################################### # 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 18567 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'experiments performed, 15N-H HSQC, HNCO,HNCACO, CBCANH, CBCACONH.' _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' . . . 18567 1 2 '3D HNCO' . . . 18567 1 3 '3D HNCA' . . . 18567 1 4 '3D HNCACB' . . . 18567 1 5 '3D CBCA(CO)NH' . . . 18567 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 11 11 GLY H H 1 8.416 0.02 . 1 . . . . 11 GLY H . 18567 1 2 . 1 1 11 11 GLY C C 13 173.642 0.3 . 1 . . . . 11 GLY C . 18567 1 3 . 1 1 11 11 GLY CA C 13 44.663 0.3 . 1 . . . . 11 GLY CA . 18567 1 4 . 1 1 11 11 GLY N N 15 109.392 0.3 . 1 . . . . 11 GLY N . 18567 1 5 . 1 1 12 12 SER H H 1 8.29 0.02 . 1 . . . . 12 SER H . 18567 1 6 . 1 1 12 12 SER C C 13 174.247 0.3 . 1 . . . . 12 SER C . 18567 1 7 . 1 1 12 12 SER CA C 13 57.67 0.3 . 1 . . . . 12 SER CA . 18567 1 8 . 1 1 12 12 SER CB C 13 63.081 0.3 . 1 . . . . 12 SER CB . 18567 1 9 . 1 1 12 12 SER N N 15 115.599 0.3 . 1 . . . . 12 SER N . 18567 1 10 . 1 1 13 13 HIS H H 1 8.34 0.02 . 1 . . . . 13 HIS H . 18567 1 11 . 1 1 13 13 HIS C C 13 176.327 0.3 . 1 . . . . 13 HIS C . 18567 1 12 . 1 1 13 13 HIS CA C 13 55.867 0.3 . 1 . . . . 13 HIS CA . 18567 1 13 . 1 1 13 13 HIS CB C 13 29.856 0.3 . 1 . . . . 13 HIS CB . 18567 1 14 . 1 1 13 13 HIS N N 15 122.786 0.3 . 1 . . . . 13 HIS N . 18567 1 15 . 1 1 14 14 VAL H H 1 7.51 0.02 . 1 . . . . 14 VAL H . 18567 1 16 . 1 1 14 14 VAL C C 13 173.982 0.3 . 1 . . . . 14 VAL C . 18567 1 17 . 1 1 14 14 VAL CA C 13 57.67 0.3 . 1 . . . . 14 VAL CA . 18567 1 18 . 1 1 14 14 VAL CB C 13 31.73 0.3 . 1 . . . . 14 VAL CB . 18567 1 19 . 1 1 14 14 VAL N N 15 115.416 0.3 . 1 . . . . 14 VAL N . 18567 1 20 . 1 1 15 15 ILE H H 1 8.112 0.02 . 1 . . . . 15 ILE H . 18567 1 21 . 1 1 15 15 ILE C C 13 175.344 0.3 . 1 . . . . 15 ILE C . 18567 1 22 . 1 1 15 15 ILE CA C 13 60.898 0.3 . 1 . . . . 15 ILE CA . 18567 1 23 . 1 1 15 15 ILE CB C 13 37.735 0.3 . 1 . . . . 15 ILE CB . 18567 1 24 . 1 1 15 15 ILE N N 15 122.061 0.3 . 1 . . . . 15 ILE N . 18567 1 25 . 1 1 16 16 SER H H 1 8.322 0.02 . 1 . . . . 16 SER H . 18567 1 26 . 1 1 16 16 SER C C 13 175.571 0.3 . 1 . . . . 16 SER C . 18567 1 27 . 1 1 16 16 SER CA C 13 60.225 0.3 . 1 . . . . 16 SER CA . 18567 1 28 . 1 1 16 16 SER CB C 13 64.889 0.3 . 1 . . . . 16 SER CB . 18567 1 29 . 1 1 16 16 SER N N 15 125.407 0.3 . 1 . . . . 16 SER N . 18567 1 30 . 1 1 17 17 SER H H 1 8.426 0.02 . 1 . . . . 17 SER H . 18567 1 31 . 1 1 17 17 SER C C 13 173.869 0.3 . 1 . . . . 17 SER C . 18567 1 32 . 1 1 17 17 SER CA C 13 55.006 0.3 . 1 . . . . 17 SER CA . 18567 1 33 . 1 1 17 17 SER CB C 13 65.356 0.3 . 1 . . . . 17 SER CB . 18567 1 34 . 1 1 17 17 SER N N 15 120.273 0.3 . 1 . . . . 17 SER N . 18567 1 35 . 1 1 18 18 ILE H H 1 8.149 0.02 . 1 . . . . 18 ILE H . 18567 1 36 . 1 1 18 18 ILE C C 13 175.684 0.3 . 1 . . . . 18 ILE C . 18567 1 37 . 1 1 18 18 ILE CA C 13 61.562 0.3 . 1 . . . . 18 ILE CA . 18567 1 38 . 1 1 18 18 ILE CB C 13 39.948 0.3 . 1 . . . . 18 ILE CB . 18567 1 39 . 1 1 18 18 ILE N N 15 122.116 0.3 . 1 . . . . 18 ILE N . 18567 1 40 . 1 1 19 19 ALA H H 1 8.285 0.02 . 1 . . . . 19 ALA H . 18567 1 41 . 1 1 19 19 ALA C C 13 177.424 0.3 . 1 . . . . 19 ALA C . 18567 1 42 . 1 1 19 19 ALA CA C 13 51.969 0.3 . 1 . . . . 19 ALA CA . 18567 1 43 . 1 1 19 19 ALA CB C 13 18.285 0.3 . 1 . . . . 19 ALA CB . 18567 1 44 . 1 1 19 19 ALA N N 15 127.023 0.3 . 1 . . . . 19 ALA N . 18567 1 45 . 1 1 20 20 SER H H 1 8.211 0.02 . 1 . . . . 20 SER H . 18567 1 46 . 1 1 20 20 SER C C 13 174.323 0.3 . 1 . . . . 20 SER C . 18567 1 47 . 1 1 20 20 SER CA C 13 57.758 0.3 . 1 . . . . 20 SER CA . 18567 1 48 . 1 1 20 20 SER CB C 13 63.071 0.3 . 1 . . . . 20 SER CB . 18567 1 49 . 1 1 20 20 SER N N 15 114.737 0.3 . 1 . . . . 20 SER N . 18567 1 50 . 1 1 24 24 MET H H 1 8.429 0.02 . 1 . . . . 24 MET H . 18567 1 51 . 1 1 24 24 MET C C 13 175.571 0.3 . 1 . . . . 24 MET C . 18567 1 52 . 1 1 24 24 MET CA C 13 55.012 0.3 . 1 . . . . 24 MET CA . 18567 1 53 . 1 1 24 24 MET CB C 13 31.66 0.3 . 1 . . . . 24 MET CB . 18567 1 54 . 1 1 24 24 MET N N 15 121.879 0.3 . 1 . . . . 24 MET N . 18567 1 55 . 1 1 25 25 ALA H H 1 8.203 0.02 . 1 . . . . 25 ALA H . 18567 1 56 . 1 1 25 25 ALA C C 13 177.235 0.3 . 1 . . . . 25 ALA C . 18567 1 57 . 1 1 25 25 ALA CA C 13 52.159 0.3 . 1 . . . . 25 ALA CA . 18567 1 58 . 1 1 25 25 ALA CB C 13 18.38 0.3 . 1 . . . . 25 ALA CB . 18567 1 59 . 1 1 25 25 ALA N N 15 124.418 0.3 . 1 . . . . 25 ALA N . 18567 1 60 . 1 1 26 26 GLU H H 1 8.302 0.02 . 1 . . . . 26 GLU H . 18567 1 61 . 1 1 26 26 GLU C C 13 173.415 0.3 . 1 . . . . 26 GLU C . 18567 1 62 . 1 1 26 26 GLU CA C 13 58.308 0.3 . 1 . . . . 26 GLU CA . 