################################### # 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 52559 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BcX E78Q W9A' _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 '3D HNCA' . . . 52559 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 $software_1 . . 52559 1 2 $software_2 . . 52559 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 1 1 ALA CA C 13 52.536 0.000 . 1 . . . . . 1 ALA CA . 52559 1 2 . 1 . 1 2 2 SER H H 1 8.664 0.000 . 1 . . . . . 2 SER H . 52559 1 3 . 1 . 1 2 2 SER CA C 13 58.808 0.015 . 1 . . . . . 2 SER CA . 52559 1 4 . 1 . 1 2 2 SER N N 15 117.250 0.002 . 1 . . . . . 2 SER N . 52559 1 5 . 1 . 1 3 3 THR H H 1 7.957 0.000 . 1 . . . . . 3 THR H . 52559 1 6 . 1 . 1 3 3 THR CA C 13 62.289 0.007 . 1 . . . . . 3 THR CA . 52559 1 7 . 1 . 1 3 3 THR N N 15 111.755 0.000 . 1 . . . . . 3 THR N . 52559 1 8 . 1 . 1 4 4 ASP H H 1 7.934 0.000 . 1 . . . . . 4 ASP H . 52559 1 9 . 1 . 1 4 4 ASP CA C 13 53.305 0.005 . 1 . . . . . 4 ASP CA . 52559 1 10 . 1 . 1 4 4 ASP N N 15 119.195 0.001 . 1 . . . . . 4 ASP N . 52559 1 11 . 1 . 1 5 5 TYR H H 1 7.796 0.000 . 1 . . . . . 5 TYR H . 52559 1 12 . 1 . 1 5 5 TYR CA C 13 58.299 0.006 . 1 . . . . . 5 TYR CA . 52559 1 13 . 1 . 1 5 5 TYR N N 15 120.873 0.001 . 1 . . . . . 5 TYR N . 52559 1 14 . 1 . 1 6 6 TRP H H 1 7.293 0.000 . 1 . . . . . 6 TRP H . 52559 1 15 . 1 . 1 6 6 TRP CA C 13 54.151 0.002 . 1 . . . . . 6 TRP CA . 52559 1 16 . 1 . 1 6 6 TRP N N 15 131.941 0.001 . 1 . . . . . 6 TRP N . 52559 1 17 . 1 . 1 7 7 GLN H H 1 7.960 0.000 . 1 . . . . . 7 GLN H . 52559 1 18 . 1 . 1 7 7 GLN CA C 13 52.094 0.042 . 1 . . . . . 7 GLN CA . 52559 1 19 . 1 . 1 7 7 GLN N N 15 127.300 0.002 . 1 . . . . . 7 GLN N . 52559 1 20 . 1 . 1 8 8 ASN H H 1 7.760 0.000 . 1 . . . . . 8 ASN H . 52559 1 21 . 1 . 1 8 8 ASN CA C 13 52.242 0.044 . 1 . . . . . 8 ASN CA . 52559 1 22 . 1 . 1 8 8 ASN N N 15 123.841 0.098 . 1 . . . . . 8 ASN N . 52559 1 23 . 1 . 1 9 9 ALA H H 1 8.407 0.000 . 1 . . . . . 9 ALA H . 52559 1 24 . 1 . 1 9 9 ALA CA C 13 50.617 0.004 . 1 . . . . . 9 ALA CA . 52559 1 25 . 1 . 1 9 9 ALA N N 15 127.954 0.010 . 1 . . . . . 9 ALA N . 52559 1 26 . 1 . 1 10 10 THR H H 1 8.212 0.000 . 1 . . . . . 10 THR H . 52559 1 27 . 1 . 1 10 10 THR CA C 13 58.692 0.005 . 1 . . . . . 10 THR CA . 52559 1 28 . 1 . 1 10 10 THR N N 15 113.704 0.008 . 1 . . . . . 10 THR N . 52559 1 29 . 1 . 1 11 11 ASP H H 1 7.379 0.000 . 1 . . . . . 11 ASP H . 52559 1 30 . 1 . 1 11 11 ASP CA C 13 53.638 0.016 . 1 . . . . . 11 ASP CA . 52559 1 31 . 1 . 1 11 11 ASP N N 15 124.591 0.002 . 1 . . . . . 11 ASP N . 52559 1 32 . 1 . 1 12 12 GLY H H 1 8.623 0.000 . 1 . . . . . 12 GLY H . 52559 1 33 . 1 . 1 12 12 GLY CA C 13 44.812 0.002 . 1 . . . . . 12 GLY CA . 52559 1 34 . 1 . 1 12 12 GLY N N 15 109.127 0.001 . 1 . . . . . 12 GLY N . 52559 1 35 . 1 . 1 13 13 GLY H H 1 8.390 0.001 . 1 . . . . . 13 GLY H . 52559 1 36 . 1 . 1 13 13 GLY CA C 13 45.149 0.001 . 1 . . . . . 13 GLY CA . 52559 1 37 . 1 . 1 13 13 GLY N N 15 109.418 0.034 . 1 . . . . . 13 GLY N . 52559 1 38 . 1 . 1 14 14 GLY H H 1 8.440 0.000 . 1 . . . . . 14 GLY H . 52559 1 39 . 1 . 1 14 14 GLY CA C 13 46.259 0.005 . 1 . . . . . 14 GLY CA . 52559 1 40 . 1 . 1 14 14 GLY N N 15 113.380 0.009 . 1 . . . . . 14 GLY N . 52559 1 41 . 1 . 1 15 15 ILE H H 1 8.145 0.000 . 1 . . . . . 15 ILE H . 52559 1 42 . 1 . 1 15 15 ILE CA C 13 60.055 0.009 . 1 . . . . . 15 ILE CA . 52559 1 43 . 1 . 1 15 15 ILE N N 15 121.263 0.005 . 1 . . . . . 15 ILE N . 52559 1 44 . 1 . 1 16 16 VAL H H 1 8.446 0.000 . 1 . . . . . 16 VAL H . 52559 1 45 . 1 . 1 16 16 VAL CA C 13 62.350 0.004 . 1 . . . . . 16 VAL CA . 52559 1 46 . 1 . 1 16 16 VAL N N 15 127.098 0.001 . 1 . . . . . 16 VAL N . 52559 1 47 . 1 . 1 17 17 ASN H H 1 8.646 0.000 . 1 . . . . . 17 ASN H . 52559 1 48 . 1 . 1 17 17 ASN CA C 13 51.835 0.011 . 1 . . . . . 17 ASN CA . 52559 1 49 . 1 . 1 17 17 ASN N N 15 126.057 0.006 . 1 . . . . . 17 ASN N . 52559 1 50 . 1 . 1 18 18 ALA H H 1 8.760 0.000 . 1 . . . . . 18 ALA H . 52559 1 51 . 1 . 1 18 18 ALA CA C 13 50.575 0.001 . 1 . . . . . 18 ALA CA . 52559 1 52 . 1 . 1 18 18 ALA N N 15 130.080 0.002 . 1 . . . . . 18 ALA N . 52559 1 53 . 1 . 1 19 19 VAL H H 1 9.306 0.000 . 1 . . . . . 19 VAL H . 52559 1 54 . 1 . 1 19 19 VAL CA C 13 62.116 0.002 . 1 . . . . . 19 VAL CA . 52559 1 55 . 1 . 1 19 19 VAL N N 15 124.657 0.005 . 1 . . . . . 19 VAL N . 52559 1 56 . 1 . 1 20 20 ASN H H 1 8.285 0.000 . 1 . . . . . 20 ASN H . 52559 1 57 . 1 . 1 20 20 ASN CA C 13 51.441 0.000 . 1 . . . . . 20 ASN CA . 52559 1 58 . 1 . 1 20 20 ASN N N 15 125.891 0.001 . 1 . . . . . 20 ASN N . 52559 1 59 . 1 . 1 21 21 GLY H H 1 7.106 0.000 . 1 . . . . . 21 GLY H . 52559 1 60 . 1 . 1 21 21 GLY CA C 13 43.939 0.003 . 1 . . . . . 21 GLY CA . 52559 1 61 . 1 . 1 21 21 GLY N N 15 113.022 0.006 . 1 . . . . . 21 GLY N . 52559 1 62 . 1 . 1 22 22 SER H H 1 8.255 0.000 . 1 . . . . . 22 SER H . 52559 1 63 . 1 . 1 22 22 SER CA C 13 58.578 0.013 . 1 . . . . . 22 SER CA . 52559 1 64 . 1 . 1 22 22 SER N N 15 112.853 0.009 . 1 . . . . . 22 SER N . 52559 1 65 . 1 . 1 23 23 GLY H H 1 8.866 0.000 . 1 . . . . . 23 GLY H . 52559 1 66 . 1 . 