################################### # 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 27510 _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 'Reference offset for Nitrogen can be corrected by - 0.9 ppm.' _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' . . . 27510 1 2 '3D HNCA' . . . 27510 1 3 '3D CBCA(CO)NH' . . . 27510 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27510 1 2 $CARA_1.2 . . 27510 1 3 $MddNMR . . 27510 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.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 4 4 SER CA C 13 57.252 0.3 . 1 . . . . . 2 SER CA . 27510 1 2 . 1 1 4 4 SER CB C 13 64.341 0.3 . 1 . . . . . 2 SER CB . 27510 1 3 . 1 1 5 5 PHE H H 1 9.572 0.025 . 1 . . . . . 3 PHE H . 27510 1 4 . 1 1 5 5 PHE CA C 13 59.98 0.3 . 1 . . . . . 3 PHE CA . 27510 1 5 . 1 1 5 5 PHE CB C 13 40.64 0.3 . 1 . . . . . 3 PHE CB . 27510 1 6 . 1 1 5 5 PHE N N 15 119.702 0.3 . 1 . . . . . 3 PHE N . 27510 1 7 . 1 1 6 6 SER H H 1 8.354 0.025 . 1 . . . . . 4 SER H . 27510 1 8 . 1 1 6 6 SER CA C 13 60 0.3 . 1 . . . . . 4 SER CA . 27510 1 9 . 1 1 6 6 SER CB C 13 63.81 0.3 . 1 . . . . . 4 SER CB . 27510 1 10 . 1 1 6 6 SER N N 15 114.054 0.3 . 1 . . . . . 4 SER N . 27510 1 11 . 1 1 7 7 GLY H H 1 9.013 0.025 . 1 . . . . . 5 GLY H . 27510 1 12 . 1 1 7 7 GLY CA C 13 44.954 0.3 . 1 . . . . . 5 GLY CA . 27510 1 13 . 1 1 7 7 GLY N N 15 108.974 0.3 . 1 . . . . . 5 GLY N . 27510 1 14 . 1 1 8 8 LYS H H 1 8.227 0.025 . 1 . . . . . 6 LYS H . 27510 1 15 . 1 1 8 8 LYS CA C 13 54.874 0.3 . 1 . . . . . 6 LYS CA . 27510 1 16 . 1 1 8 8 LYS CB C 13 34.711 0.3 . 1 . . . . . 6 LYS CB . 27510 1 17 . 1 1 8 8 LYS N N 15 117.419 0.3 . 1 . . . . . 6 LYS N . 27510 1 18 . 1 1 9 9 TYR H H 1 9.135 0.025 . 1 . . . . . 7 TYR H . 27510 1 19 . 1 1 9 9 TYR CA C 13 56.678 0.3 . 1 . . . . . 7 TYR CA . 27510 1 20 . 1 1 9 9 TYR CB C 13 42.264 0.3 . 1 . . . . . 7 TYR CB . 27510 1 21 . 1 1 9 9 TYR N N 15 117.274 0.3 . 1 . . . . . 7 TYR N . 27510 1 22 . 1 1 10 10 GLN H H 1 9.078 0.025 . 1 . . . . . 8 GLN H . 27510 1 23 . 1 1 10 10 GLN CA C 13 53.924 0.3 . 1 . . . . . 8 GLN CA . 27510 1 24 . 1 1 10 10 GLN CB C 13 32.011 0.3 . 1 . . . . . 8 GLN CB . 27510 1 25 . 1 1 10 10 GLN N N 15 119.63 0.3 . 1 . . . . . 8 GLN N . 27510 1 26 . 1 1 11 11 LEU H H 1 8.435 0.025 . 1 . . . . . 9 LEU H . 27510 1 27 . 1 1 11 11 LEU CA C 13 57.062 0.3 . 1 . . . . . 9 LEU CA . 27510 1 28 . 1 1 11 11 LEU CB C 13 42.117 0.3 . 1 . . . . . 9 LEU CB . 27510 1 29 . 1 1 11 11 LEU N N 15 130.531 0.3 . 1 . . . . . 9 LEU N . 27510 1 30 . 1 1 12 12 GLN H H 1 10.026 0.025 . 1 . . . . . 10 GLN H . 27510 1 31 . 1 1 12 12 GLN CA C 13 56.281 0.3 . 1 . . . . . 10 GLN CA . 27510 1 32 . 1 1 12 12 GLN CB C 13 31.427 0.3 . 1 . . . . . 10 GLN CB . 27510 1 33 . 1 1 12 12 GLN N N 15 123.433 0.3 . 1 . . . . . 10 GLN N . 27510 1 34 . 1 1 13 13 SER H H 1 8.044 0.025 . 1 . . . . . 11 SER H . 27510 1 35 . 1 1 13 13 SER CA C 13 57.805 0.3 . 1 . . . . . 11 SER CA . 27510 1 36 . 1 1 13 13 SER CB C 13 64.831 0.3 . 1 . . . . . 11 SER CB . 27510 1 37 . 1 1 13 13 SER N N 15 108.248 0.3 . 1 . . . . . 11 SER N . 27510 1 38 . 1 1 14 14 GLN H H 1 8.451 0.025 . 1 . . . . . 12 GLN H . 27510 1 39 . 1 1 14 14 GLN CA C 13 54.639 0.3 . 1 . . . . . 12 GLN CA . 27510 1 40 . 1 1 14 14 GLN CB C 13 33.153 0.3 . 1 . . . . . 12 GLN CB . 27510 1 41 . 1 1 14 14 GLN N N 15 115.157 0.3 . 1 . . . . . 12 GLN N . 27510 1 42 . 1 1 15 15 GLU H H 1 9.258 0.025 . 1 . . . . . 13 GLU H . 27510 1 43 . 1 1 15 15 GLU CA C 13 55.299 0.3 . 1 . . . . . 13 GLU CA . 27510 1 44 . 1 1 15 15 GLU CB C 13 33.131 0.3 . 1 . . . . . 13 GLU CB . 27510 1 45 . 1 1 15 15 GLU N N 15 120.109 0.3 . 1 . . . . . 13 GLU N . 27510 1 46 . 1 1 16 16 ASN H H 1 9.276 0.025 . 1 . . . . . 14 ASN H . 27510 1 47 . 1 1 16 16 ASN CA C 13 54.321 0.3 . 1 . . . . . 14 ASN CA . 27510 1 48 . 1 1 16 16 ASN CB C 13 36.692 0.3 . 1 . . . . . 14 ASN CB . 27510 1 49 . 1 1 16 16 ASN N N 15 115.762 0.3 . 1 . . . . . 14 ASN N . 27510 1 50 . 1 1 17 17 PHE H H 1 8.321 0.025 . 1 . . . . . 15 PHE H . 27510 1 51 . 1 1 17 17 PHE CA C 13 61.984 0.3 . 1 . . . . . 15 PHE CA . 27510 1 52 . 1 1 17 17 PHE CB C 13 39.707 0.3 . 1 . . . . . 15 PHE CB . 27510 1 53 . 1 1 17 17 PHE N N 15 115.942 0.3 . 1 . . . . . 15 PHE N . 27510 1 54 . 1 1 18 18 GLU H H 1 9.297 0.025 . 1 . . . . . 16 GLU H . 27510 1 55 . 1 1 18 18 GLU CA C 13 61.156 0.3 . 1 . . . . . 16 GLU CA . 27510 1 56 . 1 1 18 18 GLU CB C 13 28.713 0.3 . 1 . . . . . 16 GLU CB . 27510 1 57 . 