################################### # 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 50203 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PfD_cGMP_bound _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 2 '2D 1H-15N HSQC' . . . 50203 1 3 '2D 1H-13C HSQC' . . . 50203 1 4 '3D HNCACB' . . . 50203 1 5 '3D HN(CO)CA' . . . 50203 1 6 '3D HNCA' . . . 50203 1 7 '3D CBCA(CO)NH' . . . 50203 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 . . 50203 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 H H 1 8.334 0.02 . 1 . . . . . 2 ALA H . 50203 1 2 . 1 . 1 2 2 ALA CA C 13 53.2 0.15 . 1 . . . . . 2 ALA CA . 50203 1 3 . 1 . 1 2 2 ALA CB C 13 19.2 0.15 . 1 . . . . . 2 ALA CB . 50203 1 4 . 1 . 1 2 2 ALA N N 15 124.8 0.15 . 1 . . . . . 2 ALA N . 50203 1 5 . 1 . 1 3 3 SER H H 1 8.255 0.02 . 1 . . . . . 3 SER H . 50203 1 6 . 1 . 1 3 3 SER CA C 13 59.4 0.15 . 1 . . . . . 3 SER CA . 50203 1 7 . 1 . 1 3 3 SER CB C 13 63.6 0.15 . 1 . . . . . 3 SER CB . 50203 1 8 . 1 . 1 3 3 SER N N 15 115.11 0.15 . 1 . . . . . 3 SER N . 50203 1 9 . 1 . 1 11 11 SER H H 1 7.843 0.02 . 1 . . . . . 11 SER H . 50203 1 10 . 1 . 1 11 11 SER CA C 13 61.5 0.15 . 1 . . . . . 11 SER CA . 50203 1 11 . 1 . 1 11 11 SER CB C 13 63 0.15 . 1 . . . . . 11 SER CB . 50203 1 12 . 1 . 1 11 11 SER N N 15 112.47 0.15 . 1 . . . . . 11 SER N . 50203 1 13 . 1 . 1 12 12 ILE H H 1 7.444 0.02 . 1 . . . . . 12 ILE H . 50203 1 14 . 1 . 1 12 12 ILE CA C 13 63.9 0.15 . 1 . . . . . 12 ILE CA . 50203 1 15 . 1 . 1 12 12 ILE CB C 13 37.8 0.15 . 1 . . . . . 12 ILE CB . 50203 1 16 . 1 . 1 12 12 ILE N N 15 120.85 0.15 . 1 . . . . . 12 ILE N . 50203 1 17 . 1 . 1 13 13 ILE H H 1 7.737 0.02 . 1 . . . . . 13 ILE H . 50203 1 18 . 1 . 1 13 13 ILE CA C 13 64.5 0.15 . 1 . . . . . 13 ILE CA . 50203 1 19 . 1 . 1 13 13 ILE CB C 13 37.8 0.15 . 1 . . . . . 13 ILE CB . 50203 1 20 . 1 . 1 13 13 ILE N N 15 119.65 0.15 . 1 . . . . . 13 ILE N . 50203 1 21 . 1 . 1 14 14 LYS H H 1 7.833 0.02 . 1 . . . . . 14 LYS H . 50203 1 22 . 1 . 1 14 14 LYS CA C 13 57.6 0.15 . 1 . . . . . 14 LYS CA . 50203 1 23 . 1 . 1 14 14 LYS CB C 13 31.7 0.15 . 1 . . . . . 14 LYS CB . 50203 1 24 . 1 . 1 14 14 LYS N N 15 115.37 0.15 . 1 . . . . . 14 LYS N . 50203 1 25 . 1 . 1 15 15 LYS H H 1 7.369 0.02 . 1 . . . . . 15 LYS H . 50203 1 26 . 1 . 1 15 15 LYS CA C 13 56.6 0.15 . 1 . . . . . 15 LYS CA . 50203 1 27 . 1 . 1 15 15 LYS CB C 13 33.3 0.15 . 1 . . . . . 15 LYS CB . 50203 1 28 . 1 . 1 15 15 LYS N N 15 116.94 0.15 . 1 . . . . . 15 LYS N . 50203 1 29 . 1 . 1 20 20 ARG H H 1 7.435 0.02 . 1 . . . . . 20 ARG H . 50203 1 30 . 1 . 1 20 20 ARG CA C 13 58.3 0.15 . 1 . . . . . 20 ARG CA . 50203 1 31 . 1 . 1 20 20 ARG CB C 13 29.6 0.15 . 1 . . . . . 20 ARG CB . 50203 1 32 . 1 . 1 20 20 ARG N N 15 119.29 0.15 . 1 . . . . . 20 ARG N . 50203 1 33 . 1 . 1 21 21 TYR H H 1 7.803 0.02 . 1 . . . . . 21 TYR H . 50203 1 34 . 1 . 1 21 21 TYR CA C 13 57.1 0.15 . 1 . . . . . 21 TYR CA . 50203 1 35 . 1 . 1 21 21 TYR CB C 13 38.1 0.15 . 1 . . . . . 21 TYR CB . 50203 1 36 . 1 . 1 21 21 TYR N N 15 115.67 0.15 . 1 . . . . . 21 TYR N . 50203 1 37 . 1 . 1 22 22 LEU H H 1 7.201 0.02 . 1 . . . . . 22 LEU H . 50203 1 38 . 1 . 1 22 22 LEU CA C 13 55.4 0.15 . 1 . . . . . 22 LEU CA . 50203 1 39 . 1 . 1 22 22 LEU CB C 13 42.8 0.15 . 1 . . . . . 22 LEU CB . 50203 1 40 . 1 . 1 22 22 LEU N N 15 119.62 0.15 . 1 . . . . . 22 LEU N . 50203 1 41 . 1 . 1 26 26 GLN H H 1 7.612 0.02 . 1 . . . . . 26 GLN H . 50203 1 42 . 1 . 1 26 26 GLN CA C 13 58.7 0.15 . 1 . . . . . 26 GLN CA . 50203 1 43 . 1 . 1 26 26 GLN CB C 13 29.5 0.15 . 1 . . . . . 26 GLN CB . 50203 1 44 . 1 . 1 26 26 GLN N N 15 118.74 0.15 . 1 . . . . . 26 GLN N . 50203 1 45 . 1 . 1 27 27 CYS H H 1 8.703 0.02 . 1 . . . . . 27 CYS H . 50203 1 46 . 1 . 1 27 27 CYS CA C 13 63.5 0.15 . 1 . . . . . 27 CYS CA . 50203 1 47 . 1 . 1 27 27 CYS CB C 13 26.4 0.15 . 1 . . . . . 27 CYS CB . 50203 1 48 . 1 . 1 27 27 CYS N N 15 118.07 0.15 . 1 . . . . . 27 CYS N . 50203 1 49 . 1 . 1 28 28 ASN H H 1 8.003 0.02 . 1 . . . . . 28 ASN H . 50203 1 50 . 1 . 1 28 28 ASN CA C 13 56.5 0.15 . 1 . . . . . 28 ASN CA . 50203 1 51 . 1 . 1 28 28 ASN CB C 13 38.1 0.15 . 1 . . . . . 28 ASN CB . 50203 1 52 . 1 . 1 28 28 ASN N N 15 117.03 0.15 . 1 . . . . . 