################################### # 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 53259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53259 1 2 '3D HNCA' . . . 53259 1 3 '3D HN(CO)CA' . . . 53259 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 . . 53259 1 2 $software_2 . . 53259 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 2 2 ALA CA C 13 52.582 0.000 . 1 . . . . . -1 ALA CA . 53259 1 2 . 1 . 1 3 3 MET H H 1 8.531 0.003 . 1 . . . . . 0 MET H . 53259 1 3 . 1 . 1 3 3 MET CA C 13 55.644 0.012 . 1 . . . . . 0 MET CA . 53259 1 4 . 1 . 1 3 3 MET N N 15 119.850 0.032 . 1 . . . . . 0 MET N . 53259 1 5 . 1 . 1 4 4 GLY H H 1 8.520 0.003 . 1 . . . . . 1 GLY H . 53259 1 6 . 1 . 1 4 4 GLY CA C 13 45.299 0.004 . 1 . . . . . 1 GLY CA . 53259 1 7 . 1 . 1 4 4 GLY N N 15 110.267 0.021 . 1 . . . . . 1 GLY N . 53259 1 8 . 1 . 1 5 5 SER H H 1 8.118 0.004 . 1 . . . . . 2 SER H . 53259 1 9 . 1 . 1 5 5 SER CA C 13 58.249 0.024 . 1 . . . . . 2 SER CA . 53259 1 10 . 1 . 1 5 5 SER N N 15 114.249 0.043 . 1 . . . . . 2 SER N . 53259 1 11 . 1 . 1 6 6 GLY H H 1 8.377 0.006 . 1 . . . . . 3 GLY H . 53259 1 12 . 1 . 1 6 6 GLY CA C 13 46.579 0.004 . 1 . . . . . 3 GLY CA . 53259 1 13 . 1 . 1 6 6 GLY N N 15 113.039 0.013 . 1 . . . . . 3 GLY N . 53259 1 14 . 1 . 1 7 7 LEU H H 1 8.330 0.005 . 1 . . . . . 4 LEU H . 53259 1 15 . 1 . 1 7 7 LEU CA C 13 56.834 0.033 . 1 . . . . . 4 LEU CA . 53259 1 16 . 1 . 1 7 7 LEU N N 15 120.450 0.038 . 1 . . . . . 4 LEU N . 53259 1 17 . 1 . 1 8 8 ALA H H 1 7.813 0.006 . 1 . . . . . 5 ALA H . 53259 1 18 . 1 . 1 8 8 ALA CA C 13 54.017 0.019 . 1 . . . . . 5 ALA CA . 53259 1 19 . 1 . 1 8 8 ALA N N 15 119.993 0.044 . 1 . . . . . 5 ALA N . 53259 1 20 . 1 . 1 9 9 LYS H H 1 7.305 0.008 . 1 . . . . . 6 LYS H . 53259 1 21 . 1 . 1 9 9 LYS CA C 13 58.345 0.016 . 1 . . . . . 6 LYS CA . 53259 1 22 . 1 . 1 9 9 LYS N N 15 116.338 0.037 . 1 . . . . . 6 LYS N . 53259 1 23 . 1 . 1 10 10 TYR H H 1 7.390 0.007 . 1 . . . . . 7 TYR H . 53259 1 24 . 1 . 1 10 10 TYR CA C 13 57.815 0.001 . 1 . . . . . 7 TYR CA . 53259 1 25 . 1 . 1 10 10 TYR N N 15 115.440 0.012 . 1 . . . . . 7 TYR N . 53259 1 26 . 1 . 1 11 11 LEU H H 1 7.566 0.005 . 1 . . . . . 8 LEU H . 53259 1 27 . 1 . 1 11 11 LEU CA C 13 51.299 0.000 . 1 . . . . . 8 LEU CA . 53259 1 28 . 1 . 1 11 11 LEU N N 15 117.759 0.047 . 1 . . . . . 8 LEU N . 53259 1 29 . 1 . 1 12 12 PRO CA C 13 63.690 0.000 . 1 . . . . . 9 PRO CA . 53259 1 30 . 1 . 1 13 13 GLY H H 1 8.784 0.002 . 1 . . . . . 10 GLY H . 53259 1 31 . 1 . 1 13 13 GLY CA C 13 46.142 0.005 . 1 . . . . . 10 GLY CA . 53259 1 32 . 1 . 1 13 13 GLY N N 15 111.156 0.020 . 1 . . . . . 10 GLY N . 53259 1 33 . 1 . 1 14 14 ALA H H 1 7.978 0.003 . 1 . . . . . 11 ALA H . 53259 1 34 . 1 . 1 14 14 ALA CA C 13 51.966 0.008 . 1 . . . . . 11 ALA CA . 53259 1 35 . 1 . 1 14 14 ALA N N 15 122.274 0.050 . 1 . . . . . 11 ALA N . 53259 1 36 . 1 . 1 15 15 THR H H 1 8.066 0.005 . 1 . . . . . 12 THR H . 53259 1 37 . 1 . 1 15 15 THR CA C 13 63.201 0.009 . 1 . . . . . 12 THR CA . 53259 1 38 . 1 . 1 15 15 THR N N 15 114.647 0.023 . 1 . . . . . 12 THR N . 53259 1 39 . 1 . 1 16 16 ASN H H 1 8.215 0.004 . 1 . . . . . 13 ASN H . 53259 1 40 . 1 . 1 16 16 ASN CA C 13 52.203 0.023 . 1 . . . . . 13 ASN CA . 53259 1 41 . 1 . 1 16 16 ASN N N 15 121.617 0.037 . 1 . . . . . 13 ASN N . 53259 1 42 . 1 . 1 17 17 LEU H H 1 9.013 0.005 . 1 . . . . . 14 LEU H . 53259 1 43 . 1 . 1 17 17 LEU CA C 13 52.967 0.012 . 1 . . . . . 14 LEU CA . 53259 1 44 . 1 . 1 17 17 LEU N N 15 118.198 0.033 . 1 . . . . . 14 LEU N . 53259 1 45 . 1 . 1 18 18 LEU H H 1 9.150 0.006 . 1 . . . . . 15 LEU H . 53259 1 46 . 1 . 1 18 18 LEU CA C 13 55.345 0.012 . 1 . . . . . 15 LEU CA . 53259 1 47 . 1 . 1 18 18 LEU N N 15 119.322 0.033 . 1 . . . . . 15 LEU N . 53259 1 48 . 1 . 1 19 19 SER H H 1 8.041 0.007 . 1 . . . . . 16 SER H . 53259 1 49 . 1 . 1 19 19 SER CA C 13 56.698 0.007 . 1 . . . . . 16 SER CA . 53259 1 50 . 1 . 1 19 19 SER N N 15 115.249 0.046 . 1 . . . . . 16 SER N . 53259 1 51 . 1 . 1 20 20 LYS H H 1 8.919 0.006 . 1 . . . . . 