1 1 18 18 GLU N N 15 115.938 0.3 . 1 . . . . . 16 GLU N . 27510 1 58 . 1 1 19 19 ALA H H 1 8.233 0.025 . 1 . . . . . 17 ALA H . 27510 1 59 . 1 1 19 19 ALA CA C 13 54.851 0.3 . 1 . . . . . 17 ALA CA . 27510 1 60 . 1 1 19 19 ALA CB C 13 18.354 0.3 . 1 . . . . . 17 ALA CB . 27510 1 61 . 1 1 19 19 ALA N N 15 117.371 0.3 . 1 . . . . . 17 ALA N . 27510 1 62 . 1 1 20 20 PHE H H 1 7.781 0.025 . 1 . . . . . 18 PHE H . 27510 1 63 . 1 1 20 20 PHE CA C 13 62.019 0.3 . 1 . . . . . 18 PHE CA . 27510 1 64 . 1 1 20 20 PHE CB C 13 40.13 0.3 . 1 . . . . . 18 PHE CB . 27510 1 65 . 1 1 20 20 PHE N N 15 116.12 0.3 . 1 . . . . . 18 PHE N . 27510 1 66 . 1 1 21 21 MET H H 1 8.101 0.025 . 1 . . . . . 19 MET H . 27510 1 67 . 1 1 21 21 MET CA C 13 56.281 0.3 . 1 . . . . . 19 MET CA . 27510 1 68 . 1 1 21 21 MET CB C 13 31.347 0.3 . 1 . . . . . 19 MET CB . 27510 1 69 . 1 1 21 21 MET N N 15 112.181 0.3 . 1 . . . . . 19 MET N . 27510 1 70 . 1 1 22 22 LYS H H 1 8.218 0.025 . 1 . . . . . 20 LYS H . 27510 1 71 . 1 1 22 22 LYS CA C 13 59.227 0.3 . 1 . . . . . 20 LYS CA . 27510 1 72 . 1 1 22 22 LYS CB C 13 31.901 0.3 . 1 . . . . . 20 LYS CB . 27510 1 73 . 1 1 22 22 LYS N N 15 116.842 0.3 . 1 . . . . . 20 LYS N . 27510 1 74 . 1 1 23 23 ALA H H 1 7.466 0.025 . 1 . . . . . 21 ALA H . 27510 1 75 . 1 1 23 23 ALA CA C 13 54.867 0.3 . 1 . . . . . 21 ALA CA . 27510 1 76 . 1 1 23 23 ALA CB C 13 17.853 0.3 . 1 . . . . . 21 ALA CB . 27510 1 77 . 1 1 23 23 ALA N N 15 120.6 0.3 . 1 . . . . . 21 ALA N . 27510 1 78 . 1 1 24 24 ILE H H 1 7.244 0.025 . 1 . . . . . 22 ILE H . 27510 1 79 . 1 1 24 24 ILE CA C 13 61.105 0.3 . 1 . . . . . 22 ILE CA . 27510 1 80 . 1 1 24 24 ILE CB C 13 37.234 0.3 . 1 . . . . . 22 ILE CB . 27510 1 81 . 1 1 24 24 ILE N N 15 108.784 0.3 . 1 . . . . . 22 ILE N . 27510 1 82 . 1 1 25 25 GLY H H 1 7.466 0.025 . 1 . . . . . 23 GLY H . 27510 1 83 . 1 1 25 25 GLY CA C 13 45.525 0.3 . 1 . . . . . 23 GLY CA . 27510 1 84 . 1 1 25 25 GLY N N 15 106.136 0.3 . 1 . . . . . 23 GLY N . 27510 1 85 . 1 1 26 26 LEU H H 1 7.647 0.025 . 1 . . . . . 24 LEU H . 27510 1 86 . 1 1 26 26 LEU CA C 13 53.535 0.3 . 1 . . . . . 24 LEU CA . 27510 1 87 . 1 1 26 26 LEU CB C 13 42.087 0.3 . 1 . . . . . 24 LEU CB . 27510 1 88 . 1 1 26 26 LEU N N 15 121.442 0.3 . 1 . . . . . 24 LEU N . 27510 1 89 . 1 1 27 27 PRO CA C 13 62.878 0.3 . 1 . . . . . 25 PRO CA . 27510 1 90 . 1 1 27 27 PRO CB C 13 32.397 0.3 . 1 . . . . . 25 PRO CB . 27510 1 91 . 1 1 28 28 GLU H H 1 8.728 0.025 . 1 . . . . . 26 GLU H . 27510 1 92 . 1 1 28 28 GLU CA C 13 59.982 0.3 . 1 . . . . . 26 GLU CA . 27510 1 93 . 1 1 28 28 GLU CB C 13 29.506 0.3 . 1 . . . . . 26 GLU CB . 27510 1 94 . 1 1 28 28 GLU N N 15 121.564 0.3 . 1 . . . . . 26 GLU N . 27510 1 95 . 1 1 29 29 GLU H H 1 9.275 0.025 . 1 . . . . . 27 GLU H . 27510 1 96 . 1 1 29 29 GLU CA C 13 59.589 0.3 . 1 . . . . . 27 GLU CA . 27510 1 97 . 1 1 29 29 GLU CB C 13 28.738 0.3 . 1 . . . . . 27 GLU CB . 27510 1 98 . 1 1 29 29 GLU N N 15 115.034 0.3 . 1 . . . . . 27 GLU N . 27510 1 99 . 1 1 30 30 LEU H H 1 7.191 0.025 . 1 . . . . . 28 LEU H . 27510 1 100 . 1 1 30 30 LEU CA C 13 56.855 0.3 . 1 . . . . . 28 LEU CA . 27510 1 101 . 1 1 30 30 LEU CB C 13 41.303 0.3 . 1 . . . . . 28 LEU CB . 27510 1 102 . 1 1 30 30 LEU N N 15 115.52 0.3 . 1 . . . . . 28 LEU N . 27510 1 103 . 1 1 31 31 ILE H H 1 7.72 0.025 . 1 . . . . . 29 ILE H . 27510 1 104 . 1 1 31 31 ILE CA C 13 65.862 0.3 . 1 . . . . . 29 ILE CA . 27510 1 105 . 1 1 31 31 ILE CB C 13 32.904 0.3 . 9 . . . . . 29 ILE CB . 27510 1 106 . 1 1 31 31 ILE N N 15 119.873 0.3 . 1 . . . . . 29 ILE N . 27510 1 107 . 1 1 32 32 GLN H H 1 8.161 0.025 . 1 . . . . . 30 GLN H . 27510 1 108 . 1 1 32 32 GLN CA C 13 58.457 0.3 . 1 . . . . . 30 GLN CA . 27510 1 109 . 1 1 32 32 GLN CB C 13 28.149 0.3 . 1 . . . . . 30 GLN CB . 27510 1 110 . 1 1 32 32 GLN N N 15 114.372 0.3 . 1 . . . . . 30 GLN N . 27510 1 111 . 1 1 33 33 LYS H H 1 7.467 0.025 . 1 . . . . . 31 LYS H . 27510 1 112 . 1 1 33 33 LYS CA C 13 58.337 0.3 . 1 . . . . . 31 LYS CA . 27510 1 113 . 1 1 33 33 LYS CB C 13 32.878 0.3 . 1 . . . . . 31 LYS CB . 27510 1 114 . 1 1 33 33 LYS N N 15 114.265 0.3 . 1 . . . . . 31 LYS N . 27510 1 115 . 1 1 34 34 GLY H H 1 7.886 0.025 . 1 . . . . . 32 GLY H . 27510 1 116 . 1 1 34 34 GLY CA C 13 45.988 0.3 . 1 . . . . . 32 GLY CA . 27510 1 117 . 1 1 34 34 GLY N N 15 103.045 0.3 . 1 . . . . . 32 GLY N . 27510 1 118 . 1 1 35 35 LYS H H 1 7.436 0.025 . 1 . . . . . 33 LYS H . 27510 1 119 . 1 1 35 35 LYS CA C 13 58.303 0.3 . 1 . . . . . 