28 ASN N . 50203 1 53 . 1 . 1 29 29 LEU H H 1 7.51 0.02 . 1 . . . . . 29 LEU H . 50203 1 54 . 1 . 1 29 29 LEU CA C 13 57.93 0.15 . 1 . . . . . 29 LEU CA . 50203 1 55 . 1 . 1 29 29 LEU CB C 13 42.09 0.15 . 1 . . . . . 29 LEU CB . 50203 1 56 . 1 . 1 29 29 LEU N N 15 120.4 0.15 . 1 . . . . . 29 LEU N . 50203 1 57 . 1 . 1 30 30 LEU H H 1 7.579 0.02 . 1 . . . . . 30 LEU H . 50203 1 58 . 1 . 1 30 30 LEU CA C 13 57.9 0.15 . 1 . . . . . 30 LEU CA . 50203 1 59 . 1 . 1 30 30 LEU CB C 13 42.11 0.15 . 1 . . . . . 30 LEU CB . 50203 1 60 . 1 . 1 30 30 LEU N N 15 118.76 0.15 . 1 . . . . . 30 LEU N . 50203 1 61 . 1 . 1 31 31 ILE H H 1 8.023 0.02 . 1 . . . . . 31 ILE H . 50203 1 62 . 1 . 1 31 31 ILE CA C 13 65.3 0.15 . 1 . . . . . 31 ILE CA . 50203 1 63 . 1 . 1 31 31 ILE CB C 13 37.8 0.15 . 1 . . . . . 31 ILE CB . 50203 1 64 . 1 . 1 31 31 ILE N N 15 115.77 0.15 . 1 . . . . . 31 ILE N . 50203 1 65 . 1 . 1 32 32 GLU H H 1 7.572 0.02 . 1 . . . . . 32 GLU H . 50203 1 66 . 1 . 1 32 32 GLU CA C 13 58.4 0.15 . 1 . . . . . 32 GLU CA . 50203 1 67 . 1 . 1 32 32 GLU CB C 13 29.6 0.15 . 1 . . . . . 32 GLU CB . 50203 1 68 . 1 . 1 32 32 GLU N N 15 117.01 0.15 . 1 . . . . . 32 GLU N . 50203 1 69 . 1 . 1 33 33 ALA H H 1 7.595 0.02 . 1 . . . . . 33 ALA H . 50203 1 70 . 1 . 1 33 33 ALA CA C 13 52.8 0.15 . 1 . . . . . 33 ALA CA . 50203 1 71 . 1 . 1 33 33 ALA CB C 13 21.2 0.15 . 1 . . . . . 33 ALA CB . 50203 1 72 . 1 . 1 33 33 ALA N N 15 120.09 0.15 . 1 . . . . . 33 ALA N . 50203 1 73 . 1 . 1 34 34 PHE H H 1 7.566 0.02 . 1 . . . . . 34 PHE H . 50203 1 74 . 1 . 1 34 34 PHE CA C 13 58.1 0.15 . 1 . . . . . 34 PHE CA . 50203 1 75 . 1 . 1 34 34 PHE CB C 13 39.4 0.15 . 1 . . . . . 34 PHE CB . 50203 1 76 . 1 . 1 34 34 PHE N N 15 118.46 0.15 . 1 . . . . . 34 PHE N . 50203 1 77 . 1 . 1 35 35 ARG H H 1 8.114 0.02 . 1 . . . . . 35 ARG H . 50203 1 78 . 1 . 1 35 35 ARG CA C 13 53.8 0.15 . 1 . . . . . 35 ARG CA . 50203 1 79 . 1 . 1 35 35 ARG CB C 13 33.4 0.15 . 1 . . . . . 35 ARG CB . 50203 1 80 . 1 . 1 35 35 ARG N N 15 122.75 0.15 . 1 . . . . . 35 ARG N . 50203 1 81 . 1 . 1 36 36 THR H H 1 8.282 0.02 . 1 . . . . . 36 THR H . 50203 1 82 . 1 . 1 36 36 THR CA C 13 61.3 0.15 . 1 . . . . . 36 THR CA . 50203 1 83 . 1 . 1 36 36 THR CB C 13 70.7 0.15 . 1 . . . . . 36 THR CB . 50203 1 84 . 1 . 1 36 36 THR N N 15 113.82 0.15 . 1 . . . . . 36 THR N . 50203 1 85 . 1 . 1 37 37 THR H H 1 9.005 0.02 . 1 . . . . . 37 THR H . 50203 1 86 . 1 . 1 37 37 THR CA C 13 61 0.15 . 1 . . . . . 37 THR CA . 50203 1 87 . 1 . 1 37 37 THR CB C 13 71.2 0.15 . 1 . . . . . 37 THR CB . 50203 1 88 . 1 . 1 37 37 THR N N 15 119.38 0.15 . 1 . . . . . 37 THR N . 50203 1 89 . 1 . 1 38 38 ARG H H 1 7.579 0.02 . 1 . . . . . 38 ARG H . 50203 1 90 . 1 . 1 38 38 ARG CA C 13 54.4 0.15 . 1 . . . . . 38 ARG CA . 50203 1 91 . 1 . 1 38 38 ARG CB C 13 33.7 0.15 . 1 . . . . . 38 ARG CB . 50203 1 92 . 1 . 1 38 38 ARG N N 15 123.263 0.15 . 1 . . . . . 38 ARG N . 50203 1 93 . 1 . 1 39 39 TYR H H 1 8.841 0.02 . 1 . . . . . 39 TYR H . 50203 1 94 . 1 . 1 39 39 TYR CA C 13 57.7 0.15 . 1 . . . . . 39 TYR CA . 50203 1 95 . 1 . 1 39 39 TYR CB C 13 43.3 0.15 . 1 . . . . . 39 TYR CB . 50203 1 96 . 1 . 1 39 39 TYR N N 15 120.36 0.15 . 1 . . . . . 39 TYR N . 50203 1 97 . 1 . 1 40 40 GLU H H 1 8.952 0.02 . 1 . . . . . 40 GLU H . 50203 1 98 . 1 . 1 40 40 GLU CA C 13 53.7 0.15 . 1 . . . . . 40 GLU CA . 50203 1 99 . 1 . 1 40 40 GLU CB C 13 31.2 0.15 . 1 . . . . . 40 GLU CB . 50203 1 100 . 1 . 1 40 40 GLU N N 15 119.66 0.15 . 1 . . . . . 40 GLU N . 50203 1 101 . 1 . 1 41 41 GLU H H 1 8.385 0.02 . 1 . . . . . 41 GLU H . 50203 1 102 . 1 . 1 41 41 GLU CA C 13 59 0.15 . 1 . . . . . 41 GLU CA . 50203 1 103 . 1 . 1 41 41 GLU CB C 13 29.6 0.15 . 1 . . . . . 41 GLU CB . 50203 1 104 . 1 . 1 41 41 GLU N N 15 121.86 0.15 . 1 . . . . . 41 GLU N . 50203 1 105 . 1 . 1 42 42 GLY H H 1 8.484 0.02 . 1 . . . . . 42 GLY H . 50203 1 106 . 1 . 1 42 42 GLY CA C 13 45 0.15 . 1 . . . . . 42 GLY CA . 50203 1 107 . 1 . 1 42 42 GLY N N 15 114.85 0.15 . 1 . . . . . 42 GLY N . 50203 1 108 . 1 . 1 43 43 ASP H H 1 7.733 0.02 . 1 . . . . . 43 ASP H . 50203 1 109 . 1 . 1 43 43 ASP CA C 13 55.1 0.15 . 1 . . . . . 43 ASP CA . 50203 1 110 . 1 . 1 43 43 ASP CB C 13 41.5 0.15 . 1 . . . . . 