1 23 23 GLY CA C 13 47.299 0.000 . 1 . . . . . 23 GLY CA . 52559 1 67 . 1 . 1 23 23 GLY N N 15 113.761 0.002 . 1 . . . . . 23 GLY N . 52559 1 68 . 1 . 1 24 24 GLY H H 1 9.185 0.000 . 1 . . . . . 24 GLY H . 52559 1 69 . 1 . 1 24 24 GLY CA C 13 45.841 0.004 . 1 . . . . . 24 GLY CA . 52559 1 70 . 1 . 1 24 24 GLY N N 15 116.032 0.003 . 1 . . . . . 24 GLY N . 52559 1 71 . 1 . 1 25 25 ASN H H 1 8.066 0.000 . 1 . . . . . 25 ASN H . 52559 1 72 . 1 . 1 25 25 ASN CA C 13 54.196 0.008 . 1 . . . . . 25 ASN CA . 52559 1 73 . 1 . 1 25 25 ASN N N 15 118.852 0.029 . 1 . . . . . 25 ASN N . 52559 1 74 . 1 . 1 26 26 TYR H H 1 9.631 0.000 . 1 . . . . . 26 TYR H . 52559 1 75 . 1 . 1 26 26 TYR CA C 13 57.383 0.002 . 1 . . . . . 26 TYR CA . 52559 1 76 . 1 . 1 26 26 TYR N N 15 124.861 0.002 . 1 . . . . . 26 TYR N . 52559 1 77 . 1 . 1 27 27 SER H H 1 8.635 0.000 . 1 . . . . . 27 SER H . 52559 1 78 . 1 . 1 27 27 SER CA C 13 56.413 0.001 . 1 . . . . . 27 SER CA . 52559 1 79 . 1 . 1 27 27 SER N N 15 111.390 0.007 . 1 . . . . . 27 SER N . 52559 1 80 . 1 . 1 28 28 VAL H H 1 9.086 0.000 . 1 . . . . . 28 VAL H . 52559 1 81 . 1 . 1 28 28 VAL CA C 13 60.929 0.007 . 1 . . . . . 28 VAL CA . 52559 1 82 . 1 . 1 28 28 VAL N N 15 118.556 0.005 . 1 . . . . . 28 VAL N . 52559 1 83 . 1 . 1 29 29 ASN H H 1 8.330 0.000 . 1 . . . . . 29 ASN H . 52559 1 84 . 1 . 1 29 29 ASN CA C 13 52.988 0.013 . 1 . . . . . 29 ASN CA . 52559 1 85 . 1 . 1 29 29 ASN N N 15 126.167 0.002 . 1 . . . . . 29 ASN N . 52559 1 86 . 1 . 1 30 30 TRP H H 1 9.311 0.000 . 1 . . . . . 30 TRP H . 52559 1 87 . 1 . 1 30 30 TRP CA C 13 55.372 0.001 . 1 . . . . . 30 TRP CA . 52559 1 88 . 1 . 1 30 30 TRP N N 15 125.309 0.011 . 1 . . . . . 30 TRP N . 52559 1 89 . 1 . 1 31 31 SER H H 1 9.172 0.000 . 1 . . . . . 31 SER H . 52559 1 90 . 1 . 1 31 31 SER CA C 13 57.278 0.000 . 1 . . . . . 31 SER CA . 52559 1 91 . 1 . 1 31 31 SER N N 15 116.335 0.002 . 1 . . . . . 31 SER N . 52559 1 92 . 1 . 1 33 33 THR H H 1 8.154 0.003 . 1 . . . . . 33 THR H . 52559 1 93 . 1 . 1 33 33 THR CA C 13 63.049 0.001 . 1 . . . . . 33 THR CA . 52559 1 94 . 1 . 1 33 33 THR N N 15 106.315 0.007 . 1 . . . . . 33 THR N . 52559 1 95 . 1 . 1 34 34 GLY H H 1 7.618 0.000 . 1 . . . . . 34 GLY H . 52559 1 96 . 1 . 1 34 34 GLY CA C 13 46.288 0.004 . 1 . . . . . 34 GLY CA . 52559 1 97 . 1 . 1 34 34 GLY N N 15 106.083 0.008 . 1 . . . . . 34 GLY N . 52559 1 98 . 1 . 1 35 35 ASN H H 1 9.621 0.000 . 1 . . . . . 35 ASN H . 52559 1 99 . 1 . 1 35 35 ASN CA C 13 52.521 0.005 . 1 . . . . . 35 ASN CA . 52559 1 100 . 1 . 1 35 35 ASN N N 15 129.842 0.000 . 1 . . . . . 35 ASN N . 52559 1 101 . 1 . 1 36 36 PHE H H 1 7.729 0.000 . 1 . . . . . 36 PHE H . 52559 1 102 . 1 . 1 36 36 PHE CA C 13 56.447 0.000 . 1 . . . . . 36 PHE CA . 52559 1 103 . 1 . 1 36 36 PHE N N 15 118.784 0.000 . 1 . . . . . 36 PHE N . 52559 1 104 . 1 . 1 37 37 VAL H H 1 8.453 0.001 . 1 . . . . . 37 VAL H . 52559 1 105 . 1 . 1 37 37 VAL CA C 13 61.836 0.009 . 1 . . . . . 37 VAL CA . 52559 1 106 . 1 . 1 37 37 VAL N N 15 118.851 0.001 . 1 . . . . . 37 VAL N . 52559 1 107 . 1 . 1 38 38 VAL H H 1 8.336 0.000 . 1 . . . . . 38 VAL H . 52559 1 108 . 1 . 1 38 38 VAL CA C 13 58.277 0.003 . 1 . . . . . 38 VAL CA . 52559 1 109 . 1 . 1 38 38 VAL N N 15 126.460 0.004 . 1 . . . . . 38 VAL N . 52559 1 110 . 1 . 1 39 39 GLY H H 1 8.170 0.001 . 1 . . . . . 39 GLY H . 52559 1 111 . 1 . 1 39 39 GLY CA C 13 45.472 0.002 . 1 . . . . . 39 GLY CA . 52559 1 112 . 1 . 1 39 39 GLY N N 15 108.443 0.002 . 1 . . . . . 39 GLY N . 52559 1 113 . 1 . 1 40 40 LYS H H 1 6.313 0.000 . 1 . . . . . 40 LYS H . 52559 1 114 . 1 . 1 40 40 LYS CA C 13 54.526 0.002 . 1 . . . . . 40 LYS CA . 52559 1 115 . 1 . 1 40 40 LYS N N 15 115.286 0.010 . 1 . . . . . 40 LYS N . 52559 1 116 . 1 . 1 41 41 GLY H H 1 7.874 0.000 . 1 . . . . . 41 GLY H . 52559 1 117 . 1 . 1 41 41 GLY CA C 13 47.162 0.002 . 1 . . . . . 41 GLY CA . 52559 1 118 . 1 . 1 41 41 GLY N N 15 108.155 0.000 . 1 . . . . . 41 GLY N . 52559 1 119 . 1 . 1 42 42 TRP H H 1 9.526 0.000 . 1 . . . . . 42 TRP H . 52559 1 120 . 1 . 1 42 42 TRP CA C 13 59.552 0.009 . 1 . . . . . 42 TRP CA . 52559 1 121 . 1 . 1 42 42 TRP N N 15 129.792 0.011 . 1 . . . . . 42 TRP N . 52559 1 122 . 1 . 1 43 43 THR H H 1 10.144 0.000 . 1 . . . . . 43 THR H . 52559 1 123 . 1 . 1 43 43 THR CA C 13 66.397 0.005 . 1 . . . . . 43 THR CA . 52559 1 124 . 1 . 1 43 43 THR N N 15 123.910 0.005 . 1 . . . . . 43 THR N . 52559 1 125 . 1 . 1 44 44 THR H H 1 8.000 0.000 . 1 . . . . . 44 THR H . 52559 1 126 . 1 . 1 44 44 THR CA C 13 60.915 0.012 . 1 . . . . . 44 THR CA . 52559 1 127 . 1 . 1 44 44 THR N N 15 114.620 0.011 . 1 . . . . . 44 THR N . 52559 1 128 . 1 . 1 45 45 GLY H H 1 8.924 0.000 . 1 . . . . . 45 GLY H . 52559 1 129 . 1 . 1 45 45 GLY CA C 13 45.578 0.001 . 1 . . . . . 45 GLY CA . 52559 1 130 . 1 . 1 45 45 GLY N N 15 113.374 0.009 . 1 . . . . . 45 GLY N . 52559 1 131 . 1 . 1 46 46 SER H H 1 6.731 0.000 . 1 . . . . . 46 SER H . 52559 1 132 . 1 . 1 46 46 SER CA C 13 52.130 0.000 . 1 . . . . . 46 SER CA . 52559 1 133 . 1 . 1 46 46 SER N N 15 109.363 0.005 . 1 . . . . . 46 SER N . 52559 1 134 . 1 . 1 47 47 PRO CA C 13 62.736 0.000 . 1 . . . . . 47 PRO CA . 52559 1 135 . 