33 LYS CA . 27510 1 120 . 1 1 35 35 LYS CB C 13 32.224 0.3 . 1 . . . . . 33 LYS CB . 27510 1 121 . 1 1 35 35 LYS N N 15 116.396 0.3 . 1 . . . . . 33 LYS N . 27510 1 122 . 1 1 36 36 ASP H H 1 7.662 0.025 . 1 . . . . . 34 ASP H . 27510 1 123 . 1 1 36 36 ASP CA C 13 54.322 0.3 . 1 . . . . . 34 ASP CA . 27510 1 124 . 1 1 36 36 ASP CB C 13 41.185 0.3 . 1 . . . . . 34 ASP CB . 27510 1 125 . 1 1 36 36 ASP N N 15 115.817 0.3 . 1 . . . . . 34 ASP N . 27510 1 126 . 1 1 37 37 ILE H H 1 7.336 0.025 . 1 . . . . . 35 ILE H . 27510 1 127 . 1 1 37 37 ILE CA C 13 61.169 0.3 . 1 . . . . . 35 ILE CA . 27510 1 128 . 1 1 37 37 ILE CB C 13 37.496 0.3 . 1 . . . . . 35 ILE CB . 27510 1 129 . 1 1 37 37 ILE N N 15 117.923 0.3 . 1 . . . . . 35 ILE N . 27510 1 130 . 1 1 38 38 LYS H H 1 8.306 0.025 . 1 . . . . . 36 LYS H . 27510 1 131 . 1 1 38 38 LYS CA C 13 55.487 0.3 . 1 . . . . . 36 LYS CA . 27510 1 132 . 1 1 38 38 LYS CB C 13 32.887 0.3 . 1 . . . . . 36 LYS CB . 27510 1 133 . 1 1 38 38 LYS N N 15 124.621 0.3 . 1 . . . . . 36 LYS N . 27510 1 134 . 1 1 39 39 GLY H H 1 7.996 0.025 . 1 . . . . . 37 GLY H . 27510 1 135 . 1 1 39 39 GLY CA C 13 45.337 0.3 . 1 . . . . . 37 GLY CA . 27510 1 136 . 1 1 39 39 GLY N N 15 108.375 0.3 . 1 . . . . . 37 GLY N . 27510 1 137 . 1 1 40 40 VAL H H 1 7.925 0.025 . 1 . . . . . 38 VAL H . 27510 1 138 . 1 1 40 40 VAL CA C 13 60.963 0.3 . 1 . . . . . 38 VAL CA . 27510 1 139 . 1 1 40 40 VAL CB C 13 34.983 0.3 . 1 . . . . . 38 VAL CB . 27510 1 140 . 1 1 40 40 VAL N N 15 116.966 0.3 . 1 . . . . . 38 VAL N . 27510 1 141 . 1 1 41 41 SER H H 1 9.118 0.025 . 1 . . . . . 39 SER H . 27510 1 142 . 1 1 41 41 SER CA C 13 56.897 0.3 . 1 . . . . . 39 SER CA . 27510 1 143 . 1 1 41 41 SER CB C 13 66.761 0.3 . 1 . . . . . 39 SER CB . 27510 1 144 . 1 1 41 41 SER N N 15 121.086 0.3 . 1 . . . . . 39 SER N . 27510 1 145 . 1 1 42 42 GLU H H 1 9.406 0.025 . 1 . . . . . 40 GLU H . 27510 1 146 . 1 1 42 42 GLU CA C 13 55.094 0.3 . 1 . . . . . 40 GLU CA . 27510 1 147 . 1 1 42 42 GLU CB C 13 33.366 0.3 . 1 . . . . . 40 GLU CB . 27510 1 148 . 1 1 42 42 GLU N N 15 121.28 0.3 . 1 . . . . . 40 GLU N . 27510 1 149 . 1 1 43 43 ILE H H 1 9.331 0.025 . 1 . . . . . 41 ILE H . 27510 1 150 . 1 1 43 43 ILE CA C 13 59.993 0.3 . 1 . . . . . 41 ILE CA . 27510 1 151 . 1 1 43 43 ILE CB C 13 39.854 0.3 . 1 . . . . . 41 ILE CB . 27510 1 152 . 1 1 43 43 ILE N N 15 122.898 0.3 . 1 . . . . . 41 ILE N . 27510 1 153 . 1 1 44 44 VAL H H 1 9.076 0.025 . 1 . . . . . 42 VAL H . 27510 1 154 . 1 1 44 44 VAL CA C 13 62.417 0.3 . 1 . . . . . 42 VAL CA . 27510 1 155 . 1 1 44 44 VAL CB C 13 33.824 0.3 . 1 . . . . . 42 VAL CB . 27510 1 156 . 1 1 44 44 VAL N N 15 125.936 0.3 . 1 . . . . . 42 VAL N . 27510 1 157 . 1 1 45 45 GLN H H 1 8.639 0.025 . 1 . . . . . 43 GLN H . 27510 1 158 . 1 1 45 45 GLN CA C 13 53.787 0.3 . 1 . . . . . 43 GLN CA . 27510 1 159 . 1 1 45 45 GLN CB C 13 29.957 0.3 . 1 . . . . . 43 GLN CB . 27510 1 160 . 1 1 45 45 GLN N N 15 128.715 0.3 . 1 . . . . . 43 GLN N . 27510 1 161 . 1 1 46 46 ASN H H 1 8.838 0.025 . 1 . . . . . 44 ASN H . 27510 1 162 . 1 1 46 46 ASN CA C 13 52.226 0.3 . 1 . . . . . 44 ASN CA . 27510 1 163 . 1 1 46 46 ASN CB C 13 39.312 0.3 . 1 . . . . . 44 ASN CB . 27510 1 164 . 1 1 46 46 ASN N N 15 124.358 0.3 . 1 . . . . . 44 ASN N . 27510 1 165 . 1 1 47 47 GLY H H 1 9.096 0.025 . 1 . . . . . 45 GLY H . 27510 1 166 . 1 1 47 47 GLY CA C 13 47.484 0.3 . 1 . . . . . 45 GLY CA . 27510 1 167 . 1 1 47 47 GLY N N 15 113.721 0.3 . 1 . . . . . 45 GLY N . 27510 1 168 . 1 1 48 48 LYS H H 1 8.719 0.025 . 1 . . . . . 46 LYS H . 27510 1 169 . 1 1 48 48 LYS CA C 13 56.466 0.3 . 1 . . . . . 46 LYS CA . 27510 1 170 . 1 1 48 48 LYS CB C 13 33.379 0.3 . 1 . . . . . 46 LYS CB . 27510 1 171 . 1 1 48 48 LYS N N 15 123.504 0.3 . 1 . . . . . 46 LYS N . 27510 1 172 . 1 1 49 49 HIS H H 1 8.096 0.025 . 1 . . . . . 47 HIS H . 27510 1 173 . 1 1 49 49 HIS CA C 13 55.312 0.3 . 1 . . . . . 47 HIS CA . 27510 1 174 . 1 1 49 49 HIS CB C 13 30.143 0.3 . 1 . . . . . 47 HIS CB . 27510 1 175 . 1 1 49 49 HIS N N 15 117.162 0.3 . 1 . . . . . 47 HIS N . 27510 1 176 . 1 1 50 50 PHE H H 1 8.689 0.025 . 1 . . . . . 48 PHE H . 27510 1 177 . 1 1 50 50 PHE CA C 13 56.863 0.3 . 1 . . . . . 48 PHE CA . 27510 1 178 . 1 1 50 50 PHE CB C 13 43.978 0.3 . 1 . . . . . 48 PHE CB . 27510 1 179 . 1 1 50 50 PHE N N 15 122.317 0.3 . 1 . . . . . 48 PHE N . 27510 1 180 . 1 1 51 51 LYS H H 1 8.398 0.025 . 1 . . . . . 49 LYS H . 27510 1 181 . 1 1 51 51 LYS CA C 13 55.497 0.3 . 