43 ASP CB . 50203 1 111 . 1 . 1 43 43 ASP N N 15 120.58 0.15 . 1 . . . . . 43 ASP N . 50203 1 112 . 1 . 1 44 44 TYR H H 1 9.025 0.02 . 1 . . . . . 44 TYR H . 50203 1 113 . 1 . 1 44 44 TYR CA C 13 59 0.15 . 1 . . . . . 44 TYR CA . 50203 1 114 . 1 . 1 44 44 TYR CB C 13 37.7 0.15 . 1 . . . . . 44 TYR CB . 50203 1 115 . 1 . 1 44 44 TYR N N 15 122 0.15 . 1 . . . . . 44 TYR N . 50203 1 116 . 1 . 1 45 45 ILE H H 1 8.616 0.02 . 1 . . . . . 45 ILE H . 50203 1 117 . 1 . 1 45 45 ILE CA C 13 63.8 0.15 . 1 . . . . . 45 ILE CA . 50203 1 118 . 1 . 1 45 45 ILE N N 15 127.72 0.15 . 1 . . . . . 45 ILE N . 50203 1 119 . 1 . 1 46 46 ILE H H 1 7.552 0.02 . 1 . . . . . 46 ILE H . 50203 1 120 . 1 . 1 46 46 ILE CA C 13 60.3 0.15 . 1 . . . . . 46 ILE CA . 50203 1 121 . 1 . 1 46 46 ILE CB C 13 43.9 0.15 . 1 . . . . . 46 ILE CB . 50203 1 122 . 1 . 1 46 46 ILE N N 15 116.41 0.15 . 1 . . . . . 46 ILE N . 50203 1 123 . 1 . 1 47 47 GLN H H 1 8.644 0.02 . 1 . . . . . 47 GLN H . 50203 1 124 . 1 . 1 47 47 GLN CA C 13 53.9 0.15 . 1 . . . . . 47 GLN CA . 50203 1 125 . 1 . 1 47 47 GLN CB C 13 31.1 0.15 . 1 . . . . . 47 GLN CB . 50203 1 126 . 1 . 1 47 47 GLN N N 15 126.71 0.15 . 1 . . . . . 47 GLN N . 50203 1 127 . 1 . 1 48 48 GLU H H 1 8.451 0.02 . 1 . . . . . 48 GLU H . 50203 1 128 . 1 . 1 48 48 GLU CA C 13 57.9 0.15 . 1 . . . . . 48 GLU CA . 50203 1 129 . 1 . 1 48 48 GLU CB C 13 29.7 0.15 . 1 . . . . . 48 GLU CB . 50203 1 130 . 1 . 1 48 48 GLU N N 15 125.84 0.15 . 1 . . . . . 48 GLU N . 50203 1 131 . 1 . 1 49 49 GLY H H 1 8.882 0.02 . 1 . . . . . 49 GLY H . 50203 1 132 . 1 . 1 49 49 GLY CA C 13 45.2 0.15 . 1 . . . . . 49 GLY CA . 50203 1 133 . 1 . 1 49 49 GLY N N 15 112.46 0.15 . 1 . . . . . 49 GLY N . 50203 1 134 . 1 . 1 50 50 GLU H H 1 7.509 0.02 . 1 . . . . . 50 GLU H . 50203 1 135 . 1 . 1 50 50 GLU CA C 13 55.3 0.15 . 1 . . . . . 50 GLU CA . 50203 1 136 . 1 . 1 50 50 GLU CB C 13 31.1 0.15 . 1 . . . . . 50 GLU CB . 50203 1 137 . 1 . 1 50 50 GLU N N 15 119.82 0.15 . 1 . . . . . 50 GLU N . 50203 1 138 . 1 . 1 51 51 VAL H H 1 8.41 0.02 . 1 . . . . . 51 VAL H . 50203 1 139 . 1 . 1 51 51 VAL CA C 13 63.2 0.15 . 1 . . . . . 51 VAL CA . 50203 1 140 . 1 . 1 51 51 VAL CB C 13 32 0.15 . 1 . . . . . 51 VAL CB . 50203 1 141 . 1 . 1 51 51 VAL N N 15 120.11 0.15 . 1 . . . . . 51 VAL N . 50203 1 142 . 1 . 1 52 52 GLY H H 1 9.424 0.02 . 1 . . . . . 52 GLY H . 50203 1 143 . 1 . 1 52 52 GLY CA C 13 45.4 0.15 . 1 . . . . . 52 GLY CA . 50203 1 144 . 1 . 1 52 52 GLY N N 15 114.06 0.15 . 1 . . . . . 52 GLY N . 50203 1 145 . 1 . 1 55 55 PHE H H 1 8.603 0.02 . 1 . . . . . 55 PHE H . 50203 1 146 . 1 . 1 55 55 PHE CA C 13 56.1 0.15 . 1 . . . . . 55 PHE CA . 50203 1 147 . 1 . 1 55 55 PHE CB C 13 42 0.15 . 1 . . . . . 55 PHE CB . 50203 1 148 . 1 . 1 55 55 PHE N N 15 123.59 0.15 . 1 . . . . . 55 PHE N . 50203 1 149 . 1 . 1 56 56 TYR H H 1 7.673 0.02 . 1 . . . . . 56 TYR H . 50203 1 150 . 1 . 1 56 56 TYR CA C 13 57.2 0.15 . 1 . . . . . 56 TYR CA . 50203 1 151 . 1 . 1 56 56 TYR CB C 13 42.4 0.15 . 1 . . . . . 56 TYR CB . 50203 1 152 . 1 . 1 56 56 TYR N N 15 122.85 0.15 . 1 . . . . . 56 TYR N . 50203 1 153 . 1 . 1 57 57 ILE H H 1 8.908 0.02 . 1 . . . . . 57 ILE H . 50203 1 154 . 1 . 1 57 57 ILE CA C 13 59.7 0.15 . 1 . . . . . 57 ILE CA . 50203 1 155 . 1 . 1 57 57 ILE CB C 13 42.5 0.15 . 1 . . . . . 57 ILE CB . 50203 1 156 . 1 . 1 57 57 ILE N N 15 115.39 0.15 . 1 . . . . . 57 ILE N . 50203 1 157 . 1 . 1 58 58 ILE H H 1 8.708 0.02 . 1 . . . . . 58 ILE H . 50203 1 158 . 1 . 1 58 58 ILE CA C 13 63.1 0.15 . 1 . . . . . 58 ILE CA . 50203 1 159 . 1 . 1 58 58 ILE CB C 13 37.7 0.15 . 1 . . . . . 58 ILE CB . 50203 1 160 . 1 . 1 58 58 ILE N N 15 125.69 0.15 . 1 . . . . . 58 ILE N . 50203 1 161 . 1 . 1 59 59 LYS H H 1 8.719 0.02 . 1 . . . . . 59 LYS H . 50203 1 162 . 1 . 1 59 59 LYS CA C 13 60 0.15 . 1 . . . . . 59 LYS CA . 50203 1 163 . 1 . 1 59 59 LYS N N 15 131.4 0.15 . 1 . . . . . 59 LYS N . 50203 1 164 . 1 . 1 60 60 ASN H H 1 8.009 0.02 . 1 . . . . . 60 ASN H . 50203 1 165 . 1 . 1 60 60 ASN CA C 13 53.9 0.15 . 1 . . . . . 60 ASN CA . 50203 1 166 . 1 . 1 60 60 ASN CB C 13 43.7 0.15 . 1 . . . . . 60 ASN CB . 50203 1 167 . 1 . 1 60 60 ASN N N 15 115.19 0.15 . 1 . . . . . 60 ASN N . 50203 1 168 . 1 . 