17 LYS H . 53259 1 52 . 1 . 1 20 20 LYS CA C 13 57.083 0.060 . 1 . . . . . 17 LYS CA . 53259 1 53 . 1 . 1 20 20 LYS N N 15 118.348 0.063 . 1 . . . . . 17 LYS N . 53259 1 54 . 1 . 1 21 21 SER H H 1 8.234 0.006 . 1 . . . . . 18 SER H . 53259 1 55 . 1 . 1 21 21 SER CA C 13 57.292 0.031 . 1 . . . . . 18 SER CA . 53259 1 56 . 1 . 1 21 21 SER N N 15 112.300 0.020 . 1 . . . . . 18 SER N . 53259 1 57 . 1 . 1 22 22 GLY H H 1 7.528 0.006 . 1 . . . . . 19 GLY H . 53259 1 58 . 1 . 1 22 22 GLY CA C 13 45.038 0.001 . 1 . . . . . 19 GLY CA . 53259 1 59 . 1 . 1 22 22 GLY N N 15 111.121 0.040 . 1 . . . . . 19 GLY N . 53259 1 60 . 1 . 1 23 23 GLU H H 1 8.566 0.005 . 1 . . . . . 20 GLU H . 53259 1 61 . 1 . 1 23 23 GLU CA C 13 56.414 0.002 . 1 . . . . . 20 GLU CA . 53259 1 62 . 1 . 1 23 23 GLU N N 15 122.412 0.042 . 1 . . . . . 20 GLU N . 53259 1 63 . 1 . 1 24 24 VAL H H 1 9.145 0.005 . 1 . . . . . 21 VAL H . 53259 1 64 . 1 . 1 24 24 VAL CA C 13 59.666 0.002 . 1 . . . . . 21 VAL CA . 53259 1 65 . 1 . 1 24 24 VAL N N 15 117.211 0.060 . 1 . . . . . 21 VAL N . 53259 1 66 . 1 . 1 25 25 SER H H 1 8.643 0.004 . 1 . . . . . 22 SER H . 53259 1 67 . 1 . 1 25 25 SER CA C 13 57.115 0.005 . 1 . . . . . 22 SER CA . 53259 1 68 . 1 . 1 25 25 SER N N 15 117.973 0.051 . 1 . . . . . 22 SER N . 53259 1 69 . 1 . 1 26 26 LEU H H 1 8.940 0.003 . 1 . . . . . 23 LEU H . 53259 1 70 . 1 . 1 26 26 LEU CA C 13 58.458 0.049 . 1 . . . . . 23 LEU CA . 53259 1 71 . 1 . 1 26 26 LEU N N 15 124.931 0.063 . 1 . . . . . 23 LEU N . 53259 1 72 . 1 . 1 27 27 GLY H H 1 8.596 0.005 . 1 . . . . . 24 GLY H . 53259 1 73 . 1 . 1 27 27 GLY CA C 13 46.438 0.002 . 1 . . . . . 24 GLY CA . 53259 1 74 . 1 . 1 27 27 GLY N N 15 105.694 0.023 . 1 . . . . . 24 GLY N . 53259 1 75 . 1 . 1 28 28 SER H H 1 7.810 0.007 . 1 . . . . . 25 SER H . 53259 1 76 . 1 . 1 28 28 SER CA C 13 60.588 0.003 . 1 . . . . . 25 SER CA . 53259 1 77 . 1 . 1 28 28 SER N N 15 116.150 0.023 . 1 . . . . . 25 SER N . 53259 1 78 . 1 . 1 29 29 LEU H H 1 7.570 0.007 . 1 . . . . . 26 LEU H . 53259 1 79 . 1 . 1 29 29 LEU CA C 13 54.732 0.025 . 1 . . . . . 26 LEU CA . 53259 1 80 . 1 . 1 29 29 LEU N N 15 121.772 0.028 . 1 . . . . . 26 LEU N . 53259 1 81 . 1 . 1 30 30 VAL H H 1 6.819 0.008 . 1 . . . . . 27 VAL H . 53259 1 82 . 1 . 1 30 30 VAL CA C 13 63.128 0.011 . 1 . . . . . 27 VAL CA . 53259 1 83 . 1 . 1 30 30 VAL N N 15 116.041 0.037 . 1 . . . . . 27 VAL N . 53259 1 84 . 1 . 1 31 31 GLY H H 1 9.975 0.001 . 1 . . . . . 28 GLY H . 53259 1 85 . 1 . 1 31 31 GLY CA C 13 45.786 0.004 . 1 . . . . . 28 GLY CA . 53259 1 86 . 1 . 1 31 31 GLY N N 15 116.849 0.023 . 1 . . . . . 28 GLY N . 53259 1 87 . 1 . 1 32 32 LYS H H 1 7.759 0.005 . 1 . . . . . 29 LYS H . 53259 1 88 . 1 . 1 32 32 LYS CA C 13 56.382 0.009 . 1 . . . . . 29 LYS CA . 53259 1 89 . 1 . 1 32 32 LYS N N 15 117.594 0.021 . 1 . . . . . 29 LYS N . 53259 1 90 . 1 . 1 33 33 THR H H 1 7.786 0.006 . 1 . . . . . 30 THR H . 53259 1 91 . 1 . 1 33 33 THR CA C 13 64.151 0.043 . 1 . . . . . 30 THR CA . 53259 1 92 . 1 . 1 33 33 THR N N 15 118.422 0.038 . 1 . . . . . 30 THR N . 53259 1 93 . 1 . 1 34 34 VAL H H 1 9.416 0.005 . 1 . . . . . 31 VAL H . 53259 1 94 . 1 . 1 34 34 VAL CA C 13 60.678 0.013 . 1 . . . . . 31 VAL CA . 53259 1 95 . 1 . 1 34 34 VAL N N 15 127.139 0.012 . 1 . . . . . 31 VAL N . 53259 1 96 . 1 . 1 35 35 PHE H H 1 9.138 0.006 . 1 . . . . . 32 PHE H . 53259 1 97 . 1 . 1 35 35 PHE CA C 13 55.735 0.016 . 1 . . . . . 32 PHE CA . 53259 1 98 . 1 . 1 35 35 PHE N N 15 124.324 0.036 . 1 . . . . . 32 PHE N . 53259 1 99 . 1 . 1 36 36 LEU H H 1 9.538 0.006 . 1 . . . . . 33 LEU H . 53259 1 100 . 1 . 1 36 36 LEU CA C 13 53.800 0.010 . 1 . . . . . 33 LEU CA . 53259 1 101 . 1 . 1 36 36 LEU N N 15 124.048 0.034 . 1 . . . . . 33 LEU N . 53259 1 102 . 1 . 1 37 37 TYR H H 1 8.928 0.005 . 1 . . . . . 34 TYR H . 53259 1 103 . 1 . 1 37 37 TYR CA C 13 53.145 0.000 . 1 . . . . . 34 TYR CA . 53259 1 104 . 1 . 1 37 37 TYR N N 15 125.615 0.059 . 1 . . . . . 34 TYR N . 53259 1 105 . 1 . 1 38 38 PHE H H 1 9.038 0.005 . 1 . . . . . 35 PHE H . 