1 . 1 48 48 PHE H H 1 7.142 0.000 . 1 . . . . . 48 PHE H . 52559 1 136 . 1 . 1 48 48 PHE CA C 13 55.368 0.009 . 1 . . . . . 48 PHE CA . 52559 1 137 . 1 . 1 48 48 PHE N N 15 114.156 0.008 . 1 . . . . . 48 PHE N . 52559 1 138 . 1 . 1 49 49 ARG H H 1 6.431 0.000 . 1 . . . . . 49 ARG H . 52559 1 139 . 1 . 1 49 49 ARG CA C 13 56.630 0.006 . 1 . . . . . 49 ARG CA . 52559 1 140 . 1 . 1 49 49 ARG N N 15 121.376 0.006 . 1 . . . . . 49 ARG N . 52559 1 141 . 1 . 1 50 50 THR H H 1 8.510 0.001 . 1 . . . . . 50 THR H . 52559 1 142 . 1 . 1 50 50 THR CA C 13 62.524 0.006 . 1 . . . . . 50 THR CA . 52559 1 143 . 1 . 1 50 50 THR N N 15 124.051 0.017 . 1 . . . . . 50 THR N . 52559 1 144 . 1 . 1 51 51 ILE H H 1 8.631 0.001 . 1 . . . . . 51 ILE H . 52559 1 145 . 1 . 1 51 51 ILE CA C 13 62.874 0.004 . 1 . . . . . 51 ILE CA . 52559 1 146 . 1 . 1 51 51 ILE N N 15 128.890 0.008 . 1 . . . . . 51 ILE N . 52559 1 147 . 1 . 1 52 52 ASN H H 1 8.525 0.000 . 1 . . . . . 52 ASN H . 52559 1 148 . 1 . 1 52 52 ASN CA C 13 50.892 0.003 . 1 . . . . . 52 ASN CA . 52559 1 149 . 1 . 1 52 52 ASN N N 15 125.941 0.002 . 1 . . . . . 52 ASN N . 52559 1 150 . 1 . 1 53 53 TYR H H 1 8.520 0.000 . 1 . . . . . 53 TYR H . 52559 1 151 . 1 . 1 53 53 TYR CA C 13 56.683 0.003 . 1 . . . . . 53 TYR CA . 52559 1 152 . 1 . 1 53 53 TYR N N 15 115.410 0.002 . 1 . . . . . 53 TYR N . 52559 1 153 . 1 . 1 54 54 ASN H H 1 8.830 0.000 . 1 . . . . . 54 ASN H . 52559 1 154 . 1 . 1 54 54 ASN CA C 13 52.870 0.005 . 1 . . . . . 54 ASN CA . 52559 1 155 . 1 . 1 54 54 ASN N N 15 116.531 0.012 . 1 . . . . . 54 ASN N . 52559 1 156 . 1 . 1 55 55 ALA H H 1 9.567 0.000 . 1 . . . . . 55 ALA H . 52559 1 157 . 1 . 1 55 55 ALA CA C 13 49.986 0.004 . 1 . . . . . 55 ALA CA . 52559 1 158 . 1 . 1 55 55 ALA N N 15 132.332 0.008 . 1 . . . . . 55 ALA N . 52559 1 159 . 1 . 1 56 56 GLY H H 1 8.207 0.000 . 1 . . . . . 56 GLY H . 52559 1 160 . 1 . 1 56 56 GLY CA C 13 46.802 0.003 . 1 . . . . . 56 GLY CA . 52559 1 161 . 1 . 1 56 56 GLY N N 15 116.262 0.001 . 1 . . . . . 56 GLY N . 52559 1 162 . 1 . 1 57 57 VAL H H 1 8.132 0.001 . 1 . . . . . 57 VAL H . 52559 1 163 . 1 . 1 57 57 VAL CA C 13 62.412 0.010 . 1 . . . . . 57 VAL CA . 52559 1 164 . 1 . 1 57 57 VAL N N 15 117.424 0.015 . 1 . . . . . 57 VAL N . 52559 1 165 . 1 . 1 58 58 TRP H H 1 8.968 0.000 . 1 . . . . . 58 TRP H . 52559 1 166 . 1 . 1 58 58 TRP CA C 13 56.104 0.001 . 1 . . . . . 58 TRP CA . 52559 1 167 . 1 . 1 58 58 TRP N N 15 127.611 0.008 . 1 . . . . . 58 TRP N . 52559 1 168 . 1 . 1 59 59 ALA H H 1 7.945 0.000 . 1 . . . . . 59 ALA H . 52559 1 169 . 1 . 1 59 59 ALA CA C 13 49.507 0.000 . 1 . . . . . 59 ALA CA . 52559 1 170 . 1 . 1 59 59 ALA N N 15 127.963 0.003 . 1 . . . . . 59 ALA N . 52559 1 171 . 1 . 1 60 60 PRO CA C 13 63.625 0.000 . 1 . . . . . 60 PRO CA . 52559 1 172 . 1 . 1 61 61 ASN H H 1 9.243 0.001 . 1 . . . . . 61 ASN H . 52559 1 173 . 1 . 1 61 61 ASN CA C 13 51.607 0.017 . 1 . . . . . 61 ASN CA . 52559 1 174 . 1 . 1 61 61 ASN N N 15 125.000 0.017 . 1 . . . . . 61 ASN N . 52559 1 175 . 1 . 1 62 62 GLY H H 1 8.121 0.001 . 1 . . . . . 62 GLY H . 52559 1 176 . 1 . 1 62 62 GLY CA C 13 44.141 0.003 . 1 . . . . . 62 GLY CA . 52559 1 177 . 1 . 1 62 62 GLY N N 15 109.485 0.010 . 1 . . . . . 62 GLY N . 52559 1 178 . 1 . 1 63 63 ASN H H 1 8.826 0.000 . 1 . . . . . 63 ASN H . 52559 1 179 . 1 . 1 63 63 ASN CA C 13 53.632 0.005 . 1 . . . . . 63 ASN CA . 52559 1 180 . 1 . 1 63 63 ASN N N 15 122.967 0.013 . 1 . . . . . 63 ASN N . 52559 1 181 . 1 . 1 64 64 GLY H H 1 7.917 0.000 . 1 . . . . . 64 GLY H . 52559 1 182 . 1 . 1 64 64 GLY CA C 13 45.898 0.000 . 1 . . . . . 64 GLY CA . 52559 1 183 . 1 . 1 64 64 GLY N N 15 117.303 0.004 . 1 . . . . . 64 GLY N . 52559 1 184 . 1 . 1 65 65 TYR H H 1 9.786 0.000 . 1 . . . . . 65 TYR H . 52559 1 185 . 1 . 1 65 65 TYR CA C 13 53.867 0.015 . 1 . . . . . 65 TYR CA . 52559 1 186 . 1 . 1 65 65 TYR N N 15 118.607 0.014 . 1 . . . . . 65 TYR N . 52559 1 187 . 1 . 1 66 66 LEU H H 1 7.898 0.001 . 1 . . . . . 66 LEU H . 52559 1 188 . 1 . 1 66 66 LEU CA C 13 53.836 0.022 . 1 . . . . . 66 LEU CA . 52559 1 189 . 1 . 1 66 66 LEU N N 15 126.277 0.052 . 1 . . . . . 66 LEU N . 52559 1 190 . 1 . 1 67 67 THR H H 1 8.894 0.000 . 1 . . . . . 67 THR H . 52559 1 191 . 1 . 1 67 67 THR CA C 13 57.908 0.008 . 1 . . . . . 67 THR CA . 52559 1 192 . 1 . 1 67 67 THR N N 15 120.685 0.002 . 1 . . . . . 67 THR N . 52559 1 193 . 1 . 1 68 68 LEU H H 1 9.238 0.000 . 1 . . . . . 68 LEU H . 52559 1 194 . 1 . 1 68 68 LEU CA C 13 55.965 0.006 . 1 . . . . . 68 LEU CA . 52559 1 195 . 1 . 1 68 68 LEU N N 15 133.300 0.005 . 1 . . . . . 68 LEU N . 52559 1 196 . 1 . 1 69 69 TYR H H 1 9.366 0.001 . 1 . . . . . 69 TYR H . 52559 1 197 . 1 . 1 69 69 TYR CA C 13 56.694 0.001 . 1 . . . . . 69 TYR CA . 52559 1 198 . 1 . 1 69 69 TYR N N 15 133.796 0.005 . 1 . . . . . 69 TYR N . 52559 1 199 . 1 . 1 70 70 GLY H H 1 6.486 0.000 . 1 . . . . . 70 GLY H . 52559 1 200 . 1 . 1 70 70 GLY CA C 13 45.537 0.001 . 1 . . . . . 70 GLY CA . 52559 1 201 . 1 . 1 70 70 GLY N N 15 113.356 0.003 . 1 . . . . . 70 GLY N . 52559 1 202 . 1 . 1 71 71 TRP H H 1 6.264 0.000 . 1 . . . . . 71 TRP H . 52559 1 203 . 1 . 1 71 71 TRP CA C 13 54.992 0.002 . 