1 61 61 GLY H H 1 8.473 0.02 . 1 . . . . . 61 GLY H . 50203 1 169 . 1 . 1 61 61 GLY CA C 13 44.1 0.15 . 1 . . . . . 61 GLY CA . 50203 1 170 . 1 . 1 61 61 GLY N N 15 110.7 0.15 . 1 . . . . . 61 GLY N . 50203 1 171 . 1 . 1 63 63 VAL H H 1 8.655 0.02 . 1 . . . . . 63 VAL H . 50203 1 172 . 1 . 1 63 63 VAL CA C 13 57.8 0.15 . 1 . . . . . 63 VAL CA . 50203 1 173 . 1 . 1 63 63 VAL CB C 13 34.1 0.15 . 1 . . . . . 63 VAL CB . 50203 1 174 . 1 . 1 63 63 VAL N N 15 111.47 0.15 . 1 . . . . . 63 VAL N . 50203 1 175 . 1 . 1 64 64 GLU H H 1 9.132 0.02 . 1 . . . . . 64 GLU H . 50203 1 176 . 1 . 1 64 64 GLU CA C 13 54.3 0.15 . 1 . . . . . 64 GLU CA . 50203 1 177 . 1 . 1 64 64 GLU CB C 13 33.3 0.15 . 1 . . . . . 64 GLU CB . 50203 1 178 . 1 . 1 64 64 GLU N N 15 120.38 0.15 . 1 . . . . . 64 GLU N . 50203 1 179 . 1 . 1 65 65 ILE H H 1 8.377 0.02 . 1 . . . . . 65 ILE H . 50203 1 180 . 1 . 1 65 65 ILE CA C 13 57.3 0.15 . 1 . . . . . 65 ILE CA . 50203 1 181 . 1 . 1 65 65 ILE CB C 13 35.6 0.15 . 1 . . . . . 65 ILE CB . 50203 1 182 . 1 . 1 65 65 ILE N N 15 123.27 0.15 . 1 . . . . . 65 ILE N . 50203 1 183 . 1 . 1 66 66 VAL H H 1 8.748 0.02 . 1 . . . . . 66 VAL H . 50203 1 184 . 1 . 1 66 66 VAL CA C 13 60.5 0.15 . 1 . . . . . 66 VAL CA . 50203 1 185 . 1 . 1 66 66 VAL CB C 13 35.7 0.15 . 1 . . . . . 66 VAL CB . 50203 1 186 . 1 . 1 66 66 VAL N N 15 128.54 0.15 . 1 . . . . . 66 VAL N . 50203 1 187 . 1 . 1 67 67 LYS H H 1 8.833 0.02 . 1 . . . . . 67 LYS H . 50203 1 188 . 1 . 1 67 67 LYS CA C 13 55.2 0.15 . 1 . . . . . 67 LYS CA . 50203 1 189 . 1 . 1 67 67 LYS CB C 13 37.3 0.15 . 1 . . . . . 67 LYS CB . 50203 1 190 . 1 . 1 67 67 LYS N N 15 127.78 0.15 . 1 . . . . . 67 LYS N . 50203 1 191 . 1 . 1 70 70 LYS H H 1 7.873 0.02 . 1 . . . . . 70 LYS H . 50203 1 192 . 1 . 1 70 70 LYS CA C 13 54.8 0.15 . 1 . . . . . 70 LYS CA . 50203 1 193 . 1 . 1 70 70 LYS CB C 13 34.4 0.15 . 1 . . . . . 70 LYS CB . 50203 1 194 . 1 . 1 70 70 LYS N N 15 122 0.15 . 1 . . . . . 70 LYS N . 50203 1 195 . 1 . 1 71 71 ARG H H 1 8.613 0.02 . 1 . . . . . 71 ARG H . 50203 1 196 . 1 . 1 71 71 ARG CA C 13 56.7 0.15 . 1 . . . . . 71 ARG CA . 50203 1 197 . 1 . 1 71 71 ARG CB C 13 30 0.15 . 1 . . . . . 71 ARG CB . 50203 1 198 . 1 . 1 71 71 ARG N N 15 125.31 0.15 . 1 . . . . . 71 ARG N . 50203 1 199 . 1 . 1 72 72 LEU H H 1 9.31 0.02 . 1 . . . . . 72 LEU H . 50203 1 200 . 1 . 1 72 72 LEU CA C 13 56.16 0.15 . 1 . . . . . 72 LEU CA . 50203 1 201 . 1 . 1 72 72 LEU CB C 13 43.38 0.15 . 1 . . . . . 72 LEU CB . 50203 1 202 . 1 . 1 72 72 LEU N N 15 126.58 0.15 . 1 . . . . . 72 LEU N . 50203 1 203 . 1 . 1 73 73 ARG H H 1 7.218 0.02 . 1 . . . . . 73 ARG H . 50203 1 204 . 1 . 1 73 73 ARG CA C 13 55.4 0.15 . 1 . . . . . 73 ARG CA . 50203 1 205 . 1 . 1 73 73 ARG CB C 13 31.9 0.15 . 1 . . . . . 73 ARG CB . 50203 1 206 . 1 . 1 73 73 ARG N N 15 111.2 0.15 . 1 . . . . . 73 ARG N . 50203 1 207 . 1 . 1 74 74 THR H H 1 8.339 0.02 . 1 . . . . . 74 THR H . 50203 1 208 . 1 . 1 74 74 THR CA C 13 61.2 0.15 . 1 . . . . . 74 THR CA . 50203 1 209 . 1 . 1 74 74 THR CB C 13 70.9 0.15 . 1 . . . . . 74 THR CB . 50203 1 210 . 1 . 1 74 74 THR N N 15 116.03 0.15 . 1 . . . . . 74 THR N . 50203 1 211 . 1 . 1 75 75 LEU H H 1 8.676 0.02 . 1 . . . . . 75 LEU H . 50203 1 212 . 1 . 1 75 75 LEU CA C 13 53.2 0.15 . 1 . . . . . 75 LEU CA . 50203 1 213 . 1 . 1 75 75 LEU CB C 13 45.2 0.15 . 1 . . . . . 75 LEU CB . 50203 1 214 . 1 . 1 75 75 LEU N N 15 123.67 0.15 . 1 . . . . . 75 LEU N . 50203 1 215 . 1 . 1 76 76 GLY H H 1 9.161 0.02 . 1 . . . . . 76 GLY H . 50203 1 216 . 1 . 1 76 76 GLY CA C 13 43.9 0.15 . 1 . . . . . 76 GLY CA . 50203 1 217 . 1 . 1 76 76 GLY N N 15 109.29 0.15 . 1 . . . . . 76 GLY N . 50203 1 218 . 1 . 1 77 77 LYS H H 1 7.996 0.02 . 1 . . . . . 77 LYS H . 50203 1 219 . 1 . 1 77 77 LYS CA C 13 58.6 0.15 . 1 . . . . . 77 LYS CA . 50203 1 220 . 1 . 1 77 77 LYS CB C 13 32.8 0.15 . 1 . . . . . 77 LYS CB . 50203 1 221 . 1 . 1 77 77 LYS N N 15 118.45 0.15 . 1 . . . . . 77 LYS N . 50203 1 222 . 1 . 1 78 78 ASN H H 1 8.919 0.02 . 1 . . . . . 78 ASN H . 50203 1 223 . 1 . 1 78 78 ASN CA C 13 55.7 0.15 . 1 . . . . . 78 ASN CA . 50203 1 224 . 1 . 1 78 78 ASN CB C 13 37.2 0.15 . 1 . . . . . 78 ASN CB . 50203 1 225 . 1 . 1 78 78 ASN N N 15 116.63 0.15 . 