1 . . . . . 49 LYS CA . 27510 1 182 . 1 1 51 51 LYS CB C 13 35.777 0.3 . 1 . . . . . 49 LYS CB . 27510 1 183 . 1 1 51 51 LYS N N 15 116.845 0.3 . 1 . . . . . 49 LYS N . 27510 1 184 . 1 1 52 52 PHE H H 1 9.437 0.025 . 1 . . . . . 50 PHE H . 27510 1 185 . 1 1 52 52 PHE CA C 13 56.869 0.3 . 1 . . . . . 50 PHE CA . 27510 1 186 . 1 1 52 52 PHE CB C 13 43.502 0.3 . 1 . . . . . 50 PHE CB . 27510 1 187 . 1 1 52 52 PHE N N 15 124.116 0.3 . 1 . . . . . 50 PHE N . 27510 1 188 . 1 1 53 53 THR H H 1 9.429 0.025 . 1 . . . . . 51 THR H . 27510 1 189 . 1 1 53 53 THR CA C 13 62.729 0.3 . 1 . . . . . 51 THR CA . 27510 1 190 . 1 1 53 53 THR CB C 13 69.869 0.3 . 9 . . . . . 51 THR CB . 27510 1 191 . 1 1 53 53 THR N N 15 119.388 0.3 . 1 . . . . . 51 THR N . 27510 1 192 . 1 1 54 54 ILE CA C 13 60.51 0.3 . 1 . . . . . 52 ILE CA . 27510 1 193 . 1 1 54 54 ILE CB C 13 42.29 0.3 . 9 . . . . . 52 ILE CB . 27510 1 194 . 1 1 55 55 THR H H 1 8.622 0.025 . 1 . . . . . 53 THR H . 27510 1 195 . 1 1 55 55 THR CA C 13 62.129 0.3 . 1 . . . . . 53 THR CA . 27510 1 196 . 1 1 55 55 THR CB C 13 69.189 0.3 . 1 . . . . . 53 THR CB . 27510 1 197 . 1 1 55 55 THR N N 15 119.752 0.3 . 1 . . . . . 53 THR N . 27510 1 198 . 1 1 56 56 ALA H H 1 8.655 0.025 . 1 . . . . . 54 ALA H . 27510 1 199 . 1 1 56 56 ALA CA C 13 50.817 0.3 . 1 . . . . . 54 ALA CA . 27510 1 200 . 1 1 56 56 ALA CB C 13 19.607 0.3 . 1 . . . . . 54 ALA CB . 27510 1 201 . 1 1 56 56 ALA N N 15 127.996 0.3 . 1 . . . . . 54 ALA N . 27510 1 202 . 1 1 57 57 GLY H H 1 8.802 0.025 . 1 . . . . . 55 GLY H . 27510 1 203 . 1 1 57 57 GLY CA C 13 47.105 0.3 . 1 . . . . . 55 GLY CA . 27510 1 204 . 1 1 57 57 GLY N N 15 111.641 0.3 . 1 . . . . . 55 GLY N . 27510 1 205 . 1 1 58 58 SER H H 1 8.696 0.025 . 1 . . . . . 56 SER H . 27510 1 206 . 1 1 58 58 SER CA C 13 58.632 0.3 . 1 . . . . . 56 SER CA . 27510 1 207 . 1 1 58 58 SER CB C 13 63.299 0.3 . 1 . . . . . 56 SER CB . 27510 1 208 . 1 1 58 58 SER N N 15 118.547 0.3 . 1 . . . . . 56 SER N . 27510 1 209 . 1 1 59 59 ALA H H 1 7.833 0.025 . 1 . . . . . 57 ALA H . 27510 1 210 . 1 1 59 59 ALA CA C 13 51.605 0.3 . 1 . . . . . 57 ALA CA . 27510 1 211 . 1 1 59 59 ALA CB C 13 20.668 0.3 . 1 . . . . . 57 ALA CB . 27510 1 212 . 1 1 59 59 ALA N N 15 123.21 0.3 . 1 . . . . . 57 ALA N . 27510 1 213 . 1 1 60 60 VAL H H 1 8.116 0.025 . 1 . . . . . 58 VAL H . 27510 1 214 . 1 1 60 60 VAL CA C 13 61.576 0.3 . 1 . . . . . 58 VAL CA . 27510 1 215 . 1 1 60 60 VAL CB C 13 33.115 0.3 . 1 . . . . . 58 VAL CB . 27510 1 216 . 1 1 60 60 VAL N N 15 118.553 0.3 . 1 . . . . . 58 VAL N . 27510 1 217 . 1 1 61 61 ILE H H 1 9.102 0.025 . 1 . . . . . 59 ILE H . 27510 1 218 . 1 1 61 61 ILE CA C 13 60.335 0.3 . 1 . . . . . 59 ILE CA . 27510 1 219 . 1 1 61 61 ILE CB C 13 40.57 0.3 . 1 . . . . . 59 ILE CB . 27510 1 220 . 1 1 61 61 ILE N N 15 124.776 0.3 . 1 . . . . . 59 ILE N . 27510 1 221 . 1 1 62 62 GLN H H 1 8.919 0.025 . 1 . . . . . 60 GLN H . 27510 1 222 . 1 1 62 62 GLN CA C 13 54.506 0.3 . 1 . . . . . 60 GLN CA . 27510 1 223 . 1 1 62 62 GLN CB C 13 31.618 0.3 . 1 . . . . . 60 GLN CB . 27510 1 224 . 1 1 62 62 GLN N N 15 125.806 0.3 . 1 . . . . . 60 GLN N . 27510 1 225 . 1 1 63 63 ASN H H 1 8.826 0.025 . 1 . . . . . 61 ASN H . 27510 1 226 . 1 1 63 63 ASN CA C 13 52.954 0.3 . 1 . . . . . 61 ASN CA . 27510 1 227 . 1 1 63 63 ASN CB C 13 45.47 0.3 . 1 . . . . . 61 ASN CB . 27510 1 228 . 1 1 63 63 ASN N N 15 117.955 0.3 . 1 . . . . . 61 ASN N . 27510 1 229 . 1 1 64 64 GLU H H 1 8.944 0.025 . 1 . . . . . 62 GLU H . 27510 1 230 . 1 1 64 64 GLU CA C 13 55.13 0.3 . 1 . . . . . 62 GLU CA . 27510 1 231 . 1 1 64 64 GLU CB C 13 33.343 0.3 . 1 . . . . . 62 GLU CB . 27510 1 232 . 1 1 64 64 GLU N N 15 118.909 0.3 . 1 . . . . . 62 GLU N . 27510 1 233 . 1 1 65 65 PHE H H 1 8.18 0.025 . 1 . . . . . 63 PHE H . 27510 1 234 . 1 1 65 65 PHE CA C 13 56.514 0.3 . 1 . . . . . 63 PHE CA . 27510 1 235 . 1 1 65 65 PHE CB C 13 41.138 0.3 . 1 . . . . . 63 PHE CB . 27510 1 236 . 1 1 65 65 PHE N N 15 114.15 0.3 . 1 . . . . . 63 PHE N . 27510 1 237 . 1 1 66 66 THR H H 1 9.176 0.025 . 1 . . . . . 64 THR H . 27510 1 238 . 1 1 66 66 THR CA C 13 61.069 0.3 . 1 . . . . . 64 THR CA . 27510 1 239 . 1 1 66 66 THR CB C 13 70.414 0.3 . 1 . . . . . 64 THR CB . 27510 1 240 . 1 1 66 66 THR N N 15 116.247 0.3 . 1 . . . . . 64 THR N . 27510 1 241 . 1 1 67 67 VAL H H 1 9.043 0.025 . 1 . . . . . 65 VAL H . 27510 1 242 . 1 1 67 67 VAL CA C 13 64.285 0.3 . 1 . . . . . 65 VAL CA . 27510 1 243 . 1 1 67 67 VAL CB C 13 31.688 0.3 . 