1 . . . . . 71 TRP CA . 52559 1 204 . 1 . 1 71 71 TRP N N 15 111.398 0.007 . 1 . . . . . 71 TRP N . 52559 1 205 . 1 . 1 72 72 THR H H 1 9.156 0.000 . 1 . . . . . 72 THR H . 52559 1 206 . 1 . 1 72 72 THR CA C 13 60.714 0.004 . 1 . . . . . 72 THR CA . 52559 1 207 . 1 . 1 72 72 THR N N 15 113.179 0.002 . 1 . . . . . 72 THR N . 52559 1 208 . 1 . 1 73 73 ARG H H 1 8.850 0.001 . 1 . . . . . 73 ARG H . 52559 1 209 . 1 . 1 73 73 ARG CA C 13 55.261 0.003 . 1 . . . . . 73 ARG CA . 52559 1 210 . 1 . 1 73 73 ARG N N 15 116.696 0.007 . 1 . . . . . 73 ARG N . 52559 1 211 . 1 . 1 74 74 SER H H 1 8.573 0.000 . 1 . . . . . 74 SER H . 52559 1 212 . 1 . 1 74 74 SER CA C 13 57.584 0.000 . 1 . . . . . 74 SER CA . 52559 1 213 . 1 . 1 74 74 SER N N 15 110.347 0.001 . 1 . . . . . 74 SER N . 52559 1 214 . 1 . 1 75 75 PRO CA C 13 62.917 0.000 . 1 . . . . . 75 PRO CA . 52559 1 215 . 1 . 1 76 76 LEU H H 1 7.715 0.000 . 1 . . . . . 76 LEU H . 52559 1 216 . 1 . 1 76 76 LEU CA C 13 54.815 0.011 . 1 . . . . . 76 LEU CA . 52559 1 217 . 1 . 1 76 76 LEU N N 15 118.864 0.001 . 1 . . . . . 76 LEU N . 52559 1 218 . 1 . 1 77 77 ILE H H 1 8.074 0.001 . 1 . . . . . 77 ILE H . 52559 1 219 . 1 . 1 77 77 ILE CA C 13 58.992 0.003 . 1 . . . . . 77 ILE CA . 52559 1 220 . 1 . 1 77 77 ILE N N 15 130.282 0.007 . 1 . . . . . 77 ILE N . 52559 1 221 . 1 . 1 78 78 GLN H H 1 7.563 0.000 . 1 . . . . . 78 GLN H . 52559 1 222 . 1 . 1 78 78 GLN CA C 13 52.204 0.005 . 1 . . . . . 78 GLN CA . 52559 1 223 . 1 . 1 78 78 GLN N N 15 126.632 0.005 . 1 . . . . . 78 GLN N . 52559 1 224 . 1 . 1 79 79 TYR H H 1 7.468 0.000 . 1 . . . . . 79 TYR H . 52559 1 225 . 1 . 1 79 79 TYR CA C 13 54.047 0.001 . 1 . . . . . 79 TYR CA . 52559 1 226 . 1 . 1 79 79 TYR N N 15 121.671 0.008 . 1 . . . . . 79 TYR N . 52559 1 227 . 1 . 1 80 80 TYR H H 1 8.176 0.000 . 1 . . . . . 80 TYR H . 52559 1 228 . 1 . 1 80 80 TYR CA C 13 56.710 0.003 . 1 . . . . . 80 TYR CA . 52559 1 229 . 1 . 1 80 80 TYR N N 15 116.687 0.007 . 1 . . . . . 80 TYR N . 52559 1 230 . 1 . 1 81 81 VAL H H 1 7.606 0.001 . 1 . . . . . 81 VAL H . 52559 1 231 . 1 . 1 81 81 VAL CA C 13 62.720 0.002 . 1 . . . . . 81 VAL CA . 52559 1 232 . 1 . 1 81 81 VAL N N 15 118.019 0.003 . 1 . . . . . 81 VAL N . 52559 1 233 . 1 . 1 82 82 VAL H H 1 9.514 0.001 . 1 . . . . . 82 VAL H . 52559 1 234 . 1 . 1 82 82 VAL CA C 13 62.905 0.007 . 1 . . . . . 82 VAL CA . 52559 1 235 . 1 . 1 82 82 VAL N N 15 126.404 0.047 . 1 . . . . . 82 VAL N . 52559 1 236 . 1 . 1 83 83 ASP H H 1 8.315 0.000 . 1 . . . . . 83 ASP H . 52559 1 237 . 1 . 1 83 83 ASP CA C 13 54.646 0.008 . 1 . . . . . 83 ASP CA . 52559 1 238 . 1 . 1 83 83 ASP N N 15 128.231 0.007 . 1 . . . . . 83 ASP N . 52559 1 239 . 1 . 1 84 84 SER H H 1 8.143 0.000 . 1 . . . . . 84 SER H . 52559 1 240 . 1 . 1 84 84 SER CA C 13 57.394 0.012 . 1 . . . . . 84 SER CA . 52559 1 241 . 1 . 1 84 84 SER N N 15 108.602 0.029 . 1 . . . . . 84 SER N . 52559 1 242 . 1 . 1 85 85 TRP H H 1 7.666 0.000 . 1 . . . . . 85 TRP H . 52559 1 243 . 1 . 1 85 85 TRP CA C 13 57.324 0.002 . 1 . . . . . 85 TRP CA . 52559 1 244 . 1 . 1 85 85 TRP N N 15 119.232 0.047 . 1 . . . . . 85 TRP N . 52559 1 245 . 1 . 1 86 86 GLY H H 1 9.233 0.000 . 1 . . . . . 86 GLY H . 52559 1 246 . 1 . 1 86 86 GLY CA C 13 44.749 0.010 . 1 . . . . . 86 GLY CA . 52559 1 247 . 1 . 1 86 86 GLY N N 15 110.765 0.000 . 1 . . . . . 86 GLY N . 52559 1 248 . 1 . 1 87 87 THR H H 1 7.956 0.000 . 1 . . . . . 87 THR H . 52559 1 249 . 1 . 1 87 87 THR CA C 13 63.357 0.010 . 1 . . . . . 87 THR CA . 52559 1 250 . 1 . 1 87 87 THR N N 15 117.506 0.003 . 1 . . . . . 87 THR N . 52559 1 251 . 1 . 1 88 88 TYR H H 1 8.085 0.000 . 1 . . . . . 88 TYR H . 52559 1 252 . 1 . 1 88 88 TYR CA C 13 56.486 0.001 . 1 . . . . . 88 TYR CA . 52559 1 253 . 1 . 1 88 88 TYR N N 15 121.957 0.014 . 1 . . . . . 88 TYR N . 52559 1 254 . 1 . 1 89 89 ARG H H 1 8.059 0.000 . 1 . . . . . 89 ARG H . 52559 1 255 . 1 . 1 89 89 ARG CA C 13 51.583 0.000 . 1 . . . . . 89 ARG CA . 52559 1 256 . 1 . 1 89 89 ARG N N 15 132.369 0.000 . 1 . . . . . 89 ARG N . 52559 1 257 . 1 . 1 90 90 PRO CA C 13 62.625 0.000 . 1 . . . . . 90 PRO CA . 52559 1 258 . 1 . 1 91 91 THR H H 1 5.872 0.000 . 1 . . . . . 91 THR H . 52559 1 259 . 1 . 1 91 91 THR CA C 13 58.625 0.000 . 1 . . . . . 91 THR CA . 52559 1 260 . 1 . 1 91 91 THR N N 15 105.306 0.003 . 1 . . . . . 91 THR N . 52559 1 261 . 1 . 1 92 92 GLY CA C 13 45.811 0.000 . 1 . . . . . 92 GLY CA . 52559 1 262 . 1 . 1 93 93 THR H H 1 9.007 0.000 . 1 . . . . . 93 THR H . 52559 1 263 . 1 . 1 93 93 THR CA C 13 64.106 0.004 . 1 . . . . . 93 THR CA . 52559 1 264 . 1 . 1 93 93 THR N N 15 124.512 0.003 . 1 . . . . . 93 THR N . 52559 1 265 . 1 . 1 94 94 TYR H H 1 9.046 0.001 . 1 . . . . . 94 TYR H . 52559 1 266 . 1 . 1 94 94 TYR CA C 13 59.813 0.003 . 1 . . . . . 94 TYR CA . 52559 1 267 . 1 . 1 94 94 TYR N N 15 130.311 0.005 . 1 . . . . . 94 TYR N . 52559 1 268 . 1 . 1 95 95 LYS H H 1 8.363 0.000 . 1 . . . . . 95 LYS H . 52559 1 269 . 1 . 1 95 95 LYS CA C 13 53.414 0.000 . 1 . . . . . 95 LYS CA . 52559 1 270 . 1 . 1 95 95 LYS N N 15 124.100 0.000 . 1 . . . . . 95 LYS N . 52559 1 271 . 1 . 1 96 96 GLY H H 1 5.508 0.000 . 1 . . . . . 