1 . . . . . 78 ASN N . 50203 1 226 . 1 . 1 79 79 ASP H H 1 8.312 0.02 . 1 . . . . . 79 ASP H . 50203 1 227 . 1 . 1 79 79 ASP CA C 13 53.7 0.15 . 1 . . . . . 79 ASP CA . 50203 1 228 . 1 . 1 79 79 ASP CB C 13 43.6 0.15 . 1 . . . . . 79 ASP CB . 50203 1 229 . 1 . 1 79 79 ASP N N 15 119.04 0.15 . 1 . . . . . 79 ASP N . 50203 1 230 . 1 . 1 80 80 TYR H H 1 8.068 0.02 . 1 . . . . . 80 TYR H . 50203 1 231 . 1 . 1 80 80 TYR CA C 13 54.7 0.15 . 1 . . . . . 80 TYR CA . 50203 1 232 . 1 . 1 80 80 TYR CB C 13 43.2 0.15 . 1 . . . . . 80 TYR CB . 50203 1 233 . 1 . 1 80 80 TYR N N 15 114.55 0.15 . 1 . . . . . 80 TYR N . 50203 1 234 . 1 . 1 81 81 PHE H H 1 8.555 0.02 . 1 . . . . . 81 PHE H . 50203 1 235 . 1 . 1 81 81 PHE CA C 13 56.9 0.15 . 1 . . . . . 81 PHE CA . 50203 1 236 . 1 . 1 81 81 PHE CB C 13 40.7 0.15 . 1 . . . . . 81 PHE CB . 50203 1 237 . 1 . 1 81 81 PHE N N 15 110.57 0.15 . 1 . . . . . 81 PHE N . 50203 1 238 . 1 . 1 82 82 GLY H H 1 9.464 0.02 . 1 . . . . . 82 GLY H . 50203 1 239 . 1 . 1 82 82 GLY CA C 13 45 0.15 . 1 . . . . . 82 GLY CA . 50203 1 240 . 1 . 1 82 82 GLY N N 15 105.31 0.15 . 1 . . . . . 82 GLY N . 50203 1 241 . 1 . 1 85 85 ALA H H 1 8.703 0.02 . 1 . . . . . 85 ALA H . 50203 1 242 . 1 . 1 85 85 ALA CA C 13 55.43 0.15 . 1 . . . . . 85 ALA CA . 50203 1 243 . 1 . 1 85 85 ALA CB C 13 20.51 0.15 . 1 . . . . . 85 ALA CB . 50203 1 244 . 1 . 1 85 85 ALA N N 15 118.067 0.15 . 1 . . . . . 85 ALA N . 50203 1 245 . 1 . 1 86 86 LEU H H 1 6.454 0.02 . 1 . . . . . 86 LEU H . 50203 1 246 . 1 . 1 86 86 LEU CA C 13 56.5 0.15 . 1 . . . . . 86 LEU CA . 50203 1 247 . 1 . 1 86 86 LEU CB C 13 41.9 0.15 . 1 . . . . . 86 LEU CB . 50203 1 248 . 1 . 1 86 86 LEU N N 15 113.16 0.15 . 1 . . . . . 86 LEU N . 50203 1 249 . 1 . 1 87 87 LEU H H 1 7.868 0.02 . 1 . . . . . 87 LEU H . 50203 1 250 . 1 . 1 87 87 LEU CA C 13 56.87 0.15 . 1 . . . . . 87 LEU CA . 50203 1 251 . 1 . 1 87 87 LEU CB C 13 42.27 0.15 . 1 . . . . . 87 LEU CB . 50203 1 252 . 1 . 1 87 87 LEU N N 15 116.75 0.15 . 1 . . . . . 87 LEU N . 50203 1 253 . 1 . 1 88 88 TYR H H 1 7.372 0.02 . 1 . . . . . 88 TYR H . 50203 1 254 . 1 . 1 88 88 TYR CA C 13 56.1 0.15 . 1 . . . . . 88 TYR CA . 50203 1 255 . 1 . 1 88 88 TYR CB C 13 38.1 0.15 . 1 . . . . . 88 TYR CB . 50203 1 256 . 1 . 1 88 88 TYR N N 15 113.11 0.15 . 1 . . . . . 88 TYR N . 50203 1 257 . 1 . 1 92 92 ARG H H 1 9.144 0.02 . 1 . . . . . 92 ARG H . 50203 1 258 . 1 . 1 92 92 ARG CA C 13 56.1 0.15 . 1 . . . . . 92 ARG CA . 50203 1 259 . 1 . 1 92 92 ARG CB C 13 33.36 0.15 . 1 . . . . . 92 ARG CB . 50203 1 260 . 1 . 1 92 92 ARG N N 15 115.93 0.15 . 1 . . . . . 92 ARG N . 50203 1 261 . 1 . 1 93 93 THR H H 1 9.528 0.02 . 1 . . . . . 93 THR H . 50203 1 262 . 1 . 1 93 93 THR CA C 13 63.56 0.15 . 1 . . . . . 93 THR CA . 50203 1 263 . 1 . 1 93 93 THR CB C 13 70.9 0.15 . 1 . . . . . 93 THR CB . 50203 1 264 . 1 . 1 93 93 THR N N 15 117.16 0.15 . 1 . . . . . 93 THR N . 50203 1 265 . 1 . 1 94 94 ALA H H 1 7.681 0.02 . 1 . . . . . 94 ALA H . 50203 1 266 . 1 . 1 94 94 ALA CA C 13 51.4 0.15 . 1 . . . . . 94 ALA CA . 50203 1 267 . 1 . 1 94 94 ALA CB C 13 20.9 0.15 . 1 . . . . . 94 ALA CB . 50203 1 268 . 1 . 1 94 94 ALA N N 15 118.75 0.15 . 1 . . . . . 94 ALA N . 50203 1 269 . 1 . 1 95 95 SER H H 1 9.2 0.02 . 1 . . . . . 95 SER H . 50203 1 270 . 1 . 1 95 95 SER CA C 13 57.8 0.15 . 1 . . . . . 95 SER CA . 50203 1 271 . 1 . 1 95 95 SER CB C 13 64.5 0.15 . 1 . . . . . 95 SER CB . 50203 1 272 . 1 . 1 95 95 SER N N 15 113.8 0.15 . 1 . . . . . 95 SER N . 50203 1 273 . 1 . 1 96 96 VAL H H 1 8.771 0.02 . 1 . . . . . 96 VAL H . 50203 1 274 . 1 . 1 96 96 VAL CA C 13 61.3 0.15 . 1 . . . . . 96 VAL CA . 50203 1 275 . 1 . 1 96 96 VAL CB C 13 33 0.15 . 1 . . . . . 96 VAL CB . 50203 1 276 . 1 . 1 96 96 VAL N N 15 122.09 0.15 . 1 . . . . . 96 VAL N . 50203 1 277 . 1 . 1 97 97 ILE H H 1 8.882 0.02 . 1 . . . . . 97 ILE H . 50203 1 278 . 1 . 1 97 97 ILE CA C 13 59.49 0.1 . 1 . . . . . 97 ILE CA . 50203 1 279 . 1 . 1 97 97 ILE CB C 13 41.72 0.3 . 1 . . . . . 97 ILE CB . 50203 1 280 . 1 . 1 97 97 ILE N N 15 127.93 0.15 . 1 . . . . . 97 ILE N . 50203 1 281 . 1 . 1 98 98 SER H H 1 8.841 0.02 . 1 . . . . . 98 SER H . 50203 1 282 . 1 . 1 98 98 SER CA C 13 59.4 0.15 . 1 . . . . . 98 SER CA . 