1 . . . . . 65 VAL CB . 27510 1 244 . 1 1 67 67 VAL N N 15 123.025 0.3 . 1 . . . . . 65 VAL N . 27510 1 245 . 1 1 68 68 GLY H H 1 8.869 0.025 . 1 . . . . . 66 GLY H . 27510 1 246 . 1 1 68 68 GLY CA C 13 45.523 0.3 . 1 . . . . . 66 GLY CA . 27510 1 247 . 1 1 68 68 GLY N N 15 107.641 0.3 . 1 . . . . . 66 GLY N . 27510 1 248 . 1 1 69 69 GLU H H 1 7.722 0.025 . 1 . . . . . 67 GLU H . 27510 1 249 . 1 1 69 69 GLU CA C 13 54.184 0.3 . 1 . . . . . 67 GLU CA . 27510 1 250 . 1 1 69 69 GLU CB C 13 31.679 0.3 . 1 . . . . . 67 GLU CB . 27510 1 251 . 1 1 69 69 GLU N N 15 116.9 0.3 . 1 . . . . . 67 GLU N . 27510 1 252 . 1 1 70 70 GLU H H 1 8.923 0.025 . 1 . . . . . 68 GLU H . 27510 1 253 . 1 1 70 70 GLU CA C 13 58.063 0.3 . 1 . . . . . 68 GLU CA . 27510 1 254 . 1 1 70 70 GLU CB C 13 29.792 0.3 . 1 . . . . . 68 GLU CB . 27510 1 255 . 1 1 70 70 GLU N N 15 123.63 0.3 . 1 . . . . . 68 GLU N . 27510 1 256 . 1 1 71 71 CYS H H 1 9.127 0.025 . 1 . . . . . 69 CYS H . 27510 1 257 . 1 1 71 71 CYS CA C 13 55.387 0.3 . 1 . . . . . 69 CYS CA . 27510 1 258 . 1 1 71 71 CYS CB C 13 31.767 0.3 . 1 . . . . . 69 CYS CB . 27510 1 259 . 1 1 71 71 CYS N N 15 119.028 0.3 . 1 . . . . . 69 CYS N . 27510 1 260 . 1 1 72 72 GLU H H 1 8.345 0.025 . 1 . . . . . 70 GLU H . 27510 1 261 . 1 1 72 72 GLU CA C 13 55.079 0.3 . 1 . . . . . 70 GLU CA . 27510 1 262 . 1 1 72 72 GLU CB C 13 31.544 0.3 . 1 . . . . . 70 GLU CB . 27510 1 263 . 1 1 72 72 GLU N N 15 117.699 0.3 . 1 . . . . . 70 GLU N . 27510 1 264 . 1 1 73 73 LEU H H 1 8.884 0.025 . 1 . . . . . 71 LEU H . 27510 1 265 . 1 1 73 73 LEU CA C 13 52.787 0.3 . 1 . . . . . 71 LEU CA . 27510 1 266 . 1 1 73 73 LEU CB C 13 44.033 0.3 . 1 . . . . . 71 LEU CB . 27510 1 267 . 1 1 73 73 LEU N N 15 123.509 0.3 . 1 . . . . . 71 LEU N . 27510 1 268 . 1 1 74 74 GLU H H 1 9.535 0.025 . 1 . . . . . 72 GLU H . 27510 1 269 . 1 1 74 74 GLU CA C 13 55.297 0.3 . 1 . . . . . 72 GLU CA . 27510 1 270 . 1 1 74 74 GLU CB C 13 30.441 0.3 . 1 . . . . . 72 GLU CB . 27510 1 271 . 1 1 74 74 GLU N N 15 121.436 0.3 . 1 . . . . . 72 GLU N . 27510 1 272 . 1 1 75 75 THR H H 1 8.191 0.025 . 1 . . . . . 73 THR H . 27510 1 273 . 1 1 75 75 THR CA C 13 60.057 0.3 . 1 . . . . . 73 THR CA . 27510 1 274 . 1 1 75 75 THR CB C 13 71.932 0.3 . 1 . . . . . 73 THR CB . 27510 1 275 . 1 1 75 75 THR N N 15 109.948 0.3 . 1 . . . . . 73 THR N . 27510 1 276 . 1 1 76 76 MET H H 1 9.521 0.025 . 1 . . . . . 74 MET H . 27510 1 277 . 1 1 76 76 MET CA C 13 58.358 0.3 . 1 . . . . . 74 MET CA . 27510 1 278 . 1 1 76 76 MET CB C 13 33.817 0.3 . 1 . . . . . 74 MET CB . 27510 1 279 . 1 1 76 76 MET N N 15 114.016 0.3 . 1 . . . . . 74 MET N . 27510 1 280 . 1 1 77 77 THR H H 1 7.416 0.025 . 1 . . . . . 75 THR H . 27510 1 281 . 1 1 77 77 THR CA C 13 61.461 0.3 . 1 . . . . . 75 THR CA . 27510 1 282 . 1 1 77 77 THR CB C 13 68.56 0.3 . 1 . . . . . 75 THR CB . 27510 1 283 . 1 1 77 77 THR N N 15 102.08 0.3 . 1 . . . . . 75 THR N . 27510 1 284 . 1 1 78 78 GLY H H 1 7.816 0.025 . 1 . . . . . 76 GLY H . 27510 1 285 . 1 1 78 78 GLY CA C 13 45.133 0.3 . 1 . . . . . 76 GLY CA . 27510 1 286 . 1 1 78 78 GLY N N 15 108.368 0.3 . 1 . . . . . 76 GLY N . 27510 1 287 . 1 1 79 79 ALA H H 1 7.175 0.025 . 1 . . . . . 77 ALA H . 27510 1 288 . 1 1 79 79 ALA CA C 13 51.429 0.3 . 1 . . . . . 77 ALA CA . 27510 1 289 . 1 1 79 79 ALA CB C 13 19.327 0.3 . 1 . . . . . 77 ALA CB . 27510 1 290 . 1 1 79 79 ALA N N 15 120.387 0.3 . 1 . . . . . 77 ALA N . 27510 1 291 . 1 1 80 80 LYS H H 1 8.282 0.025 . 1 . . . . . 78 LYS H . 27510 1 292 . 1 1 80 80 LYS CA C 13 54.861 0.3 . 1 . . . . . 78 LYS CA . 27510 1 293 . 1 1 80 80 LYS CB C 13 33.881 0.3 . 1 . . . . . 78 LYS CB . 27510 1 294 . 1 1 80 80 LYS N N 15 118.218 0.3 . 1 . . . . . 78 LYS N . 27510 1 295 . 1 1 81 81 VAL H H 1 8.899 0.025 . 1 . . . . . 79 VAL H . 27510 1 296 . 1 1 81 81 VAL CA C 13 59.891 0.3 . 1 . . . . . 79 VAL CA . 27510 1 297 . 1 1 81 81 VAL CB C 13 34.941 0.3 . 1 . . . . . 79 VAL CB . 27510 1 298 . 1 1 81 81 VAL N N 15 118.239 0.3 . 1 . . . . . 79 VAL N . 27510 1 299 . 1 1 82 82 LYS H H 1 8.394 0.025 . 1 . . . . . 80 LYS H . 27510 1 300 . 1 1 82 82 LYS CA C 13 55.291 0.3 . 1 . . . . . 80 LYS CA . 27510 1 301 . 1 1 82 82 LYS CB C 13 32.932 0.3 . 1 . . . . . 80 LYS CB . 27510 1 302 . 1 1 82 82 LYS N N 15 123.508 0.3 . 1 . . . . . 80 LYS N . 27510 1 303 . 1 1 83 83 THR H H 1 8.711 0.025 . 1 . . . . . 81 THR H . 27510 1 304 . 1 1 83 83 THR CA C 13 59.252 0.3 . 1 . . . . . 81 THR CA . 27510 1 305 . 