18567 1 63 . 1 1 26 26 GLU CB C 13 29.387 0.3 . 1 . . . . 26 GLU CB . 18567 1 64 . 1 1 26 26 GLU N N 15 119.327 0.3 . 1 . . . . 26 GLU N . 18567 1 65 . 1 1 27 27 HIS H H 1 8.122 0.02 . 1 . . . . 27 HIS H . 18567 1 66 . 1 1 27 27 HIS C C 13 173.869 0.3 . 1 . . . . 27 HIS C . 18567 1 67 . 1 1 27 27 HIS CA C 13 54.911 0.3 . 1 . . . . 27 HIS CA . 18567 1 68 . 1 1 27 27 HIS CB C 13 28.628 0.3 . 1 . . . . 27 HIS CB . 18567 1 69 . 1 1 27 27 HIS N N 15 118.213 0.3 . 1 . . . . 27 HIS N . 18567 1 70 . 1 1 28 28 GLN H H 1 8.371 0.02 . 1 . . . . 28 GLN H . 18567 1 71 . 1 1 28 28 GLN C C 13 175.079 0.3 . 1 . . . . 28 GLN C . 18567 1 72 . 1 1 28 28 GLN CA C 13 54.911 0.3 . 1 . . . . 28 GLN CA . 18567 1 73 . 1 1 28 28 GLN CB C 13 28.628 0.3 . 1 . . . . 28 GLN CB . 18567 1 74 . 1 1 28 28 GLN N N 15 121.309 0.3 . 1 . . . . 28 GLN N . 18567 1 75 . 1 1 29 29 LEU H H 1 8.417 0.02 . 1 . . . . 29 LEU H . 18567 1 76 . 1 1 29 29 LEU C C 13 177.921 0.3 . 1 . . . . 29 LEU C . 18567 1 77 . 1 1 29 29 LEU CA C 13 54.911 0.3 . 1 . . . . 29 LEU CA . 18567 1 78 . 1 1 29 29 LEU CB C 13 42.007 0.3 . 1 . . . . 29 LEU CB . 18567 1 79 . 1 1 29 29 LEU N N 15 123.827 0.3 . 1 . . . . 29 LEU N . 18567 1 80 . 1 1 30 30 GLY H H 1 8.519 0.02 . 1 . . . . 30 GLY H . 18567 1 81 . 1 1 30 30 GLY C C 13 172.452 0.3 . 1 . . . . 30 GLY C . 18567 1 82 . 1 1 30 30 GLY CA C 13 44.568 0.3 . 1 . . . . 30 GLY CA . 18567 1 83 . 1 1 30 30 GLY N N 15 110.871 0.3 . 1 . . . . 30 GLY N . 18567 1 84 . 1 1 31 31 PRO C C 13 180.224 0.3 . 1 . . . . 31 PRO C . 18567 1 85 . 1 1 32 32 ILE H H 1 10.329 0.02 . 1 . . . . 32 ILE H . 18567 1 86 . 1 1 32 32 ILE C C 13 176.857 0.3 . 1 . . . . 32 ILE C . 18567 1 87 . 1 1 32 32 ILE CA C 13 63.556 0.3 . 1 . . . . 32 ILE CA . 18567 1 88 . 1 1 32 32 ILE CB C 13 37.033 0.3 . 1 . . . . 32 ILE CB . 18567 1 89 . 1 1 32 32 ILE N N 15 124.287 0.3 . 1 . . . . 32 ILE N . 18567 1 90 . 1 1 33 33 ALA H H 1 9.347 0.02 . 1 . . . . 33 ALA H . 18567 1 91 . 1 1 33 33 ALA C C 13 179.316 0.3 . 1 . . . . 33 ALA C . 18567 1 92 . 1 1 33 33 ALA CA C 13 54.443 0.3 . 1 . . . . 33 ALA CA . 18567 1 93 . 1 1 33 33 ALA CB C 13 18.844 0.3 . 1 . . . . 33 ALA CB . 18567 1 94 . 1 1 33 33 ALA N N 15 124.412 0.3 . 1 . . . . 33 ALA N . 18567 1 95 . 1 1 34 34 GLY H H 1 8.67 0.02 . 1 . . . . 34 GLY H . 18567 1 96 . 1 1 34 34 GLY C C 13 175.684 0.3 . 1 . . . . 34 GLY C . 18567 1 97 . 1 1 34 34 GLY CA C 13 46.181 0.3 . 1 . . . . 34 GLY CA . 18567 1 98 . 1 1 34 34 GLY N N 15 132.175 0.3 . 1 . . . . 34 GLY N . 18567 1 99 . 1 1 35 35 ALA H H 1 7.397 0.02 . 1 . . . . 35 ALA H . 18567 1 100 . 1 1 35 35 ALA C C 13 178.635 0.3 . 1 . . . . 35 ALA C . 18567 1 101 . 1 1 35 35 ALA CA C 13 54.152 0.3 . 1 . . . . 35 ALA CA . 18567 1 102 . 1 1 35 35 ALA CB C 13 18.19 0.3 . 1 . . . . 35 ALA CB . 18567 1 103 . 1 1 35 35 ALA N N 15 126.174 0.3 . 1 . . . . 35 ALA N . 18567 1 104 . 1 1 36 36 ILE H H 1 8.425 0.02 . 1 . . . . 36 ILE H . 18567 1 105 . 1 1 36 36 ILE C C 13 176.706 0.3 . 1 . . . . 36 ILE C . 18567 1 106 . 1 1 36 36 ILE CA C 13 65.075 0.3 . 1 . . . . 36 ILE CA . 18567 1 107 . 1 1 36 36 ILE CB C 13 36.786 0.3 . 1 . . . . 36 ILE CB . 18567 1 108 . 1 1 36 36 ILE N N 15 117.159 0.3 . 1 . . . . 36 ILE N . 18567 1 109 . 1 1 37 37 LYS H H 1 7.908 0.02 . 1 . . . . 37 LYS H . 18567 1 110 . 1 1 37 37 LYS C C 13 176.895 0.3 . 1 . . . . 37 LYS C . 18567 1 111 . 1 1 37 37 LYS CA C 13 58.991 0.3 . 1 . . . . 37 LYS CA . 18567 1 112 . 1 1 37 37 LYS CB C 13 32.328 0.3 . 1 . . . . 37 LYS CB . 18567 1 113 . 1 1 37 37 LYS N N 15 116.596 0.3 . 1 . . . . 37 LYS N . 18567 1 114 . 1 1 38 38 SER H H 1 8.048 0.02 . 1 . . . . 38 SER H . 18567 1 115 . 1 1 38 38 SER C C 13 177.76 0.3 . 1 . . . . 38 SER C . 18567 1 116 . 1 1 38 38 SER CA C 13 55.101 0.3 . 1 . . . . 38 SER CA . 18567 1 117 . 1 1 38 38 SER CB C 13 62.122 0.3 . 1 . . . . 38 SER CB . 18567 1 118 . 1 1 38 38 SER N N 15 111.668 0.3 . 1 . . . . 38 SER N . 18567 1 119 . 1 1 39 39 LYS H H 1 8.624 0.02 . 1 . . . . 39 LYS H . 18567 1 120 . 1 1 39 39 LYS C C 13 179.694 0.3 . 1 . . . . 39 LYS C . 18567 1 121 . 1 1 39 39 LYS CA C 13 55.101 0.3 . 1 . . . . 39 LYS CA . 18567 1 122 . 1 1 39 39 LYS CB C 13 34.395 0.3 . 1 . . . . 39 LYS CB . 18567 1 123 . 1 1 39 39 LYS N N 15 120.626 0.3 . 1 . . . . 39 LYS N . 18567 1 124 . 1 1 40 40 VAL H H 1 8.475 0.02 . 1 . . . . 40 VAL H . 18567 1 125 . 1 1 40 40 VAL C C 13 180.715 0.3 . 1 . . . . 40 VAL C . 18567 1 126 . 1 1 40 40 VAL CA C 13 56.239 0.3 . 1 . . . . 40 VAL CA . 18567 1 127 . 1 1 40 40 VAL CB C 13 30.046 0.3 . 1 . . . . 40 VAL CB . 18567 1 128 . 1 1 40 40 VAL N N 15 118.92 0.3 . 1 . . . . 40 VAL N . 18567 1 129 . 1 1 41 41 GLU H H 1 8.341 0.02 . 1 . . . . 41 GLU H . 18567 1 130 . 1 1 41 41 GLU C C 13 178.786 0.3 . 