50203 1 283 . 1 . 1 98 98 SER CB C 13 63.2 0.15 . 1 . . . . . 98 SER CB . 50203 1 284 . 1 . 1 98 98 SER N N 15 120.36 0.15 . 1 . . . . . 98 SER N . 50203 1 285 . 1 . 1 99 99 LYS H H 1 8.482 0.02 . 1 . . . . . 99 LYS H . 50203 1 286 . 1 . 1 99 99 LYS CA C 13 57.2 0.15 . 1 . . . . . 99 LYS CA . 50203 1 287 . 1 . 1 99 99 LYS CB C 13 34.8 0.15 . 1 . . . . . 99 LYS CB . 50203 1 288 . 1 . 1 99 99 LYS N N 15 129.79 0.15 . 1 . . . . . 99 LYS N . 50203 1 289 . 1 . 1 100 100 VAL H H 1 7.188 0.02 . 1 . . . . . 100 VAL H . 50203 1 290 . 1 . 1 100 100 VAL CA C 13 58.2 0.15 . 1 . . . . . 100 VAL CA . 50203 1 291 . 1 . 1 100 100 VAL CB C 13 36.4 0.15 . 1 . . . . . 100 VAL CB . 50203 1 292 . 1 . 1 100 100 VAL N N 15 107.83 0.15 . 1 . . . . . 100 VAL N . 50203 1 293 . 1 . 1 101 101 ASN H H 1 8.273 0.02 . 1 . . . . . 101 ASN H . 50203 1 294 . 1 . 1 101 101 ASN CA C 13 53.4 0.15 . 1 . . . . . 101 ASN CA . 50203 1 295 . 1 . 1 101 101 ASN CB C 13 39 0.15 . 1 . . . . . 101 ASN CB . 50203 1 296 . 1 . 1 101 101 ASN N N 15 115.75 0.15 . 1 . . . . . 101 ASN N . 50203 1 297 . 1 . 1 102 102 ASN H H 1 8.738 0.02 . 1 . . . . . 102 ASN H . 50203 1 298 . 1 . 1 102 102 ASN CA C 13 54.2 0.15 . 1 . . . . . 102 ASN CA . 50203 1 299 . 1 . 1 102 102 ASN CB C 13 37.2 0.15 . 1 . . . . . 102 ASN CB . 50203 1 300 . 1 . 1 102 102 ASN N N 15 115.49 0.15 . 1 . . . . . 102 ASN N . 50203 1 301 . 1 . 1 103 103 VAL H H 1 7.845 0.02 . 1 . . . . . 103 VAL H . 50203 1 302 . 1 . 1 103 103 VAL CA C 13 63.6 0.15 . 1 . . . . . 103 VAL CA . 50203 1 303 . 1 . 1 103 103 VAL CB C 13 32.5 0.15 . 1 . . . . . 103 VAL CB . 50203 1 304 . 1 . 1 103 103 VAL N N 15 120.66 0.15 . 1 . . . . . 103 VAL N . 50203 1 305 . 1 . 1 104 104 GLU H H 1 8.547 0.02 . 1 . . . . . 104 GLU H . 50203 1 306 . 1 . 1 104 104 GLU CA C 13 54.6 0.15 . 1 . . . . . 104 GLU CA . 50203 1 307 . 1 . 1 104 104 GLU CB C 13 34.1 0.15 . 1 . . . . . 104 GLU CB . 50203 1 308 . 1 . 1 104 104 GLU N N 15 126.94 0.15 . 1 . . . . . 104 GLU N . 50203 1 309 . 1 . 1 105 105 CYS H H 1 9.101 0.02 . 1 . . . . . 105 CYS H . 50203 1 310 . 1 . 1 105 105 CYS CA C 13 57.5 0.15 . 1 . . . . . 105 CYS CA . 50203 1 311 . 1 . 1 105 105 CYS CB C 13 32.4 0.15 . 1 . . . . . 105 CYS CB . 50203 1 312 . 1 . 1 105 105 CYS N N 15 120.85 0.15 . 1 . . . . . 105 CYS N . 50203 1 313 . 1 . 1 106 106 TRP H H 1 9.225 0.02 . 1 . . . . . 106 TRP H . 50203 1 314 . 1 . 1 106 106 TRP CA C 13 55.1 0.15 . 1 . . . . . 106 TRP CA . 50203 1 315 . 1 . 1 106 106 TRP CB C 13 31.4 0.15 . 1 . . . . . 106 TRP CB . 50203 1 316 . 1 . 1 106 106 TRP N N 15 122.79 0.15 . 1 . . . . . 106 TRP N . 50203 1 317 . 1 . 1 107 107 PHE H H 1 9.121 0.02 . 1 . . . . . 107 PHE H . 50203 1 318 . 1 . 1 107 107 PHE CA C 13 55.4 0.15 . 1 . . . . . 107 PHE CA . 50203 1 319 . 1 . 1 107 107 PHE CB C 13 43.3 0.15 . 1 . . . . . 107 PHE CB . 50203 1 320 . 1 . 1 107 107 PHE N N 15 117.31 0.15 . 1 . . . . . 107 PHE N . 50203 1 321 . 1 . 1 108 108 VAL H H 1 8.61 0.02 . 1 . . . . . 108 VAL H . 50203 1 322 . 1 . 1 108 108 VAL CA C 13 59 0.15 . 1 . . . . . 108 VAL CA . 50203 1 323 . 1 . 1 108 108 VAL CB C 13 35.9 0.15 . 1 . . . . . 108 VAL CB . 50203 1 324 . 1 . 1 108 108 VAL N N 15 111.29 0.15 . 1 . . . . . 108 VAL N . 50203 1 325 . 1 . 1 109 109 ASP H H 1 8.8 0.02 . 1 . . . . . 109 ASP H . 50203 1 326 . 1 . 1 109 109 ASP CA C 13 54.5 0.15 . 1 . . . . . 109 ASP CA . 50203 1 327 . 1 . 1 109 109 ASP CB C 13 43.6 0.15 . 1 . . . . . 109 ASP CB . 50203 1 328 . 1 . 1 109 109 ASP N N 15 122.32 0.15 . 1 . . . . . 109 ASP N . 50203 1 329 . 1 . 1 110 110 LYS H H 1 8.067 0.02 . 1 . . . . . 110 LYS H . 50203 1 330 . 1 . 1 110 110 LYS CA C 13 60.4 0.15 . 1 . . . . . 110 LYS CA . 50203 1 331 . 1 . 1 110 110 LYS CB C 13 33.9 0.15 . 1 . . . . . 110 LYS CB . 50203 1 332 . 1 . 1 110 110 LYS N N 15 122.12 0.15 . 1 . . . . . 110 LYS N . 50203 1 333 . 1 . 1 111 111 SER H H 1 8.646 0.02 . 1 . . . . . 111 SER H . 50203 1 334 . 1 . 1 111 111 SER CA C 13 61.6 0.15 . 1 . . . . . 111 SER CA . 50203 1 335 . 1 . 1 111 111 SER CB C 13 62.2 0.15 . 1 . . . . . 111 SER CB . 50203 1 336 . 1 . 1 111 111 SER N N 15 113.06 0.15 . 1 . . . . . 111 SER N . 50203 1 337 . 1 . 1 112 112 VAL H H 1 7.271 0.02 . 1 . . . . . 112 VAL H . 50203 1 338 . 1 . 