53259 1 106 . 1 . 1 38 38 PHE CA C 13 56.378 0.031 . 1 . . . . . 35 PHE CA . 53259 1 107 . 1 . 1 38 38 PHE N N 15 130.002 0.019 . 1 . . . . . 35 PHE N . 53259 1 108 . 1 . 1 39 39 SER H H 1 7.579 0.010 . 1 . . . . . 36 SER H . 53259 1 109 . 1 . 1 39 39 SER CA C 13 56.438 0.006 . 1 . . . . . 36 SER CA . 53259 1 110 . 1 . 1 39 39 SER N N 15 113.891 0.000 . 1 . . . . . 36 SER N . 53259 1 111 . 1 . 1 40 40 ALA H H 1 7.687 0.000 . 1 . . . . . 37 ALA H . 53259 1 112 . 1 . 1 40 40 ALA CA C 13 52.188 0.016 . 1 . . . . . 37 ALA CA . 53259 1 113 . 1 . 1 40 40 ALA N N 15 125.063 0.010 . 1 . . . . . 37 ALA N . 53259 1 114 . 1 . 1 41 41 SER H H 1 9.778 0.008 . 1 . . . . . 38 SER H . 53259 1 115 . 1 . 1 41 41 SER CA C 13 60.232 0.026 . 1 . . . . . 38 SER CA . 53259 1 116 . 1 . 1 41 41 SER N N 15 118.849 0.054 . 1 . . . . . 38 SER N . 53259 1 117 . 1 . 1 42 42 ALA H H 1 8.079 0.004 . 1 . . . . . 39 ALA H . 53259 1 118 . 1 . 1 42 42 ALA CA C 13 52.188 0.024 . 1 . . . . . 39 ALA CA . 53259 1 119 . 1 . 1 42 42 ALA N N 15 120.011 0.041 . 1 . . . . . 39 ALA N . 53259 1 120 . 1 . 1 43 43 CYS H H 1 6.929 0.008 . 1 . . . . . 40 CYS H . 53259 1 121 . 1 . 1 43 43 CYS CA C 13 55.847 0.000 . 1 . . . . . 40 CYS CA . 53259 1 122 . 1 . 1 43 43 CYS N N 15 119.902 0.026 . 1 . . . . . 40 CYS N . 53259 1 123 . 1 . 1 45 45 PRO CA C 13 66.011 0.000 . 1 . . . . . 42 PRO CA . 53259 1 124 . 1 . 1 46 46 CYS H H 1 7.806 0.005 . 1 . . . . . 43 CYS H . 53259 1 125 . 1 . 1 46 46 CYS CA C 13 64.678 0.004 . 1 . . . . . 43 CYS CA . 53259 1 126 . 1 . 1 46 46 CYS N N 15 116.863 0.017 . 1 . . . . . 43 CYS N . 53259 1 127 . 1 . 1 47 47 ARG H H 1 7.863 0.004 . 1 . . . . . 44 ARG H . 53259 1 128 . 1 . 1 47 47 ARG CA C 13 59.221 0.009 . 1 . . . . . 44 ARG CA . 53259 1 129 . 1 . 1 47 47 ARG N N 15 120.611 0.035 . 1 . . . . . 44 ARG N . 53259 1 130 . 1 . 1 48 48 GLY H H 1 7.862 0.006 . 1 . . . . . 45 GLY H . 53259 1 131 . 1 . 1 48 48 GLY CA C 13 46.012 0.001 . 1 . . . . . 45 GLY CA . 53259 1 132 . 1 . 1 48 48 GLY N N 15 102.108 0.035 . 1 . . . . . 45 GLY N . 53259 1 133 . 1 . 1 49 49 PHE H H 1 7.737 0.003 . 1 . . . . . 46 PHE H . 53259 1 134 . 1 . 1 49 49 PHE CA C 13 60.094 0.055 . 1 . . . . . 46 PHE CA . 53259 1 135 . 1 . 1 49 49 PHE N N 15 121.049 0.051 . 1 . . . . . 46 PHE N . 53259 1 136 . 1 . 1 50 50 THR H H 1 8.765 0.003 . 1 . . . . . 47 THR H . 53259 1 137 . 1 . 1 50 50 THR CA C 13 69.562 0.000 . 1 . . . . . 47 THR CA . 53259 1 138 . 1 . 1 50 50 THR N N 15 116.964 0.039 . 1 . . . . . 47 THR N . 53259 1 139 . 1 . 1 51 51 PRO CA C 13 65.785 0.000 . 1 . . . . . 48 PRO CA . 53259 1 140 . 1 . 1 52 52 VAL H H 1 6.901 0.010 . 1 . . . . . 49 VAL H . 53259 1 141 . 1 . 1 52 52 VAL CA C 13 65.508 0.012 . 1 . . . . . 49 VAL CA . 53259 1 142 . 1 . 1 52 52 VAL N N 15 120.309 0.000 . 1 . . . . . 49 VAL N . 53259 1 143 . 1 . 1 53 53 LEU H H 1 7.451 0.005 . 1 . . . . . 50 LEU H . 53259 1 144 . 1 . 1 53 53 LEU CA C 13 56.894 0.015 . 1 . . . . . 50 LEU CA . 53259 1 145 . 1 . 1 53 53 LEU N N 15 122.208 0.023 . 1 . . . . . 50 LEU N . 53259 1 146 . 1 . 1 54 54 ALA H H 1 9.166 0.007 . 1 . . . . . 51 ALA H . 53259 1 147 . 1 . 1 54 54 ALA CA C 13 56.474 0.014 . 1 . . . . . 51 ALA CA . 53259 1 148 . 1 . 1 54 54 ALA N N 15 122.106 0.035 . 1 . . . . . 51 ALA N . 53259 1 149 . 1 . 1 55 55 GLU H H 1 7.819 0.008 . 1 . . . . . 52 GLU H . 53259 1 150 . 1 . 1 55 55 GLU CA C 13 59.782 0.003 . 1 . . . . . 52 GLU CA . 53259 1 151 . 1 . 1 55 55 GLU N N 15 120.336 0.045 . 1 . . . . . 52 GLU N . 53259 1 152 . 1 . 1 56 56 PHE H H 1 7.746 0.011 . 1 . . . . . 53 PHE H . 53259 1 153 . 1 . 1 56 56 PHE CA C 13 61.712 0.037 . 1 . . . . . 53 PHE CA . 53259 1 154 . 1 . 1 56 56 PHE N N 15 120.732 0.022 . 1 . . . . . 53 PHE N . 53259 1 155 . 1 . 1 57 57 TYR H H 1 9.544 0.008 . 1 . . . . . 54 TYR H . 53259 1 156 . 1 . 1 57 57 TYR CA C 13 62.092 0.005 . 1 . . . . . 54 TYR CA . 53259 1 157 . 1 . 1 57 57 TYR N N 15 119.452 0.038 . 1 . . . . . 54 TYR N . 53259 1 158 . 1 . 1 58 58 GLU H H 1 9.277 0.007 . 1 . . . . . 55 GLU H . 53259 1 159 . 1 . 