1 . . . . 41 GLU C . 18567 1 131 . 1 1 41 41 GLU CA C 13 54.816 0.3 . 1 . . . . 41 GLU CA . 18567 1 132 . 1 1 41 41 GLU CB C 13 28.628 0.3 . 1 . . . . 41 GLU CB . 18567 1 133 . 1 1 41 41 GLU N N 15 118.628 0.3 . 1 . . . . 41 GLU N . 18567 1 134 . 1 1 42 42 ALA H H 1 7.618 0.02 . 1 . . . . 42 ALA H . 18567 1 135 . 1 1 42 42 ALA C C 13 178.786 0.3 . 1 . . . . 42 ALA C . 18567 1 136 . 1 1 42 42 ALA CA C 13 53.393 0.3 . 1 . . . . 42 ALA CA . 18567 1 137 . 1 1 42 42 ALA CB C 13 17.906 0.3 . 1 . . . . 42 ALA CB . 18567 1 138 . 1 1 42 42 ALA N N 15 118.67 0.3 . 1 . . . . 42 ALA N . 18567 1 139 . 1 1 43 43 ALA H H 1 7.523 0.02 . 1 . . . . 43 ALA H . 18567 1 140 . 1 1 43 43 ALA C C 13 179.127 0.3 . 1 . . . . 43 ALA C . 18567 1 141 . 1 1 43 43 ALA CA C 13 53.772 0.3 . 1 . . . . 43 ALA CA . 18567 1 142 . 1 1 43 43 ALA CB C 13 19.793 0.3 . 1 . . . . 43 ALA CB . 18567 1 143 . 1 1 43 43 ALA N N 15 115.576 0.3 . 1 . . . . 43 ALA N . 18567 1 144 . 1 1 44 44 LEU H H 1 8.052 0.02 . 1 . . . . 44 LEU H . 18567 1 145 . 1 1 44 44 LEU C C 13 176.214 0.3 . 1 . . . . 44 LEU C . 18567 1 146 . 1 1 44 44 LEU CA C 13 53.298 0.3 . 1 . . . . 44 LEU CA . 18567 1 147 . 1 1 44 44 LEU CB C 13 41.342 0.3 . 1 . . . . 44 LEU CB . 18567 1 148 . 1 1 44 44 LEU N N 15 112.134 0.3 . 1 . . . . 44 LEU N . 18567 1 149 . 1 1 45 45 SER H H 1 7.73 0.02 . 1 . . . . 45 SER H . 18567 1 150 . 1 1 45 45 SER C C 13 177.144 0.3 . 1 . . . . 45 SER C . 18567 1 151 . 1 1 45 45 SER CA C 13 57.093 0.3 . 1 . . . . 45 SER CA . 18567 1 152 . 1 1 45 45 SER CB C 13 61.553 0.3 . 1 . . . . 45 SER CB . 18567 1 153 . 1 1 45 45 SER N N 15 113.571 0.3 . 1 . . . . 45 SER N . 18567 1 154 . 1 1 46 46 PRO C C 13 177.198 0.3 . 1 . . . . 46 PRO C . 18567 1 155 . 1 1 47 47 THR H H 1 8.415 0.02 . 1 . . . . 47 THR H . 18567 1 156 . 1 1 47 47 THR C C 13 175.563 0.3 . 1 . . . . 47 THR C . 18567 1 157 . 1 1 47 47 THR CA C 13 61.648 0.3 . 1 . . . . 47 THR CA . 18567 1 158 . 1 1 47 47 THR CB C 13 67.436 0.3 . 1 . . . . 47 THR CB . 18567 1 159 . 1 1 47 47 THR N N 15 111.443 0.3 . 1 . . . . 47 THR N . 18567 1 160 . 1 1 48 48 HIS H H 1 7.33 0.02 . 1 . . . . 48 HIS H . 18567 1 161 . 1 1 48 48 HIS C C 13 171.864 0.3 . 1 . . . . 48 HIS C . 18567 1 162 . 1 1 48 48 HIS CA C 13 55.772 0.3 . 1 . . . . 48 HIS CA . 18567 1 163 . 1 1 48 48 HIS CB C 13 31.565 0.3 . 1 . . . . 48 HIS CB . 18567 1 164 . 1 1 48 48 HIS N N 15 119.441 0.3 . 1 . . . . 48 HIS N . 18567 1 165 . 1 1 49 49 PHE H H 1 8.155 0.02 . 1 . . . . 49 PHE H . 18567 1 166 . 1 1 49 49 PHE C C 13 172.129 0.3 . 1 . . . . 49 PHE C . 18567 1 167 . 1 1 49 49 PHE CA C 13 55.772 0.3 . 1 . . . . 49 PHE CA . 18567 1 168 . 1 1 49 49 PHE CB C 13 41.912 0.3 . 1 . . . . 49 PHE CB . 18567 1 169 . 1 1 49 49 PHE N N 15 127.577 0.3 . 1 . . . . 49 PHE N . 18567 1 170 . 1 1 50 50 LYS H H 1 8.19 0.02 . 1 . . . . 50 LYS H . 18567 1 171 . 1 1 50 50 LYS C C 13 172.598 0.3 . 1 . . . . 50 LYS C . 18567 1 172 . 1 1 50 50 LYS CA C 13 55.101 0.3 . 1 . . . . 50 LYS CA . 18567 1 173 . 1 1 50 50 LYS CB C 13 35.934 0.3 . 1 . . . . 50 LYS CB . 18567 1 174 . 1 1 50 50 LYS N N 15 128.69 0.3 . 1 . . . . 50 LYS N . 18567 1 175 . 1 1 51 51 LEU H H 1 8.582 0.02 . 1 . . . . 51 LEU H . 18567 1 176 . 1 1 51 51 LEU C C 13 174.587 0.3 . 1 . . . . 51 LEU C . 18567 1 177 . 1 1 51 51 LEU CA C 13 52.639 0.3 . 1 . . . . 51 LEU CA . 18567 1 178 . 1 1 51 51 LEU CB C 13 44.853 0.3 . 1 . . . . 51 LEU CB . 18567 1 179 . 1 1 51 51 LEU N N 15 128.371 0.3 . 1 . . . . 51 LEU N . 18567 1 180 . 1 1 52 52 ILE H H 1 9.281 0.02 . 1 . . . . 52 ILE H . 18567 1 181 . 1 1 52 52 ILE C C 13 174.133 0.3 . 1 . . . . 52 ILE C . 18567 1 182 . 1 1 52 52 ILE CA C 13 60.035 0.3 . 1 . . . . 52 ILE CA . 18567 1 183 . 1 1 52 52 ILE CB C 13 41.058 0.3 . 1 . . . . 52 ILE CB . 18567 1 184 . 1 1 52 52 ILE N N 15 126.939 0.3 . 1 . . . . 52 ILE N . 18567 1 185 . 1 1 53 53 ASN H H 1 9.288 0.02 . 1 . . . . 53 ASN H . 18567 1 186 . 1 1 53 53 ASN C C 13 174.096 0.3 . 1 . . . . 53 ASN C . 18567 1 187 . 1 1 53 53 ASN CA C 13 51.969 0.3 . 1 . . . . 53 ASN CA . 18567 1 188 . 1 1 53 53 ASN CB C 13 37.25 0.3 . 1 . . . . 53 ASN CB . 18567 1 189 . 1 1 53 53 ASN N N 15 126.146 0.3 . 1 . . . . 53 ASN N . 18567 1 190 . 1 1 54 54 ASP H H 1 8.641 0.02 . 1 . . . . 54 ASP H . 18567 1 191 . 1 1 54 54 ASP C C 13 177.273 0.3 . 1 . . . . 54 ASP C . 18567 1 192 . 1 1 54 54 ASP CA C 13 52.634 0.3 . 1 . . . . 54 ASP CA . 18567 1 193 . 1 1 54 54 ASP CB C 13 41.722 0.3 . 1 . . . . 54 ASP CB . 18567 1 194 . 1 1 54 54 ASP N N 15 128.565 0.3 . 1 . . . . 54 ASP N . 18567 1 195 . 1 1 55 55 SER H H 1 8.814 0.02 . 1 . . . . 55 SER H . 18567 1 196 . 1 1 55 55 SER C C 13 175.824 0.3 . 1 . . . . 55 SER C . 18567 1 197 . 1 1 55 55 SER CA C 13 62.702 0.3 . 1 . . . . 