################################### # 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 52112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_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' . . . 52112 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 3 $software_3 . . 52112 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 3 3 MET H H 1 8.522 0.000 . 1 . . . . . 1 MET H . 52112 1 2 . 1 . 1 3 3 MET N N 15 118.789 0.000 . 1 . . . . . 1 MET N . 52112 1 3 . 1 . 1 4 4 CYS H H 1 8.285 0.000 . 1 . . . . . 2 CYS H . 52112 1 4 . 1 . 1 4 4 CYS N N 15 120.576 0.000 . 1 . . . . . 2 CYS N . 52112 1 5 . 1 . 1 5 5 ALA H H 1 8.618 0.000 . 1 . . . . . 3 ALA H . 52112 1 6 . 1 . 1 5 5 ALA N N 15 127.590 0.000 . 1 . . . . . 3 ALA N . 52112 1 7 . 1 . 1 6 6 SER H H 1 8.326 0.000 . 1 . . . . . 4 SER H . 52112 1 8 . 1 . 1 6 6 SER N N 15 114.451 0.000 . 1 . . . . . 4 SER N . 52112 1 9 . 1 . 1 7 7 ARG H H 1 8.177 0.000 . 1 . . . . . 5 ARG H . 52112 1 10 . 1 . 1 7 7 ARG N N 15 121.784 0.000 . 1 . . . . . 5 ARG N . 52112 1 11 . 1 . 1 8 8 ASP H H 1 8.284 0.000 . 1 . . . . . 6 ASP H . 52112 1 12 . 1 . 1 8 8 ASP N N 15 119.661 0.000 . 1 . . . . . 6 ASP N . 52112 1 13 . 1 . 1 9 9 ASP H H 1 8.037 0.000 . 1 . . . . . 7 ASP H . 52112 1 14 . 1 . 1 9 9 ASP N N 15 120.698 0.000 . 1 . . . . . 7 ASP N . 52112 1 15 . 1 . 1 10 10 TRP H H 1 7.694 0.000 . 1 . . . . . 8 TRP H . 52112 1 16 . 1 . 1 10 10 TRP HE1 H 1 10.356 0.000 . 1 . . . . . 8 TRP HE1 . 52112 1 17 . 1 . 1 10 10 TRP N N 15 122.606 0.000 . 1 . . . . . 8 TRP N . 52112 1 18 . 1 . 1 10 10 TRP NE1 N 15 130.392 0.000 . 1 . . . . . 8 TRP NE1 . 52112 1 19 . 1 . 1 11 11 ARG H H 1 6.969 0.000 . 1 . . . . . 9 ARG H . 52112 1 20 . 1 . 1 11 11 ARG N N 15 119.339 0.000 . 1 . . . . . 9 ARG N . 52112 1 21 . 1 . 1 12 12 CYS H H 1 7.558 0.000 . 1 . . . . . 10 CYS H . 52112 1 22 . 1 . 1 12 12 CYS N N 15 113.590 0.000 . 1 . . . . . 10 CYS N . 52112 1 23 . 1 . 1 13 13 ALA H H 1 7.315 0.000 . 1 . . . . . 11 ALA H . 52112 1 24 . 1 . 1 13 13 ALA N N 15 123.578 0.000 . 1 . . . . . 11 ALA N . 52112 1 25 . 1 . 1 14 14 ARG H H 1 9.345 0.000 . 1 . . . . . 12 ARG H . 52112 1 26 . 1 . 1 14 14 ARG N N 15 120.973 0.000 . 1 . . . . . 12 ARG N . 52112 1 27 . 1 . 1 15 15 SER H H 1 7.017 0.000 . 1 . . . . . 13 SER H . 52112 1 28 . 1 . 1 15 15 SER N N 15 112.227 0.000 . 1 . . . . . 13 SER N . 52112 1 29 . 1 . 1 16 16 MET H H 1 9.411 0.000 . 1 . . . . . 14 MET H . 52112 1 30 . 1 . 1 16 16 MET N N 15 126.146 0.000 . 1 . . . . . 14 MET N . 52112 1 31 . 1 . 1 17 17 HIS H H 1 7.606 0.000 . 1 . . . . . 15 HIS H . 52112 1 32 . 1 . 1 17 17 HIS N N 15 113.295 0.000 . 1 . . . . . 15 HIS N . 52112 1 33 . 1 . 1 18 18 GLU H H 1 7.018 0.000 . 1 . . . . . 16 GLU H . 52112 1 34 . 1 . 1 18 18 GLU N N 15 115.518 0.000 . 1 . . . . . 16 GLU N . 52112 1 35 . 