96 GLY H . 52559 1 272 . 1 . 1 96 96 GLY CA C 13 44.449 0.003 . 1 . . . . . 96 GLY CA . 52559 1 273 . 1 . 1 96 96 GLY N N 15 102.715 0.000 . 1 . . . . . 96 GLY N . 52559 1 274 . 1 . 1 97 97 THR H H 1 8.079 0.000 . 1 . . . . . 97 THR H . 52559 1 275 . 1 . 1 97 97 THR CA C 13 59.803 0.003 . 1 . . . . . 97 THR CA . 52559 1 276 . 1 . 1 97 97 THR N N 15 108.805 0.007 . 1 . . . . . 97 THR N . 52559 1 277 . 1 . 1 98 98 VAL H H 1 9.165 0.001 . 1 . . . . . 98 VAL H . 52559 1 278 . 1 . 1 98 98 VAL CA C 13 59.695 0.028 . 1 . . . . . 98 VAL CA . 52559 1 279 . 1 . 1 98 98 VAL N N 15 119.273 0.149 . 1 . . . . . 98 VAL N . 52559 1 280 . 1 . 1 99 99 LYS H H 1 8.465 0.000 . 1 . . . . . 99 LYS H . 52559 1 281 . 1 . 1 99 99 LYS CA C 13 54.817 0.011 . 1 . . . . . 99 LYS CA . 52559 1 282 . 1 . 1 99 99 LYS N N 15 128.704 0.013 . 1 . . . . . 99 LYS N . 52559 1 283 . 1 . 1 100 100 SER H H 1 8.677 0.000 . 1 . . . . . 100 SER H . 52559 1 284 . 1 . 1 100 100 SER CA C 13 59.197 0.006 . 1 . . . . . 100 SER CA . 52559 1 285 . 1 . 1 100 100 SER N N 15 116.583 0.002 . 1 . . . . . 100 SER N . 52559 1 286 . 1 . 1 101 101 ASP H H 1 9.605 0.000 . 1 . . . . . 101 ASP H . 52559 1 287 . 1 . 1 101 101 ASP CA C 13 55.698 0.001 . 1 . . . . . 101 ASP CA . 52559 1 288 . 1 . 1 101 101 ASP N N 15 123.969 0.001 . 1 . . . . . 101 ASP N . 52559 1 289 . 1 . 1 102 102 GLY H H 1 8.778 0.000 . 1 . . . . . 102 GLY H . 52559 1 290 . 1 . 1 102 102 GLY CA C 13 45.859 0.004 . 1 . . . . . 102 GLY CA . 52559 1 291 . 1 . 1 102 102 GLY N N 15 105.523 0.004 . 1 . . . . . 102 GLY N . 52559 1 292 . 1 . 1 103 103 GLY H H 1 8.115 0.000 . 1 . . . . . 103 GLY H . 52559 1 293 . 1 . 1 103 103 GLY CA C 13 43.049 0.002 . 1 . . . . . 103 GLY CA . 52559 1 294 . 1 . 1 103 103 GLY N N 15 108.830 0.017 . 1 . . . . . 103 GLY N . 52559 1 295 . 1 . 1 104 104 THR H H 1 8.167 0.000 . 1 . . . . . 104 THR H . 52559 1 296 . 1 . 1 104 104 THR CA C 13 62.600 0.006 . 1 . . . . . 104 THR CA . 52559 1 297 . 1 . 1 104 104 THR N N 15 116.366 0.002 . 1 . . . . . 104 THR N . 52559 1 298 . 1 . 1 105 105 TYR H H 1 9.706 0.000 . 1 . . . . . 105 TYR H . 52559 1 299 . 1 . 1 105 105 TYR CA C 13 55.877 0.001 . 1 . . . . . 105 TYR CA . 52559 1 300 . 1 . 1 105 105 TYR N N 15 125.753 0.007 . 1 . . . . . 105 TYR N . 52559 1 301 . 1 . 1 106 106 ASP H H 1 8.683 0.008 . 1 . . . . . 106 ASP H . 52559 1 302 . 1 . 1 106 106 ASP CA C 13 54.434 0.030 . 1 . . . . . 106 ASP CA . 52559 1 303 . 1 . 1 106 106 ASP N N 15 121.734 0.047 . 1 . . . . . 106 ASP N . 52559 1 304 . 1 . 1 107 107 ILE H H 1 8.352 0.000 . 1 . . . . . 107 ILE H . 52559 1 305 . 1 . 1 107 107 ILE CA C 13 59.250 0.001 . 1 . . . . . 107 ILE CA . 52559 1 306 . 1 . 1 107 107 ILE N N 15 121.348 0.002 . 1 . . . . . 107 ILE N . 52559 1 307 . 1 . 1 108 108 TYR H H 1 9.052 0.000 . 1 . . . . . 108 TYR H . 52559 1 308 . 1 . 1 108 108 TYR CA C 13 54.533 0.006 . 1 . . . . . 108 TYR CA . 52559 1 309 . 1 . 1 108 108 TYR N N 15 122.666 0.004 . 1 . . . . . 108 TYR N . 52559 1 310 . 1 . 1 109 109 THR H H 1 8.252 0.000 . 1 . . . . . 109 THR H . 52559 1 311 . 1 . 1 109 109 THR CA C 13 59.876 0.012 . 1 . . . . . 109 THR CA . 52559 1 312 . 1 . 1 109 109 THR N N 15 108.228 0.001 . 1 . . . . . 109 THR N . 52559 1 313 . 1 . 1 110 110 THR H H 1 8.779 0.000 . 1 . . . . . 110 THR H . 52559 1 314 . 1 . 1 110 110 THR CA C 13 61.338 0.000 . 1 . . . . . 110 THR CA . 52559 1 315 . 1 . 1 110 110 THR N N 15 113.642 0.002 . 1 . . . . . 110 THR N . 52559 1 316 . 1 . 1 111 111 THR H H 1 8.439 0.000 . 1 . . . . . 111 THR H . 52559 1 317 . 1 . 1 111 111 THR CA C 13 62.223 0.000 . 1 . . . . . 111 THR CA . 52559 1 318 . 1 . 1 111 111 THR N N 15 116.281 0.000 . 1 . . . . . 111 THR N . 52559 1 319 . 1 . 1 112 112 ARG H H 1 8.180 0.000 . 1 . . . . . 112 ARG H . 52559 1 320 . 1 . 1 112 112 ARG CA C 13 53.267 0.002 . 1 . . . . . 112 ARG CA . 52559 1 321 . 1 . 1 112 112 ARG N N 15 124.709 0.007 . 1 . . . . . 112 ARG N . 52559 1 322 . 1 . 1 113 113 TYR H H 1 8.143 0.000 . 1 . . . . . 113 TYR H . 52559 1 323 . 1 . 1 113 113 TYR CA C 13 56.381 0.004 . 1 . . . . . 113 TYR CA . 52559 1 324 . 1 . 1 113 113 TYR N N 15 118.691 0.005 . 1 . . . . . 113 TYR N . 52559 1 325 . 1 . 1 114 114 ASN H H 1 7.887 0.000 . 1 . . . . . 114 ASN H . 52559 1 326 . 1 . 1 114 114 ASN CA C 13 53.953 0.005 . 1 . . . . . 114 ASN CA . 52559 1 327 . 1 . 1 114 114 ASN N N 15 120.696 0.005 . 1 . . . . . 114 ASN N . 52559 1 328 . 1 . 1 115 115 ALA H H 1 9.392 0.000 . 1 . . . . . 115 ALA H . 52559 1 329 . 1 . 1 115 115 ALA CA C 13 49.881 0.000 . 1 . . . . . 115 ALA CA . 52559 1 330 . 1 . 1 115 115 ALA N N 15 122.273 0.007 . 1 . . . . . 115 ALA N . 52559 1 331 . 1 . 1 116 116 PRO CA C 13 62.840 0.000 . 1 . . . . . 116 PRO CA . 52559 1 332 . 1 . 1 117 117 SER H H 1 8.785 0.000 . 1 . . . . . 117 SER H . 52559 1 333 . 1 . 1 117 117 SER CA C 13 56.423 0.000 . 1 . . . . . 117 SER CA . 52559 1 334 . 1 . 1 117 117 SER N N 15 115.144 0.000 . 1 . . . . . 117 SER N . 52559 1 335 . 1 . 1 118 118 ILE CA C 13 62.637 0.000 . 1 . . . . . 118 ILE CA . 52559 1 336 . 1 . 1 119 119 ASP H H 1 7.253 0.000 . 1 . . . . . 119 ASP H . 52559 1 337 . 1 . 1 119 119 ASP CA C 13 53.858 0.009 . 1 . . . . . 119 ASP CA . 