55 SER CA . 18567 1 198 . 1 1 55 55 SER CB C 13 62.132 0.3 . 1 . . . . 55 SER CB . 18567 1 199 . 1 1 55 55 SER N N 15 118.945 0.3 . 1 . . . . 55 SER N . 18567 1 200 . 1 1 56 56 HIS H H 1 8.406 0.02 . 1 . . . . 56 HIS H . 18567 1 201 . 1 1 56 56 HIS C C 13 175.495 0.3 . 1 . . . . 56 HIS C . 18567 1 202 . 1 1 56 56 HIS CA C 13 57.101 0.3 . 1 . . . . 56 HIS CA . 18567 1 203 . 1 1 56 56 HIS CB C 13 30.529 0.3 . 1 . . . . 56 HIS CB . 18567 1 204 . 1 1 56 56 HIS N N 15 118.328 0.3 . 1 . . . . 56 HIS N . 18567 1 205 . 1 1 57 57 LYS H H 1 7.291 0.02 . 1 . . . . 57 LYS H . 18567 1 206 . 1 1 57 57 LYS C C 13 175.42 0.3 . 1 . . . . 57 LYS C . 18567 1 207 . 1 1 57 57 LYS CA C 13 55.86 0.3 . 1 . . . . 57 LYS CA . 18567 1 208 . 1 1 57 57 LYS CB C 13 31.095 0.3 . 1 . . . . 57 LYS CB . 18567 1 209 . 1 1 57 57 LYS N N 15 118.721 0.3 . 1 . . . . 57 LYS N . 18567 1 210 . 1 1 58 58 HIS H H 1 7.457 0.02 . 1 . . . . 58 HIS H . 18567 1 211 . 1 1 58 58 HIS CA C 13 54.158 0.3 . 1 . . . . 58 HIS CA . 18567 1 212 . 1 1 58 58 HIS CB C 13 29.191 0.3 . 1 . . . . 58 HIS CB . 18567 1 213 . 1 1 58 58 HIS N N 15 116.837 0.3 . 1 . . . . 58 HIS N . 18567 1 214 . 1 1 59 59 ALA H H 1 7.713 0.02 . 1 . . . . 59 ALA H . 18567 1 215 . 1 1 59 59 ALA C C 13 177.5 0.3 . 1 . . . . 59 ALA C . 18567 1 216 . 1 1 59 59 ALA CA C 13 52.444 0.3 . 1 . . . . 59 ALA CA . 18567 1 217 . 1 1 59 59 ALA CB C 13 18.464 0.3 . 1 . . . . 59 ALA CB . 18567 1 218 . 1 1 59 59 ALA N N 15 123.866 0.3 . 1 . . . . 59 ALA N . 18567 1 219 . 1 1 60 60 GLY H H 1 8.447 0.02 . 1 . . . . 60 GLY H . 18567 1 220 . 1 1 60 60 GLY C C 13 173.415 0.3 . 1 . . . . 60 GLY C . 18567 1 221 . 1 1 60 60 GLY CA C 13 44.76 0.3 . 1 . . . . 60 GLY CA . 18567 1 222 . 1 1 60 60 GLY N N 15 107.641 0.3 . 1 . . . . 60 GLY N . 18567 1 223 . 1 1 61 61 HIS H H 1 8.117 0.02 . 1 . . . . 61 HIS H . 18567 1 224 . 1 1 61 61 HIS C C 13 173.679 0.3 . 1 . . . . 61 HIS C . 18567 1 225 . 1 1 61 61 HIS CA C 13 54.917 0.3 . 1 . . . . 61 HIS CA . 18567 1 226 . 1 1 61 61 HIS CB C 13 28.717 0.3 . 1 . . . . 61 HIS CB . 18567 1 227 . 1 1 61 61 HIS N N 15 117.993 0.3 . 1 . . . . 61 HIS N . 18567 1 228 . 1 1 62 62 TYR H H 1 8.045 0.02 . 1 . . . . 62 TYR H . 18567 1 229 . 1 1 62 62 TYR C C 13 174.625 0.3 . 1 . . . . 62 TYR C . 18567 1 230 . 1 1 62 62 TYR CA C 13 56.816 0.3 . 1 . . . . 62 TYR CA . 18567 1 231 . 1 1 62 62 TYR CB C 13 38.305 0.3 . 1 . . . . 62 TYR CB . 18567 1 232 . 1 1 62 62 TYR N N 15 120.61 0.3 . 1 . . . . 62 TYR N . 18567 1 233 . 1 1 63 63 ALA H H 1 8.219 0.02 . 1 . . . . 63 ALA H . 18567 1 234 . 1 1 63 63 ALA C C 13 177.084 0.3 . 1 . . . . 63 ALA C . 18567 1 235 . 1 1 63 63 ALA CA C 13 51.4 0.3 . 1 . . . . 63 ALA CA . 18567 1 236 . 1 1 63 63 ALA CB C 13 18.665 0.3 . 1 . . . . 63 ALA CB . 18567 1 237 . 1 1 63 63 ALA N N 15 125.883 0.3 . 1 . . . . 63 ALA N . 18567 1 238 . 1 1 64 64 ARG H H 1 8.339 0.02 . 1 . . . . 64 ARG H . 18567 1 239 . 1 1 64 64 ARG C C 13 175.722 0.3 . 1 . . . . 64 ARG C . 18567 1 240 . 1 1 64 64 ARG CA C 13 55.962 0.3 . 1 . . . . 64 ARG CA . 18567 1 241 . 1 1 64 64 ARG CB C 13 29.476 0.3 . 1 . . . . 64 ARG CB . 18567 1 242 . 1 1 64 64 ARG N N 15 120.435 0.3 . 1 . . . . 64 ARG N . 18567 1 243 . 1 1 65 65 ASP H H 1 8.189 0.02 . 1 . . . . 65 ASP H . 18567 1 244 . 1 1 65 65 ASP C C 13 176.327 0.3 . 1 . . . . 65 ASP C . 18567 1 245 . 1 1 65 65 ASP CA C 13 53.298 0.3 . 1 . . . . 65 ASP CA . 18567 1 246 . 1 1 65 65 ASP CB C 13 40.299 0.3 . 1 . . . . 65 ASP CB . 18567 1 247 . 1 1 65 65 ASP N N 15 120.014 0.3 . 1 . . . . 65 ASP N . 18567 1 248 . 1 1 66 66 GLY H H 1 8.368 0.02 . 1 . . . . 66 GLY H . 18567 1 249 . 1 1 66 66 GLY C C 13 173.831 0.3 . 1 . . . . 66 GLY C . 18567 1 250 . 1 1 66 66 GLY CA C 13 44.663 0.3 . 1 . . . . 66 GLY CA . 18567 1 251 . 1 1 66 66 GLY N N 15 109.2 0.3 . 1 . . . . 66 GLY N . 18567 1 252 . 1 1 67 67 SER H H 1 8.245 0.02 . 1 . . . . 67 SER H . 18567 1 253 . 1 1 67 67 SER C C 13 175.1 0.3 . 1 . . . . 67 SER C . 18567 1 254 . 1 1 67 67 SER CA C 13 57.947 0.3 . 1 . . . . 67 SER CA . 18567 1 255 . 1 1 67 67 SER CB C 13 63.356 0.3 . 1 . . . . 67 SER CB . 18567 1 256 . 1 1 67 67 SER N N 15 115.739 0.3 . 1 . . . . 67 SER N . 18567 1 257 . 1 1 68 68 THR H H 1 8.417 0.02 . 1 . . . . 68 THR H . 18567 1 258 . 1 1 68 68 THR C C 13 174.285 0.3 . 1 . . . . 68 THR C . 18567 1 259 . 1 1 68 68 THR CA C 13 61.932 0.3 . 1 . . . . 68 THR CA . 18567 1 260 . 1 1 68 68 THR CB C 13 68.859 0.3 . 1 . . . . 68 THR CB . 18567 1 261 . 1 1 68 68 THR N N 15 115.837 0.3 . 1 . . . . 68 THR N . 18567 1 262 . 1 1 69 69 ALA H H 1 8.368 0.02 . 1 . . . . 69 ALA H . 18567 1 263 . 1 1 69 69 ALA C C 13 177.387 0.3 . 1 . . . . 69 ALA C . 18567 1 264 . 1 1 69 69 ALA CA C 13 52.444 0.3 . 1 . . . . 69 ALA CA . 18567 1 265 . 