1 58 58 GLU CA C 13 59.728 0.003 . 1 . . . . . 55 GLU CA . 53259 1 160 . 1 . 1 58 58 GLU N N 15 122.140 0.040 . 1 . . . . . 55 GLU N . 53259 1 161 . 1 . 1 59 59 LYS H H 1 7.854 0.009 . 1 . . . . . 56 LYS H . 53259 1 162 . 1 . 1 59 59 LYS CA C 13 59.246 0.029 . 1 . . . . . 56 LYS CA . 53259 1 163 . 1 . 1 59 59 LYS N N 15 116.294 0.030 . 1 . . . . . 56 LYS N . 53259 1 164 . 1 . 1 60 60 HIS H H 1 7.684 0.005 . 1 . . . . . 57 HIS H . 53259 1 165 . 1 . 1 60 60 HIS CA C 13 57.035 0.030 . 1 . . . . . 57 HIS CA . 53259 1 166 . 1 . 1 60 60 HIS N N 15 111.251 0.018 . 1 . . . . . 57 HIS N . 53259 1 167 . 1 . 1 61 61 HIS H H 1 8.620 0.007 . 1 . . . . . 58 HIS H . 53259 1 168 . 1 . 1 61 61 HIS CA C 13 59.285 0.029 . 1 . . . . . 58 HIS CA . 53259 1 169 . 1 . 1 61 61 HIS N N 15 118.112 0.031 . 1 . . . . . 58 HIS N . 53259 1 170 . 1 . 1 62 62 VAL H H 1 6.927 0.009 . 1 . . . . . 59 VAL H . 53259 1 171 . 1 . 1 62 62 VAL CA C 13 65.233 0.001 . 1 . . . . . 59 VAL CA . 53259 1 172 . 1 . 1 62 62 VAL N N 15 118.808 0.053 . 1 . . . . . 59 VAL N . 53259 1 173 . 1 . 1 63 63 ALA H H 1 8.418 0.003 . 1 . . . . . 60 ALA H . 53259 1 174 . 1 . 1 63 63 ALA CA C 13 55.332 0.006 . 1 . . . . . 60 ALA CA . 53259 1 175 . 1 . 1 63 63 ALA N N 15 123.959 0.021 . 1 . . . . . 60 ALA N . 53259 1 176 . 1 . 1 64 64 LYS H H 1 8.260 0.001 . 1 . . . . . 61 LYS H . 53259 1 177 . 1 . 1 64 64 LYS CA C 13 55.920 0.005 . 1 . . . . . 61 LYS CA . 53259 1 178 . 1 . 1 64 64 LYS N N 15 112.118 0.028 . 1 . . . . . 61 LYS N . 53259 1 179 . 1 . 1 65 65 ASN H H 1 7.254 0.008 . 1 . . . . . 62 ASN H . 53259 1 180 . 1 . 1 65 65 ASN CA C 13 53.578 0.020 . 1 . . . . . 62 ASN CA . 53259 1 181 . 1 . 1 65 65 ASN N N 15 119.388 0.032 . 1 . . . . . 62 ASN N . 53259 1 182 . 1 . 1 66 66 PHE H H 1 8.425 0.007 . 1 . . . . . 63 PHE H . 53259 1 183 . 1 . 1 66 66 PHE CA C 13 54.753 0.017 . 1 . . . . . 63 PHE CA . 53259 1 184 . 1 . 1 66 66 PHE N N 15 113.158 0.035 . 1 . . . . . 63 PHE N . 53259 1 185 . 1 . 1 67 67 GLU H H 1 9.009 0.005 . 1 . . . . . 64 GLU H . 53259 1 186 . 1 . 1 67 67 GLU CA C 13 53.054 0.005 . 1 . . . . . 64 GLU CA . 53259 1 187 . 1 . 1 67 67 GLU N N 15 119.284 0.034 . 1 . . . . . 64 GLU N . 53259 1 188 . 1 . 1 68 68 VAL H H 1 9.395 0.004 . 1 . . . . . 65 VAL H . 53259 1 189 . 1 . 1 68 68 VAL CA C 13 60.676 0.009 . 1 . . . . . 65 VAL CA . 53259 1 190 . 1 . 1 68 68 VAL N N 15 125.468 0.039 . 1 . . . . . 65 VAL N . 53259 1 191 . 1 . 1 69 69 VAL H H 1 8.861 0.007 . 1 . . . . . 66 VAL H . 53259 1 192 . 1 . 1 69 69 VAL CA C 13 60.189 0.008 . 1 . . . . . 66 VAL CA . 53259 1 193 . 1 . 1 69 69 VAL N N 15 125.109 0.045 . 1 . . . . . 66 VAL N . 53259 1 194 . 1 . 1 70 70 LEU H H 1 9.311 0.007 . 1 . . . . . 67 LEU H . 53259 1 195 . 1 . 1 70 70 LEU CA C 13 56.060 0.000 . 1 . . . . . 67 LEU CA . 53259 1 196 . 1 . 1 70 70 LEU N N 15 129.395 0.044 . 1 . . . . . 67 LEU N . 53259 1 197 . 1 . 1 71 71 ILE H H 1 9.011 0.007 . 1 . . . . . 68 ILE H . 53259 1 198 . 1 . 1 71 71 ILE CA C 13 58.112 0.025 . 1 . . . . . 68 ILE CA . 53259 1 199 . 1 . 1 71 71 ILE N N 15 131.222 0.031 . 1 . . . . . 68 ILE N . 53259 1 200 . 1 . 1 72 72 SER H H 1 8.906 0.004 . 1 . . . . . 69 SER H . 53259 1 201 . 1 . 1 72 72 SER CA C 13 59.050 0.010 . 1 . . . . . 69 SER CA . 53259 1 202 . 1 . 1 72 72 SER N N 15 117.479 0.042 . 1 . . . . . 69 SER N . 53259 1 203 . 1 . 1 73 73 TRP H H 1 9.005 0.007 . 1 . . . . . 70 TRP H . 53259 1 204 . 1 . 1 73 73 TRP HE1 H 1 10.447 0.000 . 1 . . . . . 70 TRP HE1 . 53259 1 205 . 1 . 1 73 73 TRP CA C 13 55.928 0.072 . 1 . . . . . 70 TRP CA . 53259 1 206 . 1 . 1 73 73 TRP N N 15 129.270 0.055 . 1 . . . . . 70 TRP N . 53259 1 207 . 1 . 1 73 73 TRP NE1 N 15 127.392 0.000 . 1 . . . . . 70 TRP NE1 . 53259 1 208 . 1 . 1 74 74 ASP H H 1 9.370 0.006 . 1 . . . . . 71 ASP H . 53259 1 209 . 1 . 1 74 74 ASP CA C 13 57.226 0.078 . 1 . . . . . 71 ASP CA . 53259 1 210 . 1 . 1 74 74 ASP N N 15 122.188 0.026 . 1 . . . . . 71 ASP N . 53259 1 211 . 1 . 1 75 75 GLU H H 1 8.859 0.008 . 1 . . . . . 72 GLU H . 53259 1 212 . 1 . 1 75 75 GLU CA C 13 57.516 0.045 . 1 . . . . . 