52559 1 338 . 1 . 1 119 119 ASP N N 15 119.556 0.001 . 1 . . . . . 119 ASP N . 52559 1 339 . 1 . 1 120 120 GLY H H 1 7.077 0.000 . 1 . . . . . 120 GLY H . 52559 1 340 . 1 . 1 120 120 GLY CA C 13 44.779 0.004 . 1 . . . . . 120 GLY CA . 52559 1 341 . 1 . 1 120 120 GLY N N 15 108.347 0.008 . 1 . . . . . 120 GLY N . 52559 1 342 . 1 . 1 121 121 ASP H H 1 8.144 0.000 . 1 . . . . . 121 ASP H . 52559 1 343 . 1 . 1 121 121 ASP CA C 13 55.536 0.001 . 1 . . . . . 121 ASP CA . 52559 1 344 . 1 . 1 121 121 ASP N N 15 117.611 0.007 . 1 . . . . . 121 ASP N . 52559 1 345 . 1 . 1 122 122 ARG H H 1 8.191 0.000 . 1 . . . . . 122 ARG H . 52559 1 346 . 1 . 1 122 122 ARG CA C 13 55.040 0.003 . 1 . . . . . 122 ARG CA . 52559 1 347 . 1 . 1 122 122 ARG N N 15 120.280 0.005 . 1 . . . . . 122 ARG N . 52559 1 348 . 1 . 1 123 123 THR H H 1 8.952 0.000 . 1 . . . . . 123 THR H . 52559 1 349 . 1 . 1 123 123 THR CA C 13 60.239 0.001 . 1 . . . . . 123 THR CA . 52559 1 350 . 1 . 1 123 123 THR N N 15 115.897 0.009 . 1 . . . . . 123 THR N . 52559 1 351 . 1 . 1 124 124 THR H H 1 8.288 0.000 . 1 . . . . . 124 THR H . 52559 1 352 . 1 . 1 124 124 THR CA C 13 60.697 0.013 . 1 . . . . . 124 THR CA . 52559 1 353 . 1 . 1 124 124 THR N N 15 117.734 0.000 . 1 . . . . . 124 THR N . 52559 1 354 . 1 . 1 125 125 PHE H H 1 8.079 0.000 . 1 . . . . . 125 PHE H . 52559 1 355 . 1 . 1 125 125 PHE CA C 13 55.809 0.008 . 1 . . . . . 125 PHE CA . 52559 1 356 . 1 . 1 125 125 PHE N N 15 121.876 0.000 . 1 . . . . . 125 PHE N . 52559 1 357 . 1 . 1 126 126 THR H H 1 7.441 0.000 . 1 . . . . . 126 THR H . 52559 1 358 . 1 . 1 126 126 THR CA C 13 62.118 0.011 . 1 . . . . . 126 THR CA . 52559 1 359 . 1 . 1 126 126 THR N N 15 116.639 0.003 . 1 . . . . . 126 THR N . 52559 1 360 . 1 . 1 127 127 GLN H H 1 8.926 0.001 . 1 . . . . . 127 GLN H . 52559 1 361 . 1 . 1 127 127 GLN CA C 13 52.816 0.001 . 1 . . . . . 127 GLN CA . 52559 1 362 . 1 . 1 127 127 GLN N N 15 121.417 0.006 . 1 . . . . . 127 GLN N . 52559 1 363 . 1 . 1 128 128 TYR H H 1 8.135 0.002 . 1 . . . . . 128 TYR H . 52559 1 364 . 1 . 1 128 128 TYR CA C 13 51.699 0.003 . 1 . . . . . 128 TYR CA . 52559 1 365 . 1 . 1 128 128 TYR N N 15 122.050 0.007 . 1 . . . . . 128 TYR N . 52559 1 366 . 1 . 1 129 129 TRP H H 1 8.619 0.000 . 1 . . . . . 129 TRP H . 52559 1 367 . 1 . 1 129 129 TRP CA C 13 55.804 0.005 . 1 . . . . . 129 TRP CA . 52559 1 368 . 1 . 1 129 129 TRP N N 15 117.734 0.004 . 1 . . . . . 129 TRP N . 52559 1 369 . 1 . 1 130 130 SER H H 1 8.885 0.000 . 1 . . . . . 130 SER H . 52559 1 370 . 1 . 1 130 130 SER CA C 13 58.162 0.003 . 1 . . . . . 130 SER CA . 52559 1 371 . 1 . 1 130 130 SER N N 15 119.684 0.007 . 1 . . . . . 130 SER N . 52559 1 372 . 1 . 1 131 131 VAL H H 1 10.181 0.000 . 1 . . . . . 131 VAL H . 52559 1 373 . 1 . 1 131 131 VAL CA C 13 61.339 0.006 . 1 . . . . . 131 VAL CA . 52559 1 374 . 1 . 1 131 131 VAL N N 15 124.334 0.011 . 1 . . . . . 131 VAL N . 52559 1 375 . 1 . 1 132 132 ARG H H 1 8.941 0.000 . 1 . . . . . 132 ARG H . 52559 1 376 . 1 . 1 132 132 ARG CA C 13 58.910 0.003 . 1 . . . . . 132 ARG CA . 52559 1 377 . 1 . 1 132 132 ARG N N 15 136.078 0.001 . 1 . . . . . 132 ARG N . 52559 1 378 . 1 . 1 133 133 GLN H H 1 8.926 0.000 . 1 . . . . . 133 GLN H . 52559 1 379 . 1 . 1 133 133 GLN CA C 13 59.848 0.005 . 1 . . . . . 133 GLN CA . 52559 1 380 . 1 . 1 133 133 GLN N N 15 121.826 0.002 . 1 . . . . . 133 GLN N . 52559 1 381 . 1 . 1 134 134 SER H H 1 7.566 0.001 . 1 . . . . . 134 SER H . 52559 1 382 . 1 . 1 134 134 SER CA C 13 56.227 0.008 . 1 . . . . . 134 SER CA . 52559 1 383 . 1 . 1 134 134 SER N N 15 109.577 0.016 . 1 . . . . . 134 SER N . 52559 1 384 . 1 . 1 135 135 LYS H H 1 8.643 0.000 . 1 . . . . . 135 LYS H . 52559 1 385 . 1 . 1 135 135 LYS CA C 13 58.546 0.002 . 1 . . . . . 135 LYS CA . 52559 1 386 . 1 . 1 135 135 LYS N N 15 124.572 0.004 . 1 . . . . . 135 LYS N . 52559 1 387 . 1 . 1 136 136 ARG H H 1 8.957 0.000 . 1 . . . . . 136 ARG H . 52559 1 388 . 1 . 1 136 136 ARG CA C 13 55.014 0.000 . 1 . . . . . 136 ARG CA . 52559 1 389 . 1 . 1 136 136 ARG N N 15 126.823 0.007 . 1 . . . . . 136 ARG N . 52559 1 390 . 1 . 1 137 137 PRO CA C 13 63.621 0.000 . 1 . . . . . 137 PRO CA . 52559 1 391 . 1 . 1 138 138 THR H H 1 8.501 0.001 . 1 . . . . . 138 THR H . 52559 1 392 . 1 . 1 138 138 THR CA C 13 60.457 0.014 . 1 . . . . . 138 THR CA . 52559 1 393 . 1 . 1 138 138 THR N N 15 114.196 0.015 . 1 . . . . . 138 THR N . 52559 1 394 . 1 . 1 139 139 GLY H H 1 8.058 0.004 . 1 . . . . . 139 GLY H . 52559 1 395 . 1 . 1 139 139 GLY CA C 13 45.602 0.008 . 1 . . . . . 139 GLY CA . 52559 1 396 . 1 . 1 139 139 GLY N N 15 109.803 0.124 . 1 . . . . . 139 GLY N . 52559 1 397 . 1 . 1 140 140 SER H H 1 7.429 0.000 . 1 . . . . . 140 SER H . 52559 1 398 . 1 . 1 140 140 SER CA C 13 56.154 0.037 . 1 . . . . . 140 SER CA . 52559 1 399 . 1 . 1 140 140 SER N N 15 113.139 0.005 . 1 . . . . . 140 SER N . 52559 1 400 . 1 . 1 141 141 ASN H H 1 8.700 0.000 . 1 . . . . . 141 ASN H . 52559 1 401 . 1 . 1 141 141 ASN CA C 13 54.424 0.010 . 1 . . . . . 141 ASN CA . 52559 1 402 . 1 . 1 141 141 ASN N N 15 121.713 0.005 . 1 . . . . . 141 ASN N . 52559 1 403 . 1 . 1 142 142 ALA H H 1 9.341 0.000 . 