1 1 69 69 ALA CB C 13 18.38 0.3 . 1 . . . . 69 ALA CB . 18567 1 266 . 1 1 69 69 ALA N N 15 125.438 0.3 . 1 . . . . 69 ALA N . 18567 1 267 . 1 1 70 70 SER H H 1 8.24 0.02 . 1 . . . . 70 SER H . 18567 1 268 . 1 1 70 70 SER C C 13 174.323 0.3 . 1 . . . . 70 SER C . 18567 1 269 . 1 1 70 70 SER CA C 13 58.422 0.3 . 1 . . . . 70 SER CA . 18567 1 270 . 1 1 70 70 SER CB C 13 62.976 0.3 . 1 . . . . 70 SER CB . 18567 1 271 . 1 1 70 70 SER N N 15 114.469 0.3 . 1 . . . . 70 SER N . 18567 1 272 . 1 1 71 71 ASP H H 1 8.314 0.02 . 1 . . . . 71 ASP H . 18567 1 273 . 1 1 71 71 ASP C C 13 175.457 0.3 . 1 . . . . 71 ASP C . 18567 1 274 . 1 1 71 71 ASP CA C 13 54.152 0.3 . 1 . . . . 71 ASP CA . 18567 1 275 . 1 1 71 71 ASP CB C 13 40.393 0.3 . 1 . . . . 71 ASP CB . 18567 1 276 . 1 1 71 71 ASP N N 15 121.882 0.3 . 1 . . . . 71 ASP N . 18567 1 277 . 1 1 72 72 ALA H H 1 8.123 0.02 . 1 . . . . 72 ALA H . 18567 1 278 . 1 1 72 72 ALA C C 13 177.198 0.3 . 1 . . . . 72 ALA C . 18567 1 279 . 1 1 72 72 ALA CA C 13 51.685 0.3 . 1 . . . . 72 ALA CA . 18567 1 280 . 1 1 72 72 ALA CB C 13 18.475 0.3 . 1 . . . . 72 ALA CB . 18567 1 281 . 1 1 72 72 ALA N N 15 122.98 0.3 . 1 . . . . 72 ALA N . 18567 1 282 . 1 1 73 73 GLY H H 1 8.266 0.02 . 1 . . . . 73 GLY H . 18567 1 283 . 1 1 73 73 GLY C C 13 173.188 0.3 . 1 . . . . 73 GLY C . 18567 1 284 . 1 1 73 73 GLY CA C 13 44.948 0.3 . 1 . . . . 73 GLY CA . 18567 1 285 . 1 1 73 73 GLY N N 15 107.044 0.3 . 1 . . . . 73 GLY N . 18567 1 286 . 1 1 74 74 GLU H H 1 8.517 0.02 . 1 . . . . 74 GLU H . 18567 1 287 . 1 1 74 74 GLU C C 13 173.519 0.3 . 1 . . . . 74 GLU C . 18567 1 288 . 1 1 74 74 GLU CA C 13 54.816 0.3 . 1 . . . . 74 GLU CA . 18567 1 289 . 1 1 74 74 GLU CB C 13 31.379 0.3 . 1 . . . . 74 GLU CB . 18567 1 290 . 1 1 74 74 GLU N N 15 121.975 0.3 . 1 . . . . 74 GLU N . 18567 1 291 . 1 1 75 75 THR H H 1 8.22 0.02 . 1 . . . . 75 THR H . 18567 1 292 . 1 1 75 75 THR C C 13 175.306 0.3 . 1 . . . . 75 THR C . 18567 1 293 . 1 1 75 75 THR CA C 13 62.217 0.3 . 1 . . . . 75 THR CA . 18567 1 294 . 1 1 75 75 THR CB C 13 68.574 0.3 . 1 . . . . 75 THR CB . 18567 1 295 . 1 1 75 75 THR N N 15 107.572 0.3 . 1 . . . . 75 THR N . 18567 1 296 . 1 1 76 76 HIS H H 1 7.832 0.02 . 1 . . . . 76 HIS H . 18567 1 297 . 1 1 76 76 HIS C C 13 172.847 0.3 . 1 . . . . 76 HIS C . 18567 1 298 . 1 1 76 76 HIS CA C 13 55.67 0.3 . 1 . . . . 76 HIS CA . 18567 1 299 . 1 1 76 76 HIS CB C 13 32.613 0.3 . 1 . . . . 76 HIS CB . 18567 1 300 . 1 1 76 76 HIS N N 15 122.562 0.3 . 1 . . . . 76 HIS N . 18567 1 301 . 1 1 77 77 PHE H H 1 7.972 0.02 . 1 . . . . 77 PHE H . 18567 1 302 . 1 1 77 77 PHE C C 13 175.722 0.3 . 1 . . . . 77 PHE C . 18567 1 303 . 1 1 77 77 PHE CA C 13 57.663 0.3 . 1 . . . . 77 PHE CA . 18567 1 304 . 1 1 77 77 PHE CB C 13 43.525 0.3 . 1 . . . . 77 PHE CB . 18567 1 305 . 1 1 77 77 PHE N N 15 116.13 0.3 . 1 . . . . 77 PHE N . 18567 1 306 . 1 1 78 78 ARG H H 1 9.393 0.02 . 1 . . . . 78 ARG H . 18567 1 307 . 1 1 78 78 ARG C C 13 174.854 0.3 . 1 . . . . 78 ARG C . 18567 1 308 . 1 1 78 78 ARG CA C 13 54.531 0.3 . 1 . . . . 78 ARG CA . 18567 1 309 . 1 1 78 78 ARG CB C 13 32.613 0.3 . 1 . . . . 78 ARG CB . 18567 1 310 . 1 1 78 78 ARG N N 15 121.854 0.3 . 1 . . . . 78 ARG N . 18567 1 311 . 1 1 79 79 LEU H H 1 8.614 0.02 . 1 . . . . 79 LEU H . 18567 1 312 . 1 1 79 79 LEU C C 13 173.566 0.3 . 1 . . . . 79 LEU C . 18567 1 313 . 1 1 79 79 LEU CA C 13 52.444 0.3 . 1 . . . . 79 LEU CA . 18567 1 314 . 1 1 79 79 LEU CB C 13 44.758 0.3 . 1 . . . . 79 LEU CB . 18567 1 315 . 1 1 79 79 LEU N N 15 123.859 0.3 . 1 . . . . 79 LEU N . 18567 1 316 . 1 1 80 80 GLU H H 1 9.234 0.02 . 1 . . . . 80 GLU H . 18567 1 317 . 1 1 80 80 GLU C C 13 174.02 0.3 . 1 . . . . 80 GLU C . 18567 1 318 . 1 1 80 80 GLU CA C 13 59.75 0.3 . 1 . . . . 80 GLU CA . 18567 1 319 . 1 1 80 80 GLU CB C 13 30.146 0.3 . 1 . . . . 80 GLU CB . 18567 1 320 . 1 1 80 80 GLU N N 15 126.84 0.3 . 1 . . . . 80 GLU N . 18567 1 321 . 1 1 81 81 VAL H H 1 8.583 0.02 . 1 . . . . 81 VAL H . 18567 1 322 . 1 1 81 81 VAL C C 13 173.301 0.3 . 1 . . . . 81 VAL C . 18567 1 323 . 1 1 81 81 VAL CA C 13 59.94 0.3 . 1 . . . . 81 VAL CA . 18567 1 324 . 1 1 81 81 VAL CB C 13 34.795 0.3 . 1 . . . . 81 VAL CB . 18567 1 325 . 1 1 81 81 VAL N N 15 119.171 0.3 . 1 . . . . 81 VAL N . 18567 1 326 . 1 1 82 82 THR H H 1 8.823 0.02 . 1 . . . . 82 THR H . 18567 1 327 . 1 1 82 82 THR C C 13 173.642 0.3 . 1 . . . . 82 THR C . 18567 1 328 . 1 1 82 82 THR CA C 13 59.181 0.3 . 1 . . . . 82 THR CA . 18567 1 329 . 1 1 82 82 THR CB C 13 68.669 0.3 . 1 . . . . 82 THR CB . 18567 1 330 . 1 1 82 82 THR N N 15 127.148 0.3 . 1 . . . . 82 THR N . 18567 1 331 . 1 1 83 83 SER H H 1 8.939 0.02 . 1 . . . . 83 SER H . 18567 1 332 . 