1 112 112 VAL CA C 13 65.7 0.15 . 1 . . . . . 112 VAL CA . 50203 1 339 . 1 . 1 112 112 VAL CB C 13 32.2 0.15 . 1 . . . . . 112 VAL CB . 50203 1 340 . 1 . 1 112 112 VAL N N 15 122.8 0.15 . 1 . . . . . 112 VAL N . 50203 1 341 . 1 . 1 113 113 PHE H H 1 8.033 0.02 . 1 . . . . . 113 PHE H . 50203 1 342 . 1 . 1 113 113 PHE CA C 13 61.7 0.15 . 1 . . . . . 113 PHE CA . 50203 1 343 . 1 . 1 113 113 PHE CB C 13 39.8 0.15 . 1 . . . . . 113 PHE CB . 50203 1 344 . 1 . 1 113 113 PHE N N 15 120.46 0.15 . 1 . . . . . 113 PHE N . 50203 1 345 . 1 . 1 114 114 LEU H H 1 8.463 0.02 . 1 . . . . . 114 LEU H . 50203 1 346 . 1 . 1 114 114 LEU CA C 13 57 0.15 . 1 . . . . . 114 LEU CA . 50203 1 347 . 1 . 1 114 114 LEU CB C 13 41.3 0.15 . 1 . . . . . 114 LEU CB . 50203 1 348 . 1 . 1 114 114 LEU N N 15 113.48 0.15 . 1 . . . . . 114 LEU N . 50203 1 349 . 1 . 1 115 115 GLN H H 1 7.256 0.02 . 1 . . . . . 115 GLN H . 50203 1 350 . 1 . 1 115 115 GLN CA C 13 58.1 0.15 . 1 . . . . . 115 GLN CA . 50203 1 351 . 1 . 1 115 115 GLN CB C 13 29.9 0.15 . 1 . . . . . 115 GLN CB . 50203 1 352 . 1 . 1 115 115 GLN N N 15 115.03 0.15 . 1 . . . . . 115 GLN N . 50203 1 353 . 1 . 1 116 116 ILE H H 1 7.419 0.02 . 1 . . . . . 116 ILE H . 50203 1 354 . 1 . 1 116 116 ILE CA C 13 63.02 0.15 . 1 . . . . . 116 ILE CA . 50203 1 355 . 1 . 1 116 116 ILE CB C 13 37.6 0.15 . 1 . . . . . 116 ILE CB . 50203 1 356 . 1 . 1 116 116 ILE N N 15 112.37 0.15 . 1 . . . . . 116 ILE N . 50203 1 357 . 1 . 1 117 117 ILE H H 1 6.757 0.02 . 1 . . . . . 117 ILE H . 50203 1 358 . 1 . 1 117 117 ILE CA C 13 61.4 0.15 . 1 . . . . . 117 ILE CA . 50203 1 359 . 1 . 1 117 117 ILE CB C 13 37.5 0.15 . 1 . . . . . 117 ILE CB . 50203 1 360 . 1 . 1 117 117 ILE N N 15 112.37 0.15 . 1 . . . . . 117 ILE N . 50203 1 361 . 1 . 1 118 118 GLN H H 1 6.668 0.02 . 1 . . . . . 118 GLN H . 50203 1 362 . 1 . 1 118 118 GLN CA C 13 55.5 0.15 . 1 . . . . . 118 GLN CA . 50203 1 363 . 1 . 1 118 118 GLN CB C 13 28.3 0.15 . 1 . . . . . 118 GLN CB . 50203 1 364 . 1 . 1 118 118 GLN N N 15 118.89 0.15 . 1 . . . . . 118 GLN N . 50203 1 365 . 1 . 1 119 119 GLY H H 1 8.37 0.02 . 1 . . . . . 119 GLY H . 50203 1 366 . 1 . 1 119 119 GLY CA C 13 44.9 0.15 . 1 . . . . . 119 GLY CA . 50203 1 367 . 1 . 1 119 119 GLY N N 15 112.91 0.15 . 1 . . . . . 119 GLY N . 50203 1 368 . 1 . 1 121 121 MET H H 1 8.434 0.02 . 1 . . . . . 121 MET H . 50203 1 369 . 1 . 1 121 121 MET CA C 13 59.2 0.15 . 1 . . . . . 121 MET CA . 50203 1 370 . 1 . 1 121 121 MET CB C 13 32.6 0.15 . 1 . . . . . 121 MET CB . 50203 1 371 . 1 . 1 121 121 MET N N 15 117.42 0.15 . 1 . . . . . 121 MET N . 50203 1 372 . 1 . 1 122 122 LEU H H 1 7.482 0.02 . 1 . . . . . 122 LEU H . 50203 1 373 . 1 . 1 122 122 LEU CA C 13 59.2 0.15 . 1 . . . . . 122 LEU CA . 50203 1 374 . 1 . 1 122 122 LEU CB C 13 41 0.15 . 1 . . . . . 122 LEU CB . 50203 1 375 . 1 . 1 122 122 LEU N N 15 119.45 0.15 . 1 . . . . . 122 LEU N . 50203 1 376 . 1 . 1 123 123 ALA H H 1 7.558 0.02 . 1 . . . . . 123 ALA H . 50203 1 377 . 1 . 1 123 123 ALA CA C 13 54.9 0.15 . 1 . . . . . 123 ALA CA . 50203 1 378 . 1 . 1 123 123 ALA CB C 13 17.8 0.15 . 1 . . . . . 123 ALA CB . 50203 1 379 . 1 . 1 123 123 ALA N N 15 119.34 0.15 . 1 . . . . . 123 ALA N . 50203 1 380 . 1 . 1 124 124 HIS H H 1 7.573 0.02 . 1 . . . . . 124 HIS H . 50203 1 381 . 1 . 1 124 124 HIS CA C 13 59.5 0.15 . 1 . . . . . 124 HIS CA . 50203 1 382 . 1 . 1 124 124 HIS CB C 13 30 0.15 . 1 . . . . . 124 HIS CB . 50203 1 383 . 1 . 1 124 124 HIS N N 15 117.59 0.15 . 1 . . . . . 124 HIS N . 50203 1 384 . 1 . 1 125 125 LEU H H 1 8.461 0.02 . 1 . . . . . 125 LEU H . 50203 1 385 . 1 . 1 125 125 LEU CA C 13 57.8 0.15 . 1 . . . . . 125 LEU CA . 50203 1 386 . 1 . 1 125 125 LEU CB C 13 41.9 0.15 . 1 . . . . . 125 LEU CB . 50203 1 387 . 1 . 1 125 125 LEU N N 15 119.47 0.15 . 1 . . . . . 125 LEU N . 50203 1 388 . 1 . 1 126 126 GLU H H 1 8.624 0.02 . 1 . . . . . 126 GLU H . 50203 1 389 . 1 . 1 126 126 GLU CA C 13 60.6 0.15 . 1 . . . . . 126 GLU CA . 50203 1 390 . 1 . 1 126 126 GLU CB C 13 29.445 0.15 . 1 . . . . . 126 GLU CB . 50203 1 391 . 1 . 1 126 126 GLU N N 15 118.46 0.15 . 1 . . . . . 126 GLU N . 50203 1 392 . 1 . 1 127 127 GLU H H 1 8.199 0.02 . 1 . . . . . 127 GLU H . 50203 1 393 . 1 . 