1 . . . . . 142 ALA H . 52559 1 404 . 1 . 1 142 142 ALA CA C 13 51.002 0.001 . 1 . . . . . 142 ALA CA . 52559 1 405 . 1 . 1 142 142 ALA N N 15 129.755 0.009 . 1 . . . . . 142 ALA N . 52559 1 406 . 1 . 1 143 143 THR H H 1 7.229 0.000 . 1 . . . . . 143 THR H . 52559 1 407 . 1 . 1 143 143 THR CA C 13 60.504 0.001 . 1 . . . . . 143 THR CA . 52559 1 408 . 1 . 1 143 143 THR N N 15 110.746 0.002 . 1 . . . . . 143 THR N . 52559 1 409 . 1 . 1 144 144 ILE H H 1 9.547 0.000 . 1 . . . . . 144 ILE H . 52559 1 410 . 1 . 1 144 144 ILE CA C 13 61.333 0.001 . 1 . . . . . 144 ILE CA . 52559 1 411 . 1 . 1 144 144 ILE N N 15 126.043 0.000 . 1 . . . . . 144 ILE N . 52559 1 412 . 1 . 1 145 145 THR H H 1 10.513 0.000 . 1 . . . . . 145 THR H . 52559 1 413 . 1 . 1 145 145 THR CA C 13 61.788 0.008 . 1 . . . . . 145 THR CA . 52559 1 414 . 1 . 1 145 145 THR N N 15 131.077 0.002 . 1 . . . . . 145 THR N . 52559 1 415 . 1 . 1 146 146 PHE H H 1 7.535 0.000 . 1 . . . . . 146 PHE H . 52559 1 416 . 1 . 1 146 146 PHE CA C 13 59.880 0.015 . 1 . . . . . 146 PHE CA . 52559 1 417 . 1 . 1 146 146 PHE N N 15 127.935 0.001 . 1 . . . . . 146 PHE N . 52559 1 418 . 1 . 1 147 147 THR H H 1 8.486 0.002 . 1 . . . . . 147 THR H . 52559 1 419 . 1 . 1 147 147 THR CA C 13 65.232 0.005 . 1 . . . . . 147 THR CA . 52559 1 420 . 1 . 1 147 147 THR N N 15 113.879 0.076 . 1 . . . . . 147 THR N . 52559 1 421 . 1 . 1 148 148 ASN H H 1 7.146 0.000 . 1 . . . . . 148 ASN H . 52559 1 422 . 1 . 1 148 148 ASN CA C 13 54.942 0.010 . 1 . . . . . 148 ASN CA . 52559 1 423 . 1 . 1 148 148 ASN N N 15 116.363 0.002 . 1 . . . . . 148 ASN N . 52559 1 424 . 1 . 1 149 149 HIS H H 1 6.556 0.000 . 1 . . . . . 149 HIS H . 52559 1 425 . 1 . 1 149 149 HIS CA C 13 59.454 0.009 . 1 . . . . . 149 HIS CA . 52559 1 426 . 1 . 1 149 149 HIS N N 15 121.600 0.001 . 1 . . . . . 149 HIS N . 52559 1 427 . 1 . 1 150 150 VAL H H 1 6.995 0.000 . 1 . . . . . 150 VAL H . 52559 1 428 . 1 . 1 150 150 VAL CA C 13 66.498 0.002 . 1 . . . . . 150 VAL CA . 52559 1 429 . 1 . 1 150 150 VAL N N 15 117.181 0.004 . 1 . . . . . 150 VAL N . 52559 1 430 . 1 . 1 151 151 ASN H H 1 7.968 0.000 . 1 . . . . . 151 ASN H . 52559 1 431 . 1 . 1 151 151 ASN CA C 13 55.597 0.002 . 1 . . . . . 151 ASN CA . 52559 1 432 . 1 . 1 151 151 ASN N N 15 116.484 0.008 . 1 . . . . . 151 ASN N . 52559 1 433 . 1 . 1 152 152 ALA H H 1 7.253 0.000 . 1 . . . . . 152 ALA H . 52559 1 434 . 1 . 1 152 152 ALA CA C 13 54.834 0.006 . 1 . . . . . 152 ALA CA . 52559 1 435 . 1 . 1 152 152 ALA N N 15 125.124 0.003 . 1 . . . . . 152 ALA N . 52559 1 436 . 1 . 1 153 153 TRP H H 1 9.088 0.000 . 1 . . . . . 153 TRP H . 52559 1 437 . 1 . 1 153 153 TRP CA C 13 58.442 0.016 . 1 . . . . . 153 TRP CA . 52559 1 438 . 1 . 1 153 153 TRP N N 15 122.013 0.006 . 1 . . . . . 153 TRP N . 52559 1 439 . 1 . 1 154 154 LYS H H 1 8.234 0.001 . 1 . . . . . 154 LYS H . 52559 1 440 . 1 . 1 154 154 LYS CA C 13 60.594 0.007 . 1 . . . . . 154 LYS CA . 52559 1 441 . 1 . 1 154 154 LYS N N 15 121.795 0.005 . 1 . . . . . 154 LYS N . 52559 1 442 . 1 . 1 155 155 SER H H 1 7.660 0.002 . 1 . . . . . 155 SER H . 52559 1 443 . 1 . 1 155 155 SER CA C 13 61.079 0.001 . 1 . . . . . 155 SER CA . 52559 1 444 . 1 . 1 155 155 SER N N 15 116.195 0.002 . 1 . . . . . 155 SER N . 52559 1 445 . 1 . 1 156 156 HIS H H 1 7.412 0.000 . 1 . . . . . 156 HIS H . 52559 1 446 . 1 . 1 156 156 HIS CA C 13 55.299 0.007 . 1 . . . . . 156 HIS CA . 52559 1 447 . 1 . 1 156 156 HIS N N 15 118.234 0.004 . 1 . . . . . 156 HIS N . 52559 1 448 . 1 . 1 157 157 GLY H H 1 7.764 0.000 . 1 . . . . . 157 GLY H . 52559 1 449 . 1 . 1 157 157 GLY CA C 13 45.977 0.005 . 1 . . . . . 157 GLY CA . 52559 1 450 . 1 . 1 157 157 GLY N N 15 107.646 0.003 . 1 . . . . . 157 GLY N . 52559 1 451 . 1 . 1 158 158 MET H H 1 7.686 0.000 . 1 . . . . . 158 MET H . 52559 1 452 . 1 . 1 158 158 MET CA C 13 53.893 0.009 . 1 . . . . . 158 MET CA . 52559 1 453 . 1 . 1 158 158 MET N N 15 121.430 0.006 . 1 . . . . . 158 MET N . 52559 1 454 . 1 . 1 159 159 ASN H H 1 8.080 0.000 . 1 . . . . . 159 ASN H . 52559 1 455 . 1 . 1 159 159 ASN CA C 13 52.728 0.002 . 1 . . . . . 159 ASN CA . 52559 1 456 . 1 . 1 159 159 ASN N N 15 119.719 0.009 . 1 . . . . . 159 ASN N . 52559 1 457 . 1 . 1 160 160 LEU H H 1 9.288 0.000 . 1 . . . . . 160 LEU H . 52559 1 458 . 1 . 1 160 160 LEU CA C 13 54.480 0.004 . 1 . . . . . 160 LEU CA . 52559 1 459 . 1 . 1 160 160 LEU N N 15 129.124 0.006 . 1 . . . . . 160 LEU N . 52559 1 460 . 1 . 1 161 161 GLY H H 1 7.002 0.000 . 1 . . . . . 161 GLY H . 52559 1 461 . 1 . 1 161 161 GLY CA C 13 45.140 0.000 . 1 . . . . . 161 GLY CA . 52559 1 462 . 1 . 1 161 161 GLY N N 15 105.628 0.001 . 1 . . . . . 161 GLY N . 52559 1 463 . 1 . 1 162 162 SER H H 1 7.409 0.000 . 1 . . . . . 162 SER H . 52559 1 464 . 1 . 1 162 162 SER CA C 13 58.781 0.006 . 1 . . . . . 162 SER CA . 52559 1 465 . 1 . 1 162 162 SER N N 15 109.239 0.004 . 1 . . . . . 162 SER N . 52559 1 466 . 1 . 1 163 163 ASN H H 1 7.720 0.000 . 1 . . . . . 163 ASN H . 52559 1 467 . 1 . 1 163 163 ASN CA C 13 51.494 0.003 . 1 . . . . . 163 ASN CA . 52559 1 468 . 1 . 1 163 163 ASN N N 15 121.094 0.006 . 1 . . . . . 163 ASN N . 52559 1 469 . 1 . 1 164 164 TRP H H 1 9.077 0.000 . 