1 1 83 83 SER C C 13 174.55 0.3 . 1 . . . . 83 SER C . 18567 1 333 . 1 1 83 83 SER CA C 13 56.05 0.3 . 1 . . . . 83 SER CA . 18567 1 334 . 1 1 83 83 SER CB C 13 63.356 0.3 . 1 . . . . 83 SER CB . 18567 1 335 . 1 1 83 83 SER N N 15 117.236 0.3 . 1 . . . . 83 SER N . 18567 1 336 . 1 1 84 84 ASP H H 1 9.19 0.02 . 1 . . . . 84 ASP H . 18567 1 337 . 1 1 84 84 ASP C C 13 177.16 0.3 . 1 . . . . 84 ASP C . 18567 1 338 . 1 1 84 84 ASP CA C 13 56.334 0.3 . 1 . . . . 84 ASP CA . 18567 1 339 . 1 1 84 84 ASP CB C 13 40.204 0.3 . 1 . . . . 84 ASP CB . 18567 1 340 . 1 1 84 84 ASP N N 15 130.628 0.3 . 1 . . . . 84 ASP N . 18567 1 341 . 1 1 85 85 ALA H H 1 8.665 0.02 . 1 . . . . 85 ALA H . 18567 1 342 . 1 1 85 85 ALA C C 13 177.424 0.3 . 1 . . . . 85 ALA C . 18567 1 343 . 1 1 85 85 ALA CA C 13 53.013 0.3 . 1 . . . . 85 ALA CA . 18567 1 344 . 1 1 85 85 ALA CB C 13 17.716 0.3 . 1 . . . . 85 ALA CB . 18567 1 345 . 1 1 85 85 ALA N N 15 122.589 0.3 . 1 . . . . 85 ALA N . 18567 1 346 . 1 1 86 86 PHE H H 1 6.71 0.02 . 1 . . . . 86 PHE H . 18567 1 347 . 1 1 86 86 PHE C C 13 174.474 0.3 . 1 . . . . 86 PHE C . 18567 1 348 . 1 1 86 86 PHE CA C 13 53.962 0.3 . 1 . . . . 86 PHE CA . 18567 1 349 . 1 1 86 86 PHE CB C 13 37.167 0.3 . 1 . . . . 86 PHE CB . 18567 1 350 . 1 1 86 86 PHE N N 15 111.325 0.3 . 1 . . . . 86 PHE N . 18567 1 351 . 1 1 87 87 LYS H H 1 7.515 0.02 . 1 . . . . 87 LYS H . 18567 1 352 . 1 1 87 87 LYS C C 13 176.857 0.3 . 1 . . . . 87 LYS C . 18567 1 353 . 1 1 87 87 LYS CA C 13 58.232 0.3 . 1 . . . . 87 LYS CA . 18567 1 354 . 1 1 87 87 LYS CB C 13 31.379 0.3 . 1 . . . . 87 LYS CB . 18567 1 355 . 1 1 87 87 LYS N N 15 120.471 0.3 . 1 . . . . 87 LYS N . 18567 1 356 . 1 1 88 88 GLY H H 1 9.09 0.02 . 1 . . . . 88 GLY H . 18567 1 357 . 1 1 88 88 GLY C C 13 173.339 0.3 . 1 . . . . 88 GLY C . 18567 1 358 . 1 1 88 88 GLY CA C 13 44.758 0.3 . 1 . . . . 88 GLY CA . 18567 1 359 . 1 1 88 88 GLY N N 15 113.642 0.3 . 1 . . . . 88 GLY N . 18567 1 360 . 1 1 89 89 LEU H H 1 7.958 0.02 . 1 . . . . 89 LEU H . 18567 1 361 . 1 1 89 89 LEU C C 13 178.105 0.3 . 1 . . . . 89 LEU C . 18567 1 362 . 1 1 89 89 LEU CA C 13 53.108 0.3 . 1 . . . . 89 LEU CA . 18567 1 363 . 1 1 89 89 LEU CB C 13 44.815 0.3 . 1 . . . . 89 LEU CB . 18567 1 364 . 1 1 89 89 LEU N N 15 120.043 0.3 . 1 . . . . 89 LEU N . 18567 1 365 . 1 1 90 90 THR H H 1 7.851 0.02 . 1 . . . . 90 THR H . 18567 1 366 . 1 1 90 90 THR C C 13 174.285 0.3 . 1 . . . . 90 THR C . 18567 1 367 . 1 1 90 90 THR CA C 13 60.225 0.3 . 1 . . . . 90 THR CA . 18567 1 368 . 1 1 90 90 THR CB C 13 69.334 0.3 . 1 . . . . 90 THR CB . 18567 1 369 . 1 1 90 90 THR N N 15 114.99 0.3 . 1 . . . . 90 THR N . 18567 1 370 . 1 1 91 91 LEU H H 1 8.651 0.02 . 1 . . . . 91 LEU H . 18567 1 371 . 1 1 91 91 LEU C C 13 178.03 0.3 . 1 . . . . 91 LEU C . 18567 1 372 . 1 1 91 91 LEU CA C 13 59.181 0.3 . 1 . . . . 91 LEU CA . 18567 1 373 . 1 1 91 91 LEU CB C 13 40.393 0.3 . 1 . . . . 91 LEU CB . 18567 1 374 . 1 1 91 91 LEU N N 15 122.821 0.3 . 1 . . . . 91 LEU N . 18567 1 375 . 1 1 92 92 VAL H H 1 7.99 0.02 . 1 . . . . 92 VAL H . 18567 1 376 . 1 1 92 92 VAL C C 13 177.765 0.3 . 1 . . . . 92 VAL C . 18567 1 377 . 1 1 92 92 VAL CA C 13 65.253 0.3 . 1 . . . . 92 VAL CA . 18567 1 378 . 1 1 92 92 VAL CB C 13 30.715 0.3 . 1 . . . . 92 VAL CB . 18567 1 379 . 1 1 92 92 VAL N N 15 114.283 0.3 . 1 . . . . 92 VAL N . 18567 1 380 . 1 1 93 93 LYS H H 1 7.14 0.02 . 1 . . . . 93 LYS H . 18567 1 381 . 1 1 93 93 LYS C C 13 179.429 0.3 . 1 . . . . 93 LYS C . 18567 1 382 . 1 1 93 93 LYS CA C 13 58.232 0.3 . 1 . . . . 93 LYS CA . 18567 1 383 . 1 1 93 93 LYS CB C 13 32.044 0.3 . 1 . . . . 93 LYS CB . 18567 1 384 . 1 1 93 93 LYS N N 15 119.841 0.3 . 1 . . . . 93 LYS N . 18567 1 385 . 1 1 94 94 ARG H H 1 8.528 0.02 . 1 . . . . 94 ARG H . 18567 1 386 . 1 1 94 94 ARG C C 13 176.857 0.3 . 1 . . . . 94 ARG C . 18567 1 387 . 1 1 94 94 ARG CA C 13 59.276 0.3 . 1 . . . . 94 ARG CA . 18567 1 388 . 1 1 94 94 ARG CB C 13 28.912 0.3 . 1 . . . . 94 ARG CB . 18567 1 389 . 1 1 94 94 ARG N N 15 121.222 0.3 . 1 . . . . 94 ARG N . 18567 1 390 . 1 1 95 95 HIS H H 1 8.145 0.02 . 1 . . . . 95 HIS H . 18567 1 391 . 1 1 95 95 HIS C C 13 176.819 0.3 . 1 . . . . 95 HIS C . 18567 1 392 . 1 1 95 95 HIS CA C 13 57.188 0.3 . 1 . . . . 95 HIS CA . 18567 1 393 . 1 1 95 95 HIS CB C 13 28.817 0.3 . 1 . . . . 95 HIS CB . 18567 1 394 . 1 1 95 95 HIS N N 15 116.41 0.3 . 1 . . . . 95 HIS N . 18567 1 395 . 1 1 96 96 GLN H H 1 8.451 0.02 . 1 . . . . 96 GLN H . 18567 1 396 . 1 1 96 96 GLN C C 13 178.068 0.3 . 1 . . . . 96 GLN C . 18567 1 397 . 1 1 96 96 GLN CA C 13 58.327 0.3 . 1 . . . . 96 GLN CA . 18567 1 398 . 1 1 96 96 GLN CB C 13 27.584 0.3 . 1 . . . . 96 GLN CB . 18567 1 399 . 1 1 96 96 GLN N N 15 117.748 0.3 . 