72 GLU CA . 53259 1 213 . 1 . 1 75 75 GLU N N 15 117.311 0.046 . 1 . . . . . 72 GLU N . 53259 1 214 . 1 . 1 76 76 ASN H H 1 7.580 0.005 . 1 . . . . . 73 ASN H . 53259 1 215 . 1 . 1 76 76 ASN CA C 13 51.884 0.016 . 1 . . . . . 73 ASN CA . 53259 1 216 . 1 . 1 76 76 ASN N N 15 112.732 0.029 . 1 . . . . . 73 ASN N . 53259 1 217 . 1 . 1 77 77 GLU H H 1 8.823 0.007 . 1 . . . . . 74 GLU H . 53259 1 218 . 1 . 1 77 77 GLU CA C 13 58.880 0.020 . 1 . . . . . 74 GLU CA . 53259 1 219 . 1 . 1 77 77 GLU N N 15 123.731 0.045 . 1 . . . . . 74 GLU N . 53259 1 220 . 1 . 1 78 78 SER H H 1 8.295 0.007 . 1 . . . . . 75 SER H . 53259 1 221 . 1 . 1 78 78 SER CA C 13 61.790 0.032 . 1 . . . . . 75 SER CA . 53259 1 222 . 1 . 1 78 78 SER N N 15 115.927 0.041 . 1 . . . . . 75 SER N . 53259 1 223 . 1 . 1 79 79 ASP H H 1 7.976 0.005 . 1 . . . . . 76 ASP H . 53259 1 224 . 1 . 1 79 79 ASP CA C 13 57.237 0.016 . 1 . . . . . 76 ASP CA . 53259 1 225 . 1 . 1 79 79 ASP N N 15 122.425 0.067 . 1 . . . . . 76 ASP N . 53259 1 226 . 1 . 1 80 80 PHE H H 1 7.433 0.006 . 1 . . . . . 77 PHE H . 53259 1 227 . 1 . 1 80 80 PHE CA C 13 61.339 0.022 . 1 . . . . . 77 PHE CA . 53259 1 228 . 1 . 1 80 80 PHE N N 15 119.595 0.032 . 1 . . . . . 77 PHE N . 53259 1 229 . 1 . 1 81 81 HIS H H 1 8.688 0.010 . 1 . . . . . 78 HIS H . 53259 1 230 . 1 . 1 81 81 HIS CA C 13 60.026 0.012 . 1 . . . . . 78 HIS CA . 53259 1 231 . 1 . 1 81 81 HIS N N 15 118.255 0.014 . 1 . . . . . 78 HIS N . 53259 1 232 . 1 . 1 82 82 ASP H H 1 8.196 0.009 . 1 . . . . . 79 ASP H . 53259 1 233 . 1 . 1 82 82 ASP CA C 13 57.123 0.027 . 1 . . . . . 79 ASP CA . 53259 1 234 . 1 . 1 82 82 ASP N N 15 120.348 0.019 . 1 . . . . . 79 ASP N . 53259 1 235 . 1 . 1 83 83 TYR H H 1 8.148 0.008 . 1 . . . . . 80 TYR H . 53259 1 236 . 1 . 1 83 83 TYR CA C 13 58.480 0.008 . 1 . . . . . 80 TYR CA . 53259 1 237 . 1 . 1 83 83 TYR N N 15 120.753 0.037 . 1 . . . . . 80 TYR N . 53259 1 238 . 1 . 1 84 84 TYR H H 1 8.946 0.004 . 1 . . . . . 81 TYR H . 53259 1 239 . 1 . 1 84 84 TYR CA C 13 59.016 0.005 . 1 . . . . . 81 TYR CA . 53259 1 240 . 1 . 1 84 84 TYR N N 15 119.133 0.039 . 1 . . . . . 81 TYR N . 53259 1 241 . 1 . 1 85 85 GLY H H 1 7.531 0.004 . 1 . . . . . 82 GLY H . 53259 1 242 . 1 . 1 85 85 GLY CA C 13 46.435 0.010 . 1 . . . . . 82 GLY CA . 53259 1 243 . 1 . 1 85 85 GLY N N 15 105.065 0.032 . 1 . . . . . 82 GLY N . 53259 1 244 . 1 . 1 86 86 LYS H H 1 6.932 0.007 . 1 . . . . . 83 LYS H . 53259 1 245 . 1 . 1 86 86 LYS CA C 13 55.528 0.010 . 1 . . . . . 83 LYS CA . 53259 1 246 . 1 . 1 86 86 LYS N N 15 117.198 0.046 . 1 . . . . . 83 LYS N . 53259 1 247 . 1 . 1 87 87 MET H H 1 7.454 0.005 . 1 . . . . . 84 MET H . 53259 1 248 . 1 . 1 87 87 MET CA C 13 52.628 0.000 . 1 . . . . . 84 MET CA . 53259 1 249 . 1 . 1 87 87 MET N N 15 118.710 0.027 . 1 . . . . . 84 MET N . 53259 1 250 . 1 . 1 89 89 TRP H H 1 5.400 0.006 . 1 . . . . . 86 TRP H . 53259 1 251 . 1 . 1 89 89 TRP HE1 H 1 9.424 0.000 . 1 . . . . . 86 TRP HE1 . 53259 1 252 . 1 . 1 89 89 TRP CA C 13 55.692 0.012 . 1 . . . . . 86 TRP CA . 53259 1 253 . 1 . 1 89 89 TRP N N 15 117.748 0.000 . 1 . . . . . 86 TRP N . 53259 1 254 . 1 . 1 89 89 TRP NE1 N 15 131.600 0.000 . 1 . . . . . 86 TRP NE1 . 53259 1 255 . 1 . 1 90 90 LEU H H 1 8.548 0.007 . 1 . . . . . 87 LEU H . 53259 1 256 . 1 . 1 90 90 LEU CA C 13 55.108 0.002 . 1 . . . . . 87 LEU CA . 53259 1 257 . 1 . 1 90 90 LEU N N 15 121.467 0.015 . 1 . . . . . 87 LEU N . 53259 1 258 . 1 . 1 91 91 ALA H H 1 8.687 0.009 . 1 . . . . . 88 ALA H . 53259 1 259 . 1 . 1 91 91 ALA CA C 13 51.869 0.003 . 1 . . . . . 88 ALA CA . 53259 1 260 . 1 . 1 91 91 ALA N N 15 118.678 0.039 . 1 . . . . . 88 ALA N . 53259 1 261 . 1 . 1 92 92 LEU H H 1 8.224 0.005 . 1 . . . . . 89 LEU H . 53259 1 262 . 1 . 1 92 92 LEU CA C 13 52.574 0.000 . 1 . . . . . 89 LEU CA . 53259 1 263 . 1 . 1 92 92 LEU N N 15 125.644 0.029 . 1 . . . . . 89 LEU N . 53259 1 264 . 1 . 1 93 93 PRO CA C 13 63.987 0.000 . 1 . . . . . 90 PRO CA . 53259 1 265 . 1 . 1 94 94 PHE H H 1 8.024 0.004 . 1 . . . . . 91 PHE H . 53259 1 266 . 1 . 