1 1 83 83 THR CB C 13 68.878 0.3 . 1 . . . . . 81 THR CB . 27510 1 306 . 1 1 83 83 THR N N 15 117.766 0.3 . 1 . . . . . 81 THR N . 27510 1 307 . 1 1 84 84 VAL H H 1 8.075 0.025 . 1 . . . . . 82 VAL H . 27510 1 308 . 1 1 84 84 VAL CA C 13 61.38 0.3 . 1 . . . . . 82 VAL CA . 27510 1 309 . 1 1 84 84 VAL CB C 13 35.279 0.3 . 1 . . . . . 82 VAL CB . 27510 1 310 . 1 1 84 84 VAL N N 15 116.963 0.3 . 1 . . . . . 82 VAL N . 27510 1 311 . 1 1 85 85 VAL H H 1 9.689 0.025 . 1 . . . . . 83 VAL H . 27510 1 312 . 1 1 85 85 VAL CA C 13 61.295 0.3 . 1 . . . . . 83 VAL CA . 27510 1 313 . 1 1 85 85 VAL CB C 13 32.037 0.3 . 1 . . . . . 83 VAL CB . 27510 1 314 . 1 1 85 85 VAL N N 15 131.137 0.3 . 1 . . . . . 83 VAL N . 27510 1 315 . 1 1 86 86 GLN H H 1 8.875 0.025 . 1 . . . . . 84 GLN H . 27510 1 316 . 1 1 86 86 GLN CA C 13 53.831 0.3 . 1 . . . . . 84 GLN CA . 27510 1 317 . 1 1 86 86 GLN CB C 13 31.084 0.3 . 1 . . . . . 84 GLN CB . 27510 1 318 . 1 1 86 86 GLN N N 15 122.409 0.3 . 1 . . . . . 84 GLN N . 27510 1 319 . 1 1 87 87 LEU H H 1 8.419 0.025 . 1 . . . . . 85 LEU H . 27510 1 320 . 1 1 87 87 LEU CA C 13 54.114 0.3 . 1 . . . . . 85 LEU CA . 27510 1 321 . 1 1 87 87 LEU CB C 13 44.4 0.3 . 1 . . . . . 85 LEU CB . 27510 1 322 . 1 1 87 87 LEU N N 15 121.203 0.3 . 1 . . . . . 85 LEU N . 27510 1 323 . 1 1 88 88 GLU H H 1 9.032 0.025 . 1 . . . . . 86 GLU H . 27510 1 324 . 1 1 88 88 GLU CA C 13 55.365 0.3 . 1 . . . . . 86 GLU CA . 27510 1 325 . 1 1 88 88 GLU CB C 13 31.396 0.3 . 1 . . . . . 86 GLU CB . 27510 1 326 . 1 1 88 88 GLU N N 15 126.022 0.3 . 1 . . . . . 86 GLU N . 27510 1 327 . 1 1 89 89 GLY H H 1 8.362 0.025 . 1 . . . . . 87 GLY H . 27510 1 328 . 1 1 89 89 GLY CA C 13 45.937 0.3 . 1 . . . . . 87 GLY CA . 27510 1 329 . 1 1 89 89 GLY N N 15 110.303 0.3 . 1 . . . . . 87 GLY N . 27510 1 330 . 1 1 90 90 ASP H H 1 8.454 0.025 . 1 . . . . . 88 ASP H . 27510 1 331 . 1 1 90 90 ASP CA C 13 54.681 0.3 . 1 . . . . . 88 ASP CA . 27510 1 332 . 1 1 90 90 ASP CB C 13 41.584 0.3 . 1 . . . . . 88 ASP CB . 27510 1 333 . 1 1 90 90 ASP N N 15 115.516 0.3 . 1 . . . . . 88 ASP N . 27510 1 334 . 1 1 91 91 ASN H H 1 8.18 0.025 . 1 . . . . . 89 ASN H . 27510 1 335 . 1 1 91 91 ASN CA C 13 53.459 0.3 . 1 . . . . . 89 ASN CA . 27510 1 336 . 1 1 91 91 ASN CB C 13 39.617 0.3 . 1 . . . . . 89 ASN CB . 27510 1 337 . 1 1 91 91 ASN N N 15 112.065 0.3 . 1 . . . . . 89 ASN N . 27510 1 338 . 1 1 92 92 LYS H H 1 7.456 0.025 . 1 . . . . . 90 LYS H . 27510 1 339 . 1 1 92 92 LYS CA C 13 55.293 0.3 . 1 . . . . . 90 LYS CA . 27510 1 340 . 1 1 92 92 LYS CB C 13 35.79 0.3 . 1 . . . . . 90 LYS CB . 27510 1 341 . 1 1 92 92 LYS N N 15 116.197 0.3 . 1 . . . . . 90 LYS N . 27510 1 342 . 1 1 93 93 LEU H H 1 9.033 0.025 . 1 . . . . . 91 LEU H . 27510 1 343 . 1 1 93 93 LEU CA C 13 52.757 0.3 . 1 . . . . . 91 LEU CA . 27510 1 344 . 1 1 93 93 LEU CB C 13 43.979 0.3 . 1 . . . . . 91 LEU CB . 27510 1 345 . 1 1 93 93 LEU N N 15 121.692 0.3 . 1 . . . . . 91 LEU N . 27510 1 346 . 1 1 94 94 VAL H H 1 9.215 0.025 . 1 . . . . . 92 VAL H . 27510 1 347 . 1 1 94 94 VAL CA C 13 60.611 0.3 . 1 . . . . . 92 VAL CA . 27510 1 348 . 1 1 94 94 VAL CB C 13 35.291 0.3 . 1 . . . . . 92 VAL CB . 27510 1 349 . 1 1 94 94 VAL N N 15 120.131 0.3 . 1 . . . . . 92 VAL N . 27510 1 350 . 1 1 95 95 THR H H 1 8.786 0.025 . 1 . . . . . 93 THR H . 27510 1 351 . 1 1 95 95 THR CA C 13 60.776 0.3 . 1 . . . . . 93 THR CA . 27510 1 352 . 1 1 95 95 THR CB C 13 69.161 0.3 . 1 . . . . . 93 THR CB . 27510 1 353 . 1 1 95 95 THR N N 15 118.056 0.3 . 1 . . . . . 93 THR N . 27510 1 354 . 1 1 96 96 THR H H 1 7.95 0.025 . 1 . . . . . 94 THR H . 27510 1 355 . 1 1 96 96 THR CA C 13 59.609 0.3 . 1 . . . . . 94 THR CA . 27510 1 356 . 1 1 96 96 THR CB C 13 71.33 0.3 . 1 . . . . . 94 THR CB . 27510 1 357 . 1 1 96 96 THR N N 15 112.481 0.3 . 1 . . . . . 94 THR N . 27510 1 358 . 1 1 97 97 PHE H H 1 8.68 0.025 . 1 . . . . . 95 PHE H . 27510 1 359 . 1 1 97 97 PHE CA C 13 55.903 0.3 . 1 . . . . . 95 PHE CA . 27510 1 360 . 1 1 97 97 PHE CB C 13 40.096 0.3 . 9 . . . . . 95 PHE CB . 27510 1 361 . 1 1 97 97 PHE N N 15 119.748 0.3 . 1 . . . . . 95 PHE N . 27510 1 362 . 1 1 98 98 ALA CA C 13 54.064 0.3 . 1 . . . . . 96 ALA CA . 27510 1 363 . 1 1 98 98 ALA CB C 13 16.552 0.3 . 1 . . . . . 96 ALA CB . 27510 1 364 . 1 1 99 99 ASN H H 1 8.451 0.025 . 1 . . . . . 97 ASN H . 27510 1 365 . 1 1 99 99 ASN CA C 13 54.321 0.3 . 1 . . . . . 97 ASN CA . 27510 1 366 . 1 1 99 99 ASN CB C 13 37.673 0.3 . 1 . . . . . 97 ASN CB . 27510 1 367 . 