1 . . . . 96 GLN N . 18567 1 400 . 1 1 97 97 LEU H H 1 7.892 0.02 . 1 . . . . 97 LEU H . 18567 1 401 . 1 1 97 97 LEU C C 13 179.013 0.3 . 1 . . . . 97 LEU C . 18567 1 402 . 1 1 97 97 LEU CA C 13 57.947 0.3 . 1 . . . . 97 LEU CA . 18567 1 403 . 1 1 97 97 LEU CB C 13 41.627 0.3 . 1 . . . . 97 LEU CB . 18567 1 404 . 1 1 97 97 LEU N N 15 121.924 0.3 . 1 . . . . 97 LEU N . 18567 1 405 . 1 1 98 98 ILE H H 1 7.17 0.02 . 1 . . . . 98 ILE H . 18567 1 406 . 1 1 98 98 ILE C C 13 177.198 0.3 . 1 . . . . 98 ILE C . 18567 1 407 . 1 1 98 98 ILE CA C 13 63.071 0.3 . 1 . . . . 98 ILE CA . 18567 1 408 . 1 1 98 98 ILE CB C 13 34.89 0.3 . 1 . . . . 98 ILE CB . 18567 1 409 . 1 1 98 98 ILE N N 15 117.792 0.3 . 1 . . . . 98 ILE N . 18567 1 410 . 1 1 99 99 TYR H H 1 8.678 0.02 . 1 . . . . 99 TYR H . 18567 1 411 . 1 1 99 99 TYR C C 13 179.278 0.3 . 1 . . . . 99 TYR C . 18567 1 412 . 1 1 99 99 TYR CA C 13 63.128 0.3 . 1 . . . . 99 TYR CA . 18567 1 413 . 1 1 99 99 TYR CB C 13 36.503 0.3 . 1 . . . . 99 TYR CB . 18567 1 414 . 1 1 99 99 TYR N N 15 118.375 0.3 . 1 . . . . 99 TYR N . 18567 1 415 . 1 1 100 100 GLY H H 1 8.414 0.02 . 1 . . . . 100 GLY H . 18567 1 416 . 1 1 100 100 GLY C C 13 175.722 0.3 . 1 . . . . 100 GLY C . 18567 1 417 . 1 1 100 100 GLY CA C 13 46.276 0.3 . 1 . . . . 100 GLY CA . 18567 1 418 . 1 1 100 100 GLY N N 15 104.597 0.3 . 1 . . . . 100 GLY N . 18567 1 419 . 1 1 101 101 LEU H H 1 7.76 0.02 . 1 . . . . 101 LEU H . 18567 1 420 . 1 1 101 101 LEU C C 13 178.37 0.3 . 1 . . . . 101 LEU C . 18567 1 421 . 1 1 101 101 LEU CA C 13 56.05 0.3 . 1 . . . . 101 LEU CA . 18567 1 422 . 1 1 101 101 LEU CB C 13 42.481 0.3 . 1 . . . . 101 LEU CB . 18567 1 423 . 1 1 101 101 LEU N N 15 121.169 0.3 . 1 . . . . 101 LEU N . 18567 1 424 . 1 1 102 102 LEU H H 1 7.472 0.02 . 1 . . . . 102 LEU H . 18567 1 425 . 1 1 102 102 LEU C C 13 176.025 0.3 . 1 . . . . 102 LEU C . 18567 1 426 . 1 1 102 102 LEU CA C 13 55.082 0.3 . 1 . . . . 102 LEU CA . 18567 1 427 . 1 1 102 102 LEU CB C 13 43.313 0.3 . 1 . . . . 102 LEU CB . 18567 1 428 . 1 1 102 102 LEU N N 15 115.881 0.3 . 1 . . . . 102 LEU N . 18567 1 429 . 1 1 103 103 SER H H 1 7.962 0.02 . 1 . . . . 103 SER H . 18567 1 430 . 1 1 103 103 SER C C 13 177.16 0.3 . 1 . . . . 103 SER C . 18567 1 431 . 1 1 103 103 SER CA C 13 61.265 0.3 . 1 . . . . 103 SER CA . 18567 1 432 . 1 1 103 103 SER CB C 13 64.34 0.3 . 1 . . . . 103 SER CB . 18567 1 433 . 1 1 103 103 SER N N 15 126.115 0.3 . 1 . . . . 103 SER N . 18567 1 434 . 1 1 104 104 ASP H H 1 8.988 0.02 . 1 . . . . 104 ASP H . 18567 1 435 . 1 1 104 104 ASP C C 13 177.689 0.3 . 1 . . . . 104 ASP C . 18567 1 436 . 1 1 104 104 ASP CA C 13 56.809 0.3 . 1 . . . . 104 ASP CA . 18567 1 437 . 1 1 104 104 ASP CB C 13 38.686 0.3 . 1 . . . . 104 ASP CB . 18567 1 438 . 1 1 104 104 ASP N N 15 119.77 0.3 . 1 . . . . 104 ASP N . 18567 1 439 . 1 1 105 105 GLU H H 1 7.964 0.02 . 1 . . . . 105 GLU H . 18567 1 440 . 1 1 105 105 GLU C C 13 178.257 0.3 . 1 . . . . 105 GLU C . 18567 1 441 . 1 1 105 105 GLU CA C 13 60.889 0.3 . 1 . . . . 105 GLU CA . 18567 1 442 . 1 1 105 105 GLU CB C 13 27.204 0.3 . 1 . . . . 105 GLU CB . 18567 1 443 . 1 1 105 105 GLU N N 15 123.658 0.3 . 1 . . . . 105 GLU N . 18567 1 444 . 1 1 106 106 PHE H H 1 7.906 0.02 . 1 . . . . 106 PHE H . 18567 1 445 . 1 1 106 106 PHE C C 13 178.597 0.3 . 1 . . . . 106 PHE C . 18567 1 446 . 1 1 106 106 PHE CA C 13 61.268 0.3 . 1 . . . . 106 PHE CA . 18567 1 447 . 1 1 106 106 PHE CB C 13 37.737 0.3 . 1 . . . . 106 PHE CB . 18567 1 448 . 1 1 106 106 PHE N N 15 118.409 0.3 . 1 . . . . 106 PHE N . 18567 1 449 . 1 1 107 107 LYS H H 1 7.694 0.02 . 1 . . . . 107 LYS H . 18567 1 450 . 1 1 107 107 LYS C C 13 176.933 0.3 . 1 . . . . 107 LYS C . 18567 1 451 . 1 1 107 107 LYS CA C 13 58.042 0.3 . 1 . . . . 107 LYS CA . 18567 1 452 . 1 1 107 107 LYS CB C 13 31.379 0.3 . 1 . . . . 107 LYS CB . 18567 1 453 . 1 1 107 107 LYS N N 15 119.416 0.3 . 1 . . . . 107 LYS N . 18567 1 454 . 1 1 108 108 ALA H H 1 7.477 0.02 . 1 . . . . 108 ALA H . 18567 1 455 . 1 1 108 108 ALA C C 13 176.214 0.3 . 1 . . . . 108 ALA C . 18567 1 456 . 1 1 108 108 ALA CA C 13 51.59 0.3 . 1 . . . . 108 ALA CA . 18567 1 457 . 1 1 108 108 ALA CB C 13 18.475 0.3 . 1 . . . . 108 ALA CB . 18567 1 458 . 1 1 108 108 ALA N N 15 120.329 0.3 . 1 . . . . 108 ALA N . 18567 1 459 . 1 1 109 109 GLY H H 1 7.488 0.02 . 1 . . . . 109 GLY H . 18567 1 460 . 1 1 109 109 GLY C C 13 173.642 0.3 . 1 . . . . 109 GLY C . 18567 1 461 . 1 1 109 109 GLY CA C 13 44.758 0.3 . 1 . . . . 109 GLY CA . 18567 1 462 . 1 1 109 109 GLY N N 15 104.704 0.3 . 1 . . . . 109 GLY N . 18567 1 463 . 1 1 110 110 LEU H H 1 7.805 0.02 . 1 . . . . 110 LEU H . 18567 1 464 . 1 1 110 110 LEU C C 13 174.323 0.3 . 1 . . . . 