1 94 94 PHE CA C 13 61.852 0.029 . 1 . . . . . 91 PHE CA . 53259 1 267 . 1 . 1 94 94 PHE N N 15 125.951 0.012 . 1 . . . . . 91 PHE N . 53259 1 268 . 1 . 1 95 95 ASP H H 1 8.239 0.004 . 1 . . . . . 92 ASP H . 53259 1 269 . 1 . 1 95 95 ASP CA C 13 55.171 0.005 . 1 . . . . . 92 ASP CA . 53259 1 270 . 1 . 1 95 95 ASP N N 15 112.058 0.018 . 1 . . . . . 92 ASP N . 53259 1 271 . 1 . 1 96 96 GLN H H 1 7.246 0.007 . 1 . . . . . 93 GLN H . 53259 1 272 . 1 . 1 96 96 GLN CA C 13 54.020 0.011 . 1 . . . . . 93 GLN CA . 53259 1 273 . 1 . 1 96 96 GLN N N 15 122.110 0.038 . 1 . . . . . 93 GLN N . 53259 1 274 . 1 . 1 97 97 ARG H H 1 7.734 0.007 . 1 . . . . . 94 ARG H . 53259 1 275 . 1 . 1 97 97 ARG CA C 13 58.631 0.010 . 1 . . . . . 94 ARG CA . 53259 1 276 . 1 . 1 97 97 ARG N N 15 122.884 0.029 . 1 . . . . . 94 ARG N . 53259 1 277 . 1 . 1 98 98 SER H H 1 8.994 0.003 . 1 . . . . . 95 SER H . 53259 1 278 . 1 . 1 98 98 SER CA C 13 61.644 0.016 . 1 . . . . . 95 SER CA . 53259 1 279 . 1 . 1 98 98 SER N N 15 117.079 0.014 . 1 . . . . . 95 SER N . 53259 1 280 . 1 . 1 99 99 THR H H 1 7.666 0.005 . 1 . . . . . 96 THR H . 53259 1 281 . 1 . 1 99 99 THR CA C 13 66.102 0.013 . 1 . . . . . 96 THR CA . 53259 1 282 . 1 . 1 99 99 THR N N 15 119.060 0.058 . 1 . . . . . 96 THR N . 53259 1 283 . 1 . 1 100 100 VAL H H 1 7.304 0.011 . 1 . . . . . 97 VAL H . 53259 1 284 . 1 . 1 100 100 VAL CA C 13 68.031 0.010 . 1 . . . . . 97 VAL CA . 53259 1 285 . 1 . 1 100 100 VAL N N 15 120.610 0.043 . 1 . . . . . 97 VAL N . 53259 1 286 . 1 . 1 101 101 SER H H 1 7.630 0.008 . 1 . . . . . 98 SER H . 53259 1 287 . 1 . 1 101 101 SER CA C 13 61.460 0.006 . 1 . . . . . 98 SER CA . 53259 1 288 . 1 . 1 101 101 SER N N 15 115.566 0.041 . 1 . . . . . 98 SER N . 53259 1 289 . 1 . 1 102 102 GLU H H 1 8.191 0.005 . 1 . . . . . 99 GLU H . 53259 1 290 . 1 . 1 102 102 GLU CA C 13 59.477 0.000 . 1 . . . . . 99 GLU CA . 53259 1 291 . 1 . 1 102 102 GLU N N 15 122.600 0.030 . 1 . . . . . 99 GLU N . 53259 1 292 . 1 . 1 103 103 LEU H H 1 8.924 0.006 . 1 . . . . . 100 LEU H . 53259 1 293 . 1 . 1 103 103 LEU CA C 13 57.991 0.025 . 1 . . . . . 100 LEU CA . 53259 1 294 . 1 . 1 103 103 LEU N N 15 120.916 0.036 . 1 . . . . . 100 LEU N . 53259 1 295 . 1 . 1 104 104 GLY H H 1 8.181 0.008 . 1 . . . . . 101 GLY H . 53259 1 296 . 1 . 1 104 104 GLY CA C 13 47.823 0.013 . 1 . . . . . 101 GLY CA . 53259 1 297 . 1 . 1 104 104 GLY N N 15 105.038 0.032 . 1 . . . . . 101 GLY N . 53259 1 298 . 1 . 1 105 105 LYS H H 1 7.625 0.009 . 1 . . . . . 102 LYS H . 53259 1 299 . 1 . 1 105 105 LYS CA C 13 58.910 0.010 . 1 . . . . . 102 LYS CA . 53259 1 300 . 1 . 1 105 105 LYS N N 15 120.916 0.053 . 1 . . . . . 102 LYS N . 53259 1 301 . 1 . 1 106 106 THR H H 1 8.630 0.004 . 1 . . . . . 103 THR H . 53259 1 302 . 1 . 1 106 106 THR CA C 13 66.719 0.007 . 1 . . . . . 103 THR CA . 53259 1 303 . 1 . 1 106 106 THR N N 15 118.680 0.061 . 1 . . . . . 103 THR N . 53259 1 304 . 1 . 1 107 107 PHE H H 1 7.826 0.004 . 1 . . . . . 104 PHE H . 53259 1 305 . 1 . 1 107 107 PHE CA C 13 57.467 0.000 . 1 . . . . . 104 PHE CA . 53259 1 306 . 1 . 1 107 107 PHE N N 15 114.637 0.046 . 1 . . . . . 104 PHE N . 53259 1 307 . 1 . 1 108 108 GLY H H 1 7.625 0.007 . 1 . . . . . 105 GLY H . 53259 1 308 . 1 . 1 108 108 GLY CA C 13 47.508 0.008 . 1 . . . . . 105 GLY CA . 53259 1 309 . 1 . 1 108 108 GLY N N 15 111.682 0.032 . 1 . . . . . 105 GLY N . 53259 1 310 . 1 . 1 109 109 VAL H H 1 8.419 0.005 . 1 . . . . . 106 VAL H . 53259 1 311 . 1 . 1 109 109 VAL CA C 13 63.437 0.005 . 1 . . . . . 106 VAL CA . 53259 1 312 . 1 . 1 109 109 VAL N N 15 120.058 0.042 . 1 . . . . . 106 VAL N . 53259 1 313 . 1 . 1 110 110 GLU H H 1 8.544 0.005 . 1 . . . . . 107 GLU H . 53259 1 314 . 1 . 1 110 110 GLU CA C 13 55.943 0.004 . 1 . . . . . 107 GLU CA . 53259 1 315 . 1 . 1 110 110 GLU N N 15 126.685 0.038 . 1 . . . . . 107 GLU N . 53259 1 316 . 1 . 1 111 111 SER H H 1 7.718 0.006 . 1 . . . . . 108 SER H . 53259 1 317 . 1 . 1 111 111 SER CA C 13 56.656 0.024 . 1 . . . . . 108 SER CA . 53259 1 318 . 1 . 1 111 111 SER N N 15 113.202 0.036 . 