1 1 99 99 ASN N N 15 113.402 0.3 . 1 . . . . . 97 ASN N . 27510 1 368 . 1 1 100 100 ILE H H 1 8.285 0.025 . 1 . . . . . 98 ILE H . 27510 1 369 . 1 1 100 100 ILE CA C 13 61.081 0.3 . 1 . . . . . 98 ILE CA . 27510 1 370 . 1 1 100 100 ILE CB C 13 39.405 0.3 . 1 . . . . . 98 ILE CB . 27510 1 371 . 1 1 100 100 ILE N N 15 119.653 0.3 . 1 . . . . . 98 ILE N . 27510 1 372 . 1 1 101 101 LYS H H 1 8.199 0.025 . 1 . . . . . 99 LYS H . 27510 1 373 . 1 1 101 101 LYS CA C 13 55.884 0.3 . 1 . . . . . 99 LYS CA . 27510 1 374 . 1 1 101 101 LYS CB C 13 33.66 0.3 . 1 . . . . . 99 LYS CB . 27510 1 375 . 1 1 101 101 LYS N N 15 125.689 0.3 . 1 . . . . . 99 LYS N . 27510 1 376 . 1 1 102 102 SER H H 1 8.645 0.025 . 1 . . . . . 100 SER H . 27510 1 377 . 1 1 102 102 SER CA C 13 57.049 0.3 . 1 . . . . . 100 SER CA . 27510 1 378 . 1 1 102 102 SER CB C 13 65.321 0.3 . 1 . . . . . 100 SER CB . 27510 1 379 . 1 1 102 102 SER N N 15 117.421 0.3 . 1 . . . . . 100 SER N . 27510 1 380 . 1 1 103 103 VAL H H 1 8.741 0.025 . 1 . . . . . 101 VAL H . 27510 1 381 . 1 1 103 103 VAL CA C 13 61.552 0.3 . 1 . . . . . 101 VAL CA . 27510 1 382 . 1 1 103 103 VAL CB C 13 34.8 0.3 . 1 . . . . . 101 VAL CB . 27510 1 383 . 1 1 103 103 VAL N N 15 126.411 0.3 . 1 . . . . . 101 VAL N . 27510 1 384 . 1 1 104 104 THR H H 1 9.586 0.025 . 1 . . . . . 102 THR H . 27510 1 385 . 1 1 104 104 THR CA C 13 61.947 0.3 . 1 . . . . . 102 THR CA . 27510 1 386 . 1 1 104 104 THR CB C 13 69.852 0.3 . 1 . . . . . 102 THR CB . 27510 1 387 . 1 1 104 104 THR N N 15 127.503 0.3 . 1 . . . . . 102 THR N . 27510 1 388 . 1 1 105 105 GLU H H 1 9.141 0.025 . 1 . . . . . 103 GLU H . 27510 1 389 . 1 1 105 105 GLU CA C 13 54.519 0.3 . 1 . . . . . 103 GLU CA . 27510 1 390 . 1 1 105 105 GLU CB C 13 33.775 0.3 . 1 . . . . . 103 GLU CB . 27510 1 391 . 1 1 105 105 GLU N N 15 124.668 0.3 . 1 . . . . . 103 GLU N . 27510 1 392 . 1 1 106 106 LEU H H 1 8.509 0.025 . 1 . . . . . 104 LEU H . 27510 1 393 . 1 1 106 106 LEU CA C 13 53.926 0.3 . 1 . . . . . 104 LEU CA . 27510 1 394 . 1 1 106 106 LEU CB C 13 45.3 0.3 . 1 . . . . . 104 LEU CB . 27510 1 395 . 1 1 106 106 LEU N N 15 126.833 0.3 . 1 . . . . . 104 LEU N . 27510 1 396 . 1 1 107 107 ASN H H 1 8.927 0.025 . 1 . . . . . 105 ASN H . 27510 1 397 . 1 1 107 107 ASN CA C 13 52.568 0.3 . 1 . . . . . 105 ASN CA . 27510 1 398 . 1 1 107 107 ASN CB C 13 40.109 0.3 . 1 . . . . . 105 ASN CB . 27510 1 399 . 1 1 107 107 ASN N N 15 123.958 0.3 . 1 . . . . . 105 ASN N . 27510 1 400 . 1 1 108 108 GLY H H 1 8.755 0.025 . 1 . . . . . 106 GLY H . 27510 1 401 . 1 1 108 108 GLY CA C 13 47.859 0.3 . 1 . . . . . 106 GLY CA . 27510 1 402 . 1 1 108 108 GLY N N 15 112.847 0.3 . 1 . . . . . 106 GLY N . 27510 1 403 . 1 1 109 109 ASP H H 1 8.736 0.025 . 1 . . . . . 107 ASP H . 27510 1 404 . 1 1 109 109 ASP CA C 13 53.833 0.3 . 1 . . . . . 107 ASP CA . 27510 1 405 . 1 1 109 109 ASP CB C 13 41.653 0.3 . 1 . . . . . 107 ASP CB . 27510 1 406 . 1 1 109 109 ASP N N 15 124.352 0.3 . 1 . . . . . 107 ASP N . 27510 1 407 . 1 1 110 110 ILE H H 1 7.789 0.025 . 1 . . . . . 108 ILE H . 27510 1 408 . 1 1 110 110 ILE CA C 13 58.82 0.3 . 1 . . . . . 108 ILE CA . 27510 1 409 . 1 1 110 110 ILE CB C 13 39.31 0.3 . 1 . . . . . 108 ILE CB . 27510 1 410 . 1 1 110 110 ILE N N 15 117.21 0.3 . 1 . . . . . 108 ILE N . 27510 1 411 . 1 1 111 111 ILE H H 1 8.903 0.025 . 1 . . . . . 109 ILE H . 27510 1 412 . 1 1 111 111 ILE CA C 13 58.618 0.3 . 1 . . . . . 109 ILE CA . 27510 1 413 . 1 1 111 111 ILE CB C 13 41.368 0.3 . 1 . . . . . 109 ILE CB . 27510 1 414 . 1 1 111 111 ILE N N 15 125.704 0.3 . 1 . . . . . 109 ILE N . 27510 1 415 . 1 1 112 112 THR H H 1 8.874 0.025 . 1 . . . . . 110 THR H . 27510 1 416 . 1 1 112 112 THR CA C 13 60.28 0.3 . 1 . . . . . 110 THR CA . 27510 1 417 . 1 1 112 112 THR CB C 13 70.655 0.3 . 1 . . . . . 110 THR CB . 27510 1 418 . 1 1 112 112 THR N N 15 118.904 0.3 . 1 . . . . . 110 THR N . 27510 1 419 . 1 1 113 113 ASN H H 1 9.116 0.025 . 1 . . . . . 111 ASN H . 27510 1 420 . 1 1 113 113 ASN CA C 13 52.561 0.3 . 1 . . . . . 111 ASN CA . 27510 1 421 . 1 1 113 113 ASN CB C 13 43.161 0.3 . 1 . . . . . 111 ASN CB . 27510 1 422 . 1 1 113 113 ASN N N 15 122.776 0.3 . 1 . . . . . 111 ASN N . 27510 1 423 . 1 1 114 114 THR H H 1 9.198 0.025 . 1 . . . . . 112 THR H . 27510 1 424 . 1 1 114 114 THR CA C 13 61.736 0.3 . 1 . . . . . 112 THR CA . 27510 1 425 . 1 1 114 114 THR CB C 13 69.761 0.3 . 1 . . . . . 112 THR CB . 27510 1 426 . 1 1 114 114 THR N N 15 121.323 0.3 . 1 . . . . . 