1 127 127 GLU CA C 13 59.48 0.15 . 1 . . . . . 127 GLU CA . 50203 1 394 . 1 . 1 127 127 GLU CB C 13 29.39 0.15 . 1 . . . . . 127 GLU CB . 50203 1 395 . 1 . 1 127 127 GLU N N 15 121.52 0.15 . 1 . . . . . 127 GLU N . 50203 1 396 . 1 . 1 128 128 ARG H H 1 7.61 0.02 . 1 . . . . . 128 ARG H . 50203 1 397 . 1 . 1 128 128 ARG CA C 13 59.1 0.15 . 1 . . . . . 128 ARG CA . 50203 1 398 . 1 . 1 128 128 ARG CB C 13 29.37 0.15 . 1 . . . . . 128 ARG CB . 50203 1 399 . 1 . 1 128 128 ARG N N 15 119.53 0.15 . 1 . . . . . 128 ARG N . 50203 1 400 . 1 . 1 129 129 ILE H H 1 7.62 0.02 . 1 . . . . . 129 ILE H . 50203 1 401 . 1 . 1 129 129 ILE CA C 13 65.55 0.15 . 1 . . . . . 129 ILE CA . 50203 1 402 . 1 . 1 129 129 ILE CB C 13 38.4 0.15 . 1 . . . . . 129 ILE CB . 50203 1 403 . 1 . 1 129 129 ILE N N 15 121.16 0.15 . 1 . . . . . 129 ILE N . 50203 1 404 . 1 . 1 130 130 LYS H H 1 7.821 0.02 . 1 . . . . . 130 LYS H . 50203 1 405 . 1 . 1 130 130 LYS CA C 13 59.59 0.15 . 1 . . . . . 130 LYS CA . 50203 1 406 . 1 . 1 130 130 LYS CB C 13 31.864 0.15 . 1 . . . . . 130 LYS CB . 50203 1 407 . 1 . 1 130 130 LYS N N 15 118.36 0.15 . 1 . . . . . 130 LYS N . 50203 1 408 . 1 . 1 131 131 MET H H 1 7.952 0.02 . 1 . . . . . 131 MET H . 50203 1 409 . 1 . 1 131 131 MET CA C 13 58.53 0.15 . 1 . . . . . 131 MET CA . 50203 1 410 . 1 . 1 131 131 MET CB C 13 32.35 0.15 . 1 . . . . . 131 MET CB . 50203 1 411 . 1 . 1 131 131 MET N N 15 119.06 0.15 . 1 . . . . . 131 MET N . 50203 1 412 . 1 . 1 132 132 GLN H H 1 8.316 0.02 . 1 . . . . . 132 GLN H . 50203 1 413 . 1 . 1 132 132 GLN CA C 13 58.54 0.15 . 1 . . . . . 132 GLN CA . 50203 1 414 . 1 . 1 132 132 GLN CB C 13 27.66 0.15 . 1 . . . . . 132 GLN CB . 50203 1 415 . 1 . 1 132 132 GLN N N 15 120.09 0.15 . 1 . . . . . 132 GLN N . 50203 1 416 . 1 . 1 133 133 ASP H H 1 8.211 0.02 . 1 . . . . . 133 ASP H . 50203 1 417 . 1 . 1 133 133 ASP CA C 13 55.9 0.15 . 1 . . . . . 133 ASP CA . 50203 1 418 . 1 . 1 133 133 ASP CB C 13 40.121 0.15 . 1 . . . . . 133 ASP CB . 50203 1 419 . 1 . 1 133 133 ASP N N 15 118.48 0.15 . 1 . . . . . 133 ASP N . 50203 1 420 . 1 . 1 134 134 THR H H 1 7.696 0.02 . 1 . . . . . 134 THR H . 50203 1 421 . 1 . 1 134 134 THR CA C 13 63.62 0.15 . 1 . . . . . 134 THR CA . 50203 1 422 . 1 . 1 134 134 THR CB C 13 69.99 0.15 . 1 . . . . . 134 THR CB . 50203 1 423 . 1 . 1 134 134 THR N N 15 113.36 0.15 . 1 . . . . . 134 THR N . 50203 1 424 . 1 . 1 135 135 LYS H H 1 7.977 0.02 . 1 . . . . . 135 LYS H . 50203 1 425 . 1 . 1 135 135 LYS CA C 13 56.6 0.15 . 1 . . . . . 135 LYS CA . 50203 1 426 . 1 . 1 135 135 LYS CB C 13 32.6 0.15 . 1 . . . . . 135 LYS CB . 50203 1 427 . 1 . 1 135 135 LYS N N 15 123.735 0.15 . 1 . . . . . 135 LYS N . 50203 1 428 . 1 . 1 136 136 VAL H H 1 8.107 0.02 . 1 . . . . . 136 VAL H . 50203 1 429 . 1 . 1 136 136 VAL CA C 13 62.73 0.15 . 1 . . . . . 136 VAL CA . 50203 1 430 . 1 . 1 136 136 VAL CB C 13 32.88 0.15 . 1 . . . . . 136 VAL CB . 50203 1 431 . 1 . 1 136 136 VAL N N 15 121.62 0.15 . 1 . . . . . 136 VAL N . 50203 1 432 . 1 . 1 139 139 ASP H H 1 8.328 0.02 . 1 . . . . . 139 ASP H . 50203 1 433 . 1 . 1 139 139 ASP CA C 13 54.7 0.15 . 1 . . . . . 139 ASP CA . 50203 1 434 . 1 . 1 139 139 ASP CB C 13 41.3 0.15 . 1 . . . . . 139 ASP CB . 50203 1 435 . 1 . 1 139 139 ASP N N 15 121.5 0.15 . 1 . . . . . 139 ASP N . 50203 1 436 . 1 . 1 140 140 GLU H H 1 8.276 0.02 . 1 . . . . . 140 GLU H . 50203 1 437 . 1 . 1 140 140 GLU CA C 13 56.4 0.15 . 1 . . . . . 140 GLU CA . 50203 1 438 . 1 . 1 140 140 GLU CB C 13 30.4 0.15 . 1 . . . . . 140 GLU CB . 50203 1 439 . 1 . 1 140 140 GLU N N 15 120.7 0.15 . 1 . . . . . 140 GLU N . 50203 1 440 . 1 . 1 141 141 LEU H H 1 8.174 0.02 . 1 . . . . . 141 LEU H . 50203 1 441 . 1 . 1 141 141 LEU CA C 13 55.2 0.15 . 1 . . . . . 141 LEU CA . 50203 1 442 . 1 . 1 141 141 LEU CB C 13 42.5 0.15 . 1 . . . . . 141 LEU CB . 50203 1 443 . 1 . 1 141 141 LEU N N 15 123.22 0.15 . 1 . . . . . 141 LEU N . 50203 1 444 . 1 . 1 142 142 GLU H H 1 7.838 0.02 . 1 . . . . . 142 GLU H . 50203 1 445 . 1 . 1 142 142 GLU CA C 13 58.007 0.15 . 1 . . . . . 142 GLU CA . 50203 1 446 . 1 . 1 142 142 GLU CB C 13 31.238 0.15 . 1 . . . . . 142 GLU CB . 50203 1 447 . 1 . 1 142 142 GLU N N 15 126.34 0.15 . 1 . . . . . 142 GLU N . 50203 1 stop_ save_