1 . . . . . 108 SER N . 53259 1 319 . 1 . 1 112 112 ILE H H 1 7.947 0.004 . 1 . . . . . 109 ILE H . 53259 1 320 . 1 . 1 112 112 ILE CA C 13 58.310 0.000 . 1 . . . . . 109 ILE CA . 53259 1 321 . 1 . 1 112 112 ILE N N 15 113.937 0.045 . 1 . . . . . 109 ILE N . 53259 1 322 . 1 . 1 113 113 PRO CA C 13 61.556 0.000 . 1 . . . . . 110 PRO CA . 53259 1 323 . 1 . 1 114 114 THR H H 1 8.109 0.006 . 1 . . . . . 111 THR H . 53259 1 324 . 1 . 1 114 114 THR CA C 13 63.514 0.001 . 1 . . . . . 111 THR CA . 53259 1 325 . 1 . 1 114 114 THR N N 15 116.907 0.055 . 1 . . . . . 111 THR N . 53259 1 326 . 1 . 1 115 115 LEU H H 1 8.895 0.006 . 1 . . . . . 112 LEU H . 53259 1 327 . 1 . 1 115 115 LEU CA C 13 53.404 0.029 . 1 . . . . . 112 LEU CA . 53259 1 328 . 1 . 1 115 115 LEU N N 15 127.275 0.065 . 1 . . . . . 112 LEU N . 53259 1 329 . 1 . 1 116 116 ILE H H 1 8.938 0.010 . 1 . . . . . 113 ILE H . 53259 1 330 . 1 . 1 116 116 ILE CA C 13 58.614 0.033 . 1 . . . . . 113 ILE CA . 53259 1 331 . 1 . 1 116 116 ILE N N 15 125.472 0.032 . 1 . . . . . 113 ILE N . 53259 1 332 . 1 . 1 117 117 THR H H 1 8.566 0.006 . 1 . . . . . 114 THR H . 53259 1 333 . 1 . 1 117 117 THR CA C 13 61.843 0.009 . 1 . . . . . 114 THR CA . 53259 1 334 . 1 . 1 117 117 THR N N 15 125.314 0.032 . 1 . . . . . 114 THR N . 53259 1 335 . 1 . 1 118 118 ILE H H 1 9.471 0.006 . 1 . . . . . 115 ILE H . 53259 1 336 . 1 . 1 118 118 ILE CA C 13 58.906 0.008 . 1 . . . . . 115 ILE CA . 53259 1 337 . 1 . 1 118 118 ILE N N 15 126.512 0.033 . 1 . . . . . 115 ILE N . 53259 1 338 . 1 . 1 119 119 ASN H H 1 8.707 0.007 . 1 . . . . . 116 ASN H . 53259 1 339 . 1 . 1 119 119 ASN CA C 13 53.455 0.015 . 1 . . . . . 116 ASN CA . 53259 1 340 . 1 . 1 119 119 ASN N N 15 124.901 0.034 . 1 . . . . . 116 ASN N . 53259 1 341 . 1 . 1 120 120 ALA H H 1 8.073 0.008 . 1 . . . . . 117 ALA H . 53259 1 342 . 1 . 1 120 120 ALA CA C 13 55.888 0.026 . 1 . . . . . 117 ALA CA . 53259 1 343 . 1 . 1 120 120 ALA N N 15 128.904 0.036 . 1 . . . . . 117 ALA N . 53259 1 344 . 1 . 1 121 121 ASP H H 1 8.486 0.007 . 1 . . . . . 118 ASP H . 53259 1 345 . 1 . 1 121 121 ASP CA C 13 56.905 0.018 . 1 . . . . . 118 ASP CA . 53259 1 346 . 1 . 1 121 121 ASP N N 15 115.393 0.048 . 1 . . . . . 118 ASP N . 53259 1 347 . 1 . 1 122 122 THR H H 1 8.009 0.005 . 1 . . . . . 119 THR H . 53259 1 348 . 1 . 1 122 122 THR CA C 13 61.541 0.060 . 1 . . . . . 119 THR CA . 53259 1 349 . 1 . 1 122 122 THR N N 15 107.244 0.038 . 1 . . . . . 119 THR N . 53259 1 350 . 1 . 1 123 123 GLY H H 1 8.778 0.004 . 1 . . . . . 120 GLY H . 53259 1 351 . 1 . 1 123 123 GLY CA C 13 45.581 0.006 . 1 . . . . . 120 GLY CA . 53259 1 352 . 1 . 1 123 123 GLY N N 15 112.234 0.035 . 1 . . . . . 120 GLY N . 53259 1 353 . 1 . 1 124 124 ALA H H 1 8.001 0.006 . 1 . . . . . 121 ALA H . 53259 1 354 . 1 . 1 124 124 ALA CA C 13 52.922 0.008 . 1 . . . . . 121 ALA CA . 53259 1 355 . 1 . 1 124 124 ALA N N 15 122.989 0.054 . 1 . . . . . 121 ALA N . 53259 1 356 . 1 . 1 125 125 ILE H H 1 8.661 0.003 . 1 . . . . . 122 ILE H . 53259 1 357 . 1 . 1 125 125 ILE CA C 13 61.096 0.008 . 1 . . . . . 122 ILE CA . 53259 1 358 . 1 . 1 125 125 ILE N N 15 121.559 0.049 . 1 . . . . . 122 ILE N . 53259 1 359 . 1 . 1 126 126 ILE H H 1 8.821 0.005 . 1 . . . . . 123 ILE H . 53259 1 360 . 1 . 1 126 126 ILE CA C 13 62.748 0.002 . 1 . . . . . 123 ILE CA . 53259 1 361 . 1 . 1 126 126 ILE N N 15 132.088 0.012 . 1 . . . . . 123 ILE N . 53259 1 362 . 1 . 1 127 127 GLY H H 1 7.560 0.007 . 1 . . . . . 124 GLY H . 53259 1 363 . 1 . 1 127 127 GLY CA C 13 45.765 0.011 . 1 . . . . . 124 GLY CA . 53259 1 364 . 1 . 1 127 127 GLY N N 15 104.308 0.062 . 1 . . . . . 124 GLY N . 53259 1 365 . 1 . 1 128 128 THR H H 1 8.786 0.004 . 1 . . . . . 125 THR H . 53259 1 366 . 1 . 1 128 128 THR CA C 13 61.753 0.032 . 1 . . . . . 125 THR CA . 53259 1 367 . 1 . 1 128 128 THR N N 15 107.605 0.065 . 1 . . . . . 125 THR N . 53259 1 368 . 1 . 1 129 129 GLN H H 1 7.997 0.011 . 1 . . . . . 126 GLN H . 53259 1 369 . 1 . 1 129 129 GLN CA C 13 54.794 0.010 . 1 . . . . . 126 GLN CA . 