112 THR N . 27510 1 427 . 1 1 115 115 MET H H 1 9.136 0.025 . 1 . . . . . 113 MET H . 27510 1 428 . 1 1 115 115 MET CA C 13 54.363 0.3 . 1 . . . . . 113 MET CA . 27510 1 429 . 1 1 115 115 MET CB C 13 37.215 0.3 . 1 . . . . . 113 MET CB . 27510 1 430 . 1 1 115 115 MET N N 15 125.472 0.3 . 1 . . . . . 113 MET N . 27510 1 431 . 1 1 116 116 THR H H 1 8.553 0.025 . 1 . . . . . 114 THR H . 27510 1 432 . 1 1 116 116 THR CA C 13 61.18 0.3 . 1 . . . . . 114 THR CA . 27510 1 433 . 1 1 116 116 THR CB C 13 70.63 0.3 . 1 . . . . . 114 THR CB . 27510 1 434 . 1 1 116 116 THR N N 15 114.548 0.3 . 1 . . . . . 114 THR N . 27510 1 435 . 1 1 117 117 LEU H H 1 8.818 0.025 . 1 . . . . . 115 LEU H . 27510 1 436 . 1 1 117 117 LEU CA C 13 53.996 0.3 . 1 . . . . . 115 LEU CA . 27510 1 437 . 1 1 117 117 LEU CB C 13 44.501 0.3 . 1 . . . . . 115 LEU CB . 27510 1 438 . 1 1 117 117 LEU N N 15 126.773 0.3 . 1 . . . . . 115 LEU N . 27510 1 439 . 1 1 118 118 GLY H H 1 9.069 0.025 . 1 . . . . . 116 GLY H . 27510 1 440 . 1 1 118 118 GLY CA C 13 47.489 0.3 . 1 . . . . . 116 GLY CA . 27510 1 441 . 1 1 118 118 GLY N N 15 115.264 0.3 . 1 . . . . . 116 GLY N . 27510 1 442 . 1 1 119 119 ASP H H 1 8.606 0.025 . 1 . . . . . 117 ASP H . 27510 1 443 . 1 1 119 119 ASP CA C 13 54.04 0.3 . 1 . . . . . 117 ASP CA . 27510 1 444 . 1 1 119 119 ASP CB C 13 40.699 0.3 . 1 . . . . . 117 ASP CB . 27510 1 445 . 1 1 119 119 ASP N N 15 123.99 0.3 . 1 . . . . . 117 ASP N . 27510 1 446 . 1 1 120 120 ILE H H 1 8.351 0.025 . 1 . . . . . 118 ILE H . 27510 1 447 . 1 1 120 120 ILE CA C 13 61.937 0.3 . 1 . . . . . 118 ILE CA . 27510 1 448 . 1 1 120 120 ILE CB C 13 38.03 0.3 . 1 . . . . . 118 ILE CB . 27510 1 449 . 1 1 120 120 ILE N N 15 120.115 0.3 . 1 . . . . . 118 ILE N . 27510 1 450 . 1 1 121 121 VAL H H 1 8.296 0.025 . 1 . . . . . 119 VAL H . 27510 1 451 . 1 1 121 121 VAL CA C 13 61.356 0.3 . 1 . . . . . 119 VAL CA . 27510 1 452 . 1 1 121 121 VAL CB C 13 32.396 0.3 . 1 . . . . . 119 VAL CB . 27510 1 453 . 1 1 121 121 VAL N N 15 124.949 0.3 . 1 . . . . . 119 VAL N . 27510 1 454 . 1 1 122 122 PHE H H 1 9.209 0.025 . 1 . . . . . 120 PHE H . 27510 1 455 . 1 1 122 122 PHE CA C 13 53.824 0.3 . 1 . . . . . 120 PHE CA . 27510 1 456 . 1 1 122 122 PHE CB C 13 40.787 0.3 . 1 . . . . . 120 PHE CB . 27510 1 457 . 1 1 122 122 PHE N N 15 128.233 0.3 . 1 . . . . . 120 PHE N . 27510 1 458 . 1 1 123 123 LYS H H 1 8.306 0.025 . 1 . . . . . 121 LYS H . 27510 1 459 . 1 1 123 123 LYS CA C 13 54.306 0.3 . 1 . . . . . 121 LYS CA . 27510 1 460 . 1 1 123 123 LYS CB C 13 36.998 0.3 . 1 . . . . . 121 LYS CB . 27510 1 461 . 1 1 123 123 LYS N N 15 127.436 0.3 . 1 . . . . . 121 LYS N . 27510 1 462 . 1 1 124 124 ARG H H 1 8.574 0.025 . 1 . . . . . 122 ARG H . 27510 1 463 . 1 1 124 124 ARG CA C 13 55.208 0.3 . 1 . . . . . 122 ARG CA . 27510 1 464 . 1 1 124 124 ARG CB C 13 30.093 0.3 . 9 . . . . . 122 ARG CB . 27510 1 465 . 1 1 124 124 ARG N N 15 121.448 0.3 . 1 . . . . . 122 ARG N . 27510 1 466 . 1 1 125 125 ILE H H 1 8.687 0.025 . 1 . . . . . 123 ILE H . 27510 1 467 . 1 1 125 125 ILE CA C 13 61.43 0.3 . 1 . . . . . 123 ILE CA . 27510 1 468 . 1 1 125 125 ILE CB C 13 39.968 0.3 . 1 . . . . . 123 ILE CB . 27510 1 469 . 1 1 125 125 ILE N N 15 122.516 0.3 . 1 . . . . . 123 ILE N . 27510 1 470 . 1 1 126 126 SER H H 1 9.112 0.025 . 1 . . . . . 124 SER H . 27510 1 471 . 1 1 126 126 SER CA C 13 58.49 0.3 . 9 . . . . . 124 SER CA . 27510 1 472 . 1 1 126 126 SER CB C 13 63.845 0.3 . 1 . . . . . 124 SER CB . 27510 1 473 . 1 1 126 126 SER N N 15 121.195 0.3 . 1 . . . . . 124 SER N . 27510 1 474 . 1 1 127 127 LYS H H 1 8.48 0.025 . 1 . . . . . 125 LYS H . 27510 1 475 . 1 1 127 127 LYS CA C 13 55.307 0.3 . 1 . . . . . 125 LYS CA . 27510 1 476 . 1 1 127 127 LYS CB C 13 37.163 0.3 . 1 . . . . . 125 LYS CB . 27510 1 477 . 1 1 127 127 LYS N N 15 119.995 0.3 . 1 . . . . . 125 LYS N . 27510 1 478 . 1 1 128 128 ARG H H 1 9.018 0.025 . 1 . . . . . 126 ARG H . 27510 1 479 . 1 1 128 128 ARG CA C 13 57.277 0.3 . 1 . . . . . 126 ARG CA . 27510 1 480 . 1 1 128 128 ARG CB C 13 30.901 0.3 . 1 . . . . . 126 ARG CB . 27510 1 481 . 1 1 128 128 ARG N N 15 126.038 0.3 . 1 . . . . . 126 ARG N . 27510 1 482 . 1 1 129 129 ILE H H 1 8.343 0.025 . 1 . . . . . 127 ILE H . 27510 1 483 . 1 1 129 129 ILE CA C 13 62.907 0.3 . 1 . . . . . 127 ILE CA . 27510 1 484 . 1 1 129 129 ILE CB C 13 39.991 0.3 . 1 . . . . . 127 ILE CB . 27510 1 485 . 1 1 129 129 ILE N N 15 127.428 0.3 . 1 . . . . . 127 ILE N . 27510 1 stop_ save_