110 LEU C . 18567 1 465 . 1 1 110 110 LEU CA C 13 55.575 0.3 . 1 . . . . 110 LEU CA . 18567 1 466 . 1 1 110 110 LEU CB C 13 41.437 0.3 . 1 . . . . 110 LEU CB . 18567 1 467 . 1 1 110 110 LEU N N 15 123.173 0.3 . 1 . . . . 110 LEU N . 18567 1 468 . 1 1 111 111 HIS H H 1 9.452 0.02 . 1 . . . . 111 HIS H . 18567 1 469 . 1 1 111 111 HIS C C 13 174.474 0.3 . 1 . . . . 111 HIS C . 18567 1 470 . 1 1 111 111 HIS CA C 13 55.575 0.3 . 1 . . . . 111 HIS CA . 18567 1 471 . 1 1 111 111 HIS CB C 13 30.051 0.3 . 1 . . . . 111 HIS CB . 18567 1 472 . 1 1 111 111 HIS N N 15 124.289 0.3 . 1 . . . . 111 HIS N . 18567 1 473 . 1 1 112 112 ALA H H 1 7.9 0.02 . 1 . . . . 112 ALA H . 18567 1 474 . 1 1 112 112 ALA C C 13 173.831 0.3 . 1 . . . . 112 ALA C . 18567 1 475 . 1 1 112 112 ALA CA C 13 51.495 0.3 . 1 . . . . 112 ALA CA . 18567 1 476 . 1 1 112 112 ALA CB C 13 22.27 0.3 . 1 . . . . 112 ALA CB . 18567 1 477 . 1 1 112 112 ALA N N 15 119.264 0.3 . 1 . . . . 112 ALA N . 18567 1 478 . 1 1 113 113 LEU H H 1 8.694 0.02 . 1 . . . . 113 LEU H . 18567 1 479 . 1 1 113 113 LEU C C 13 175.586 0.3 . 1 . . . . 113 LEU C . 18567 1 480 . 1 1 113 113 LEU CA C 13 51.88 0.3 . 1 . . . . 113 LEU CA . 18567 1 481 . 1 1 113 113 LEU CB C 13 48.399 0.3 . 1 . . . . 113 LEU CB . 18567 1 482 . 1 1 113 113 LEU N N 15 120.243 0.3 . 1 . . . . 113 LEU N . 18567 1 483 . 1 1 114 114 ALA H H 1 8.302 0.02 . 1 . . . . 114 ALA H . 18567 1 484 . 1 1 114 114 ALA C C 13 176.857 0.3 . 1 . . . . 114 ALA C . 18567 1 485 . 1 1 114 114 ALA CA C 13 56.151 0.3 . 1 . . . . 114 ALA CA . 18567 1 486 . 1 1 114 114 ALA CB C 13 18.369 0.3 . 1 . . . . 114 ALA CB . 18567 1 487 . 1 1 114 114 ALA N N 15 118.869 0.3 . 1 . . . . 114 ALA N . 18567 1 488 . 1 1 115 115 MET H H 1 8.941 0.02 . 1 . . . . 115 MET H . 18567 1 489 . 1 1 115 115 MET C C 13 174.777 0.3 . 1 . . . . 115 MET C . 18567 1 490 . 1 1 115 115 MET CA C 13 54.531 0.3 . 1 . . . . 115 MET CA . 18567 1 491 . 1 1 115 115 MET CB C 13 36.883 0.3 . 1 . . . . 115 MET CB . 18567 1 492 . 1 1 115 115 MET N N 15 122.739 0.3 . 1 . . . . 115 MET N . 18567 1 493 . 1 1 116 116 THR H H 1 8.725 0.02 . 1 . . . . 116 THR H . 18567 1 494 . 1 1 116 116 THR C C 13 173.642 0.3 . 1 . . . . 116 THR C . 18567 1 495 . 1 1 116 116 THR CA C 13 61.363 0.3 . 1 . . . . 116 THR CA . 18567 1 496 . 1 1 116 116 THR CB C 13 69.808 0.3 . 1 . . . . 116 THR CB . 18567 1 497 . 1 1 116 116 THR N N 15 119.563 0.3 . 1 . . . . 116 THR N . 18567 1 498 . 1 1 117 117 THR H H 1 9.045 0.02 . 1 . . . . 117 THR H . 18567 1 499 . 1 1 117 117 THR C C 13 174.814 0.3 . 1 . . . . 117 THR C . 18567 1 500 . 1 1 117 117 THR CA C 13 58 0.3 . 1 . . . . 117 THR CA . 18567 1 501 . 1 1 117 117 THR CB C 13 69.144 0.3 . 1 . . . . 117 THR CB . 18567 1 502 . 1 1 117 117 THR N N 15 117.42 0.3 . 1 . . . . 117 THR N . 18567 1 503 . 1 1 118 118 LYS H H 1 8.604 0.02 . 1 . . . . 118 LYS H . 18567 1 504 . 1 1 118 118 LYS C C 13 175.117 0.3 . 1 . . . . 118 LYS C . 18567 1 505 . 1 1 118 118 LYS CA C 13 54.247 0.3 . 1 . . . . 118 LYS CA . 18567 1 506 . 1 1 118 118 LYS CB C 13 36.313 0.3 . 1 . . . . 118 LYS CB . 18567 1 507 . 1 1 118 118 LYS N N 15 125.33 0.3 . 1 . . . . 118 LYS N . 18567 1 508 . 1 1 119 119 THR H H 1 8.604 0.02 . 1 . . . . 119 THR H . 18567 1 509 . 1 1 119 119 THR C C 13 175.811 0.3 . 1 . . . . 119 THR C . 18567 1 510 . 1 1 119 119 THR CA C 13 58.801 0.3 . 1 . . . . 119 THR CA . 18567 1 511 . 1 1 119 119 THR CB C 13 67.056 0.3 . 1 . . . . 119 THR CB . 18567 1 512 . 1 1 119 119 THR N N 15 111.934 0.3 . 1 . . . . 119 THR N . 18567 1 513 . 1 1 120 120 PRO C C 13 176.29 0.3 . 1 . . . . 120 PRO C . 18567 1 514 . 1 1 121 121 ALA H H 1 7.703 0.02 . 1 . . . . 121 ALA H . 18567 1 515 . 1 1 121 121 ALA C C 13 177.803 0.3 . 1 . . . . 121 ALA C . 18567 1 516 . 1 1 121 121 ALA CA C 13 52.064 0.3 . 1 . . . . 121 ALA CA . 18567 1 517 . 1 1 121 121 ALA CB C 13 18.475 0.3 . 1 . . . . 121 ALA CB . 18567 1 518 . 1 1 121 121 ALA N N 15 116.789 0.3 . 1 . . . . 121 ALA N . 18567 1 519 . 1 1 122 122 GLU H H 1 7.518 0.02 . 1 . . . . 122 GLU H . 18567 1 520 . 1 1 122 122 GLU C C 13 175.344 0.3 . 1 . . . . 122 GLU C . 18567 1 521 . 1 1 122 122 GLU CA C 13 55.385 0.3 . 1 . . . . 122 GLU CA . 18567 1 522 . 1 1 122 122 GLU CB C 13 29.766 0.3 . 1 . . . . 122 GLU CB . 18567 1 523 . 1 1 122 122 GLU N N 15 119.118 0.3 . 1 . . . . 122 GLU N . 18567 1 524 . 1 1 123 123 GLN H H 1 7.825 0.02 . 1 . . . . 123 GLN H . 18567 1 525 . 1 1 123 123 GLN C C 13 181.273 0.3 . 1 . . . . 123 GLN C . 18567 1 526 . 1 1 123 123 GLN CA C 13 57.188 0.3 . 1 . . . . 123 GLN CA . 18567 1 527 . 1 1 123 123 GLN CB C 13 29.197 0.3 . 1 . . . . 123 GLN CB . 18567 1 528 . 1 1 123 123 GLN N N 15 125.396 0.3 . 1 . . . . 123 GLN N . 18567 1 stop_ save_