 . 1 148 148 VAL CA C 13 63.6700 0.0000 . 1 . . . . . 146 VAL CA . 50034 1 294 . 1 . 1 148 148 VAL CB C 13 33.4800 0.0000 . 1 . . . . . 146 VAL CB . 50034 1 295 . 1 . 1 148 148 VAL N N 15 125.3900 0.0000 . 1 . . . . . 146 VAL N . 50034 1 stop_ save_