1 . . . . . 164 TRP H . 52559 1 470 . 1 . 1 164 164 TRP CA C 13 60.129 0.003 . 1 . . . . . 164 TRP CA . 52559 1 471 . 1 . 1 164 164 TRP N N 15 127.866 0.009 . 1 . . . . . 164 TRP N . 52559 1 472 . 1 . 1 165 165 ALA H H 1 7.244 0.001 . 1 . . . . . 165 ALA H . 52559 1 473 . 1 . 1 165 165 ALA CA C 13 49.720 0.000 . 1 . . . . . 165 ALA CA . 52559 1 474 . 1 . 1 165 165 ALA N N 15 126.582 0.003 . 1 . . . . . 165 ALA N . 52559 1 475 . 1 . 1 166 166 TYR H H 1 6.197 0.000 . 1 . . . . . 166 TYR H . 52559 1 476 . 1 . 1 166 166 TYR CA C 13 57.948 0.010 . 1 . . . . . 166 TYR CA . 52559 1 477 . 1 . 1 166 166 TYR N N 15 116.104 0.001 . 1 . . . . . 166 TYR N . 52559 1 478 . 1 . 1 167 167 GLN H H 1 8.526 0.000 . 1 . . . . . 167 GLN H . 52559 1 479 . 1 . 1 167 167 GLN CA C 13 54.965 0.000 . 1 . . . . . 167 GLN CA . 52559 1 480 . 1 . 1 167 167 GLN N N 15 122.710 0.005 . 1 . . . . . 167 GLN N . 52559 1 481 . 1 . 1 168 168 VAL H H 1 9.821 0.000 . 1 . . . . . 168 VAL H . 52559 1 482 . 1 . 1 168 168 VAL CA C 13 58.828 0.001 . 1 . . . . . 168 VAL CA . 52559 1 483 . 1 . 1 168 168 VAL N N 15 118.772 0.007 . 1 . . . . . 168 VAL N . 52559 1 484 . 1 . 1 169 169 MET H H 1 8.441 0.001 . 1 . . . . . 169 MET H . 52559 1 485 . 1 . 1 169 169 MET CA C 13 54.486 0.008 . 1 . . . . . 169 MET CA . 52559 1 486 . 1 . 1 169 169 MET N N 15 122.459 0.018 . 1 . . . . . 169 MET N . 52559 1 487 . 1 . 1 170 170 ALA H H 1 9.664 0.001 . 1 . . . . . 170 ALA H . 52559 1 488 . 1 . 1 170 170 ALA CA C 13 51.831 0.001 . 1 . . . . . 170 ALA CA . 52559 1 489 . 1 . 1 170 170 ALA N N 15 133.849 0.004 . 1 . . . . . 170 ALA N . 52559 1 490 . 1 . 1 171 171 THR H H 1 8.888 0.000 . 1 . . . . . 171 THR H . 52559 1 491 . 1 . 1 171 171 THR CA C 13 62.373 0.004 . 1 . . . . . 171 THR CA . 52559 1 492 . 1 . 1 171 171 THR N N 15 113.619 0.003 . 1 . . . . . 171 THR N . 52559 1 493 . 1 . 1 172 172 GLU H H 1 8.535 0.000 . 1 . . . . . 172 GLU H . 52559 1 494 . 1 . 1 172 172 GLU CA C 13 52.774 0.006 . 1 . . . . . 172 GLU CA . 52559 1 495 . 1 . 1 172 172 GLU N N 15 126.775 0.011 . 1 . . . . . 172 GLU N . 52559 1 496 . 1 . 1 173 173 GLY H H 1 6.314 0.000 . 1 . . . . . 173 GLY H . 52559 1 497 . 1 . 1 173 173 GLY CA C 13 43.819 0.000 . 1 . . . . . 173 GLY CA . 52559 1 498 . 1 . 1 173 173 GLY N N 15 110.501 0.008 . 1 . . . . . 173 GLY N . 52559 1 499 . 1 . 1 174 174 TYR H H 1 6.941 0.000 . 1 . . . . . 174 TYR H . 52559 1 500 . 1 . 1 174 174 TYR CA C 13 56.584 0.006 . 1 . . . . . 174 TYR CA . 52559 1 501 . 1 . 1 174 174 TYR N N 15 116.787 0.003 . 1 . . . . . 174 TYR N . 52559 1 502 . 1 . 1 175 175 GLN H H 1 7.548 0.001 . 1 . . . . . 175 GLN H . 52559 1 503 . 1 . 1 175 175 GLN CA C 13 55.612 0.005 . 1 . . . . . 175 GLN CA . 52559 1 504 . 1 . 1 175 175 GLN N N 15 122.495 0.001 . 1 . . . . . 175 GLN N . 52559 1 505 . 1 . 1 176 176 SER H H 1 7.558 0.002 . 1 . . . . . 176 SER H . 52559 1 506 . 1 . 1 176 176 SER CA C 13 56.314 0.016 . 1 . . . . . 176 SER CA . 52559 1 507 . 1 . 1 176 176 SER N N 15 110.762 0.016 . 1 . . . . . 176 SER N . 52559 1 508 . 1 . 1 177 177 SER H H 1 7.480 0.001 . 1 . . . . . 177 SER H . 52559 1 509 . 1 . 1 177 177 SER CA C 13 56.288 0.038 . 1 . . . . . 177 SER CA . 52559 1 510 . 1 . 1 177 177 SER N N 15 110.776 0.044 . 1 . . . . . 177 SER N . 52559 1 511 . 1 . 1 178 178 GLY H H 1 7.472 0.001 . 1 . . . . . 178 GLY H . 52559 1 512 . 1 . 1 178 178 GLY CA C 13 44.499 0.001 . 1 . . . . . 178 GLY CA . 52559 1 513 . 1 . 1 178 178 GLY N N 15 107.177 0.000 . 1 . . . . . 178 GLY N . 52559 1 514 . 1 . 1 179 179 SER H H 1 6.201 0.000 . 1 . . . . . 179 SER H . 52559 1 515 . 1 . 1 179 179 SER CA C 13 57.422 0.007 . 1 . . . . . 179 SER CA . 52559 1 516 . 1 . 1 179 179 SER N N 15 111.840 0.004 . 1 . . . . . 179 SER N . 52559 1 517 . 1 . 1 180 180 SER H H 1 9.393 0.000 . 1 . . . . . 180 SER H . 52559 1 518 . 1 . 1 180 180 SER CA C 13 56.890 0.001 . 1 . . . . . 180 SER CA . 52559 1 519 . 1 . 1 180 180 SER N N 15 115.909 0.008 . 1 . . . . . 180 SER N . 52559 1 520 . 1 . 1 181 181 ASN H H 1 9.080 0.000 . 1 . . . . . 181 ASN H . 52559 1 521 . 1 . 1 181 181 ASN CA C 13 54.722 0.000 . 1 . . . . . 181 ASN CA . 52559 1 522 . 1 . 1 181 181 ASN N N 15 125.021 0.017 . 1 . . . . . 181 ASN N . 52559 1 523 . 1 . 1 182 182 VAL H H 1 8.482 0.000 . 1 . . . . . 182 VAL H . 52559 1 524 . 1 . 1 182 182 VAL CA C 13 60.963 0.000 . 1 . . . . . 182 VAL CA . 52559 1 525 . 1 . 1 182 182 VAL N N 15 125.198 0.005 . 1 . . . . . 182 VAL N . 52559 1 526 . 1 . 1 183 183 THR H H 1 8.422 0.000 . 1 . . . . . 183 THR H . 52559 1 527 . 1 . 1 183 183 THR CA C 13 62.051 0.012 . 1 . . . . . 183 THR CA . 52559 1 528 . 1 . 1 183 183 THR N N 15 122.550 0.003 . 1 . . . . . 183 THR N . 52559 1 529 . 1 . 1 184 184 VAL H H 1 8.398 0.000 . 1 . . . . . 184 VAL H . 52559 1 530 . 1 . 1 184 184 VAL CA C 13 61.289 0.006 . 1 . . . . . 184 VAL CA . 52559 1 531 . 1 . 1 184 184 VAL N N 15 128.156 0.008 . 1 . . . . . 184 VAL N . 52559 1 532 . 1 . 1 185 185 TRP H H 1 9.331 0.000 . 1 . . . . . 185 TRP H . 52559 1 533 . 1 . 1 185 185 TRP CA C 13 60.341 0.000 . 1 . . . . . 185 TRP CA . 52559 1 534 . 1 . 1 185 185 TRP N N 15 131.796 0.004 . 1 . . . . . 185 TRP N . 52559 1 stop_ save_