53259 1 370 . 1 . 1 129 129 GLN N N 15 119.810 0.041 . 1 . . . . . 126 GLN N . 53259 1 371 . 1 . 1 130 130 ALA H H 1 9.283 0.002 . 1 . . . . . 127 ALA H . 53259 1 372 . 1 . 1 130 130 ALA CA C 13 55.577 0.006 . 1 . . . . . 127 ALA CA . 53259 1 373 . 1 . 1 130 130 ALA N N 15 122.607 0.037 . 1 . . . . . 127 ALA N . 53259 1 374 . 1 . 1 131 131 ARG H H 1 8.139 0.006 . 1 . . . . . 128 ARG H . 53259 1 375 . 1 . 1 131 131 ARG CA C 13 59.370 0.012 . 1 . . . . . 128 ARG CA . 53259 1 376 . 1 . 1 131 131 ARG N N 15 116.474 0.039 . 1 . . . . . 128 ARG N . 53259 1 377 . 1 . 1 132 132 THR H H 1 7.067 0.009 . 1 . . . . . 129 THR H . 53259 1 378 . 1 . 1 132 132 THR CA C 13 64.420 0.013 . 1 . . . . . 129 THR CA . 53259 1 379 . 1 . 1 132 132 THR N N 15 109.708 0.035 . 1 . . . . . 129 THR N . 53259 1 380 . 1 . 1 133 133 ARG H H 1 7.208 0.006 . 1 . . . . . 130 ARG H . 53259 1 381 . 1 . 1 133 133 ARG CA C 13 57.159 0.018 . 1 . . . . . 130 ARG CA . 53259 1 382 . 1 . 1 133 133 ARG N N 15 120.042 0.026 . 1 . . . . . 130 ARG N . 53259 1 383 . 1 . 1 134 134 VAL H H 1 7.546 0.004 . 1 . . . . . 131 VAL H . 53259 1 384 . 1 . 1 134 134 VAL CA C 13 64.569 0.002 . 1 . . . . . 131 VAL CA . 53259 1 385 . 1 . 1 134 134 VAL N N 15 116.256 0.031 . 1 . . . . . 131 VAL N . 53259 1 386 . 1 . 1 135 135 ILE H H 1 6.335 0.008 . 1 . . . . . 132 ILE H . 53259 1 387 . 1 . 1 135 135 ILE CA C 13 62.750 0.006 . 1 . . . . . 132 ILE CA . 53259 1 388 . 1 . 1 135 135 ILE N N 15 116.361 0.041 . 1 . . . . . 132 ILE N . 53259 1 389 . 1 . 1 136 136 GLU H H 1 7.063 0.010 . 1 . . . . . 133 GLU H . 53259 1 390 . 1 . 1 136 136 GLU CA C 13 57.105 0.019 . 1 . . . . . 133 GLU CA . 53259 1 391 . 1 . 1 136 136 GLU N N 15 116.765 0.021 . 1 . . . . . 133 GLU N . 53259 1 392 . 1 . 1 137 137 ASP H H 1 7.962 0.007 . 1 . . . . . 134 ASP H . 53259 1 393 . 1 . 1 137 137 ASP CA C 13 51.625 0.000 . 1 . . . . . 134 ASP CA . 53259 1 394 . 1 . 1 137 137 ASP N N 15 118.604 0.052 . 1 . . . . . 134 ASP N . 53259 1 395 . 1 . 1 138 138 PRO CA C 13 65.042 0.000 . 1 . . . . . 135 PRO CA . 53259 1 396 . 1 . 1 139 139 ASP H H 1 8.624 0.003 . 1 . . . . . 136 ASP H . 53259 1 397 . 1 . 1 139 139 ASP CA C 13 54.168 0.001 . 1 . . . . . 136 ASP CA . 53259 1 398 . 1 . 1 139 139 ASP N N 15 115.285 0.052 . 1 . . . . . 136 ASP N . 53259 1 399 . 1 . 1 140 140 GLY H H 1 8.867 0.006 . 1 . . . . . 137 GLY H . 53259 1 400 . 1 . 1 140 140 GLY CA C 13 48.051 0.002 . 1 . . . . . 137 GLY CA . 53259 1 401 . 1 . 1 140 140 GLY N N 15 110.118 0.040 . 1 . . . . . 137 GLY N . 53259 1 402 . 1 . 1 141 141 ALA H H 1 9.979 0.008 . 1 . . . . . 138 ALA H . 53259 1 403 . 1 . 1 141 141 ALA CA C 13 55.515 0.014 . 1 . . . . . 138 ALA CA . 53259 1 404 . 1 . 1 141 141 ALA N N 15 127.128 0.047 . 1 . . . . . 138 ALA N . 53259 1 405 . 1 . 1 142 142 ASN H H 1 10.418 0.006 . 1 . . . . . 139 ASN H . 53259 1 406 . 1 . 1 142 142 ASN CA C 13 51.731 0.040 . 1 . . . . . 139 ASN CA . 53259 1 407 . 1 . 1 142 142 ASN N N 15 114.551 0.038 . 1 . . . . . 139 ASN N . 53259 1 408 . 1 . 1 143 143 PHE H H 1 6.748 0.008 . 1 . . . . . 140 PHE H . 53259 1 409 . 1 . 1 143 143 PHE CA C 13 55.981 0.000 . 1 . . . . . 140 PHE CA . 53259 1 410 . 1 . 1 143 143 PHE N N 15 122.964 0.047 . 1 . . . . . 140 PHE N . 53259 1 411 . 1 . 1 144 144 PRO CA C 13 63.876 0.000 . 1 . . . . . 141 PRO CA . 53259 1 412 . 1 . 1 145 145 TRP H H 1 8.504 0.007 . 1 . . . . . 142 TRP H . 53259 1 413 . 1 . 1 145 145 TRP HE1 H 1 12.186 0.000 . 1 . . . . . 142 TRP HE1 . 53259 1 414 . 1 . 1 145 145 TRP CA C 13 57.814 0.000 . 1 . . . . . 142 TRP CA . 53259 1 415 . 1 . 1 145 145 TRP N N 15 118.206 0.037 . 1 . . . . . 142 TRP N . 53259 1 416 . 1 . 1 145 145 TRP NE1 N 15 134.474 0.000 . 1 . . . . . 142 TRP NE1 . 53259 1 417 . 1 . 1 146 146 PRO CA C 13 63.250 0.000 . 1 . . . . . 143 PRO CA . 53259 1 418 . 1 . 1 147 147 ASN H H 1 8.252 0.004 . 1 . . . . . 144 ASN H . 53259 1 419 . 1 . 1 147 147 ASN CA C 13 55.709 0.000 . 1 . . . . . 144 ASN CA . 53259 1 420 . 1 . 1 147 147 ASN N N 15 123.683 0.033 . 1 . . . . . 144 ASN N . 53259 1 stop_ save_