1 . 1 19 19 PHE H H 1 7.573 0.000 . 1 . . . . . 17 PHE H . 52112 1 36 . 1 . 1 19 19 PHE N N 15 117.124 0.000 . 1 . . . . . 17 PHE N . 52112 1 37 . 1 . 1 20 20 SER H H 1 8.910 0.000 . 1 . . . . . 18 SER H . 52112 1 38 . 1 . 1 20 20 SER N N 15 114.633 0.000 . 1 . . . . . 18 SER N . 52112 1 39 . 1 . 1 21 21 ALA H H 1 9.287 0.000 . 1 . . . . . 19 ALA H . 52112 1 40 . 1 . 1 21 21 ALA N N 15 121.450 0.000 . 1 . . . . . 19 ALA N . 52112 1 41 . 1 . 1 22 22 LYS H H 1 9.106 0.000 . 1 . . . . . 20 LYS H . 52112 1 42 . 1 . 1 22 22 LYS N N 15 121.967 0.000 . 1 . . . . . 20 LYS N . 52112 1 43 . 1 . 1 23 23 ASP H H 1 9.848 0.000 . 1 . . . . . 21 ASP H . 52112 1 44 . 1 . 1 23 23 ASP N N 15 128.249 0.000 . 1 . . . . . 21 ASP N . 52112 1 45 . 1 . 1 24 24 ILE H H 1 7.598 0.000 . 1 . . . . . 22 ILE H . 52112 1 46 . 1 . 1 24 24 ILE N N 15 120.981 0.000 . 1 . . . . . 22 ILE N . 52112 1 47 . 1 . 1 25 25 ASP H H 1 7.579 0.000 . 1 . . . . . 23 ASP H . 52112 1 48 . 1 . 1 25 25 ASP N N 15 120.111 0.000 . 1 . . . . . 23 ASP N . 52112 1 49 . 1 . 1 26 26 GLY H H 1 8.134 0.000 . 1 . . . . . 24 GLY H . 52112 1 50 . 1 . 1 26 26 GLY N N 15 107.831 0.000 . 1 . . . . . 24 GLY N . 52112 1 51 . 1 . 1 27 27 HIS H H 1 8.516 0.000 . 1 . . . . . 25 HIS H . 52112 1 52 . 1 . 1 27 27 HIS N N 15 121.625 0.000 . 1 . . . . . 25 HIS N . 52112 1 53 . 1 . 1 28 28 MET H H 1 9.100 0.000 . 1 . . . . . 26 MET H . 52112 1 54 . 1 . 1 28 28 MET N N 15 125.045 0.000 . 1 . . . . . 26 MET N . 52112 1 55 . 1 . 1 29 29 VAL H H 1 9.105 0.000 . 1 . . . . . 27 VAL H . 52112 1 56 . 1 . 1 29 29 VAL N N 15 129.382 0.000 . 1 . . . . . 27 VAL N . 52112 1 57 . 1 . 1 30 30 ASN H H 1 8.715 0.000 . 1 . . . . . 28 ASN H . 52112 1 58 . 1 . 1 30 30 ASN N N 15 125.872 0.000 . 1 . . . . . 28 ASN N . 52112 1 59 . 1 . 1 31 31 LEU H H 1 9.052 0.000 . 1 . . . . . 29 LEU H . 52112 1 60 . 1 . 1 31 31 LEU N N 15 123.755 0.000 . 1 . . . . . 29 LEU N . 52112 1 61 . 1 . 1 32 32 ASP H H 1 8.510 0.000 . 1 . . . . . 30 ASP H . 52112 1 62 . 1 . 1 32 32 ASP N N 15 121.242 0.000 . 1 . . . . . 30 ASP N . 52112 1 63 . 1 . 1 33 33 LYS H H 1 7.799 0.000 . 1 . . . . . 31 LYS H . 52112 1 64 . 1 . 1 33 33 LYS N N 15 120.612 0.000 . 1 . . . . . 31 LYS N . 52112 1 65 . 1 . 1 34 34 TYR H H 1 7.651 0.000 . 1 . . . . . 32 TYR H . 52112 1 66 . 1 . 1 34 34 TYR N N 15 118.092 0.000 . 1 . . . . . 32 TYR N . 52112 1 67 . 1 . 1 35 35 ARG H H 1 7.224 0.000 . 1 . . . . . 33 ARG H . 52112 1 68 . 1 . 1 35 35 ARG N N 15 123.684 0.000 . 1 . . . . . 33 ARG N . 52112 1 69 . 1 . 1 36 36 GLY H H 1 8.744 0.000 . 1 . . . . . 34 GLY H . 52112 1 70 . 1 . 1 36 36 GLY N N 15 113.384 0.000 . 1 . . . . . 34 GLY N . 52112 1 71 . 1 . 1 37 37 PHE H H 1 8.339 0.000 . 1 . . . . . 35 PHE H . 52112 1 72 . 1 . 1 37 37 PHE N N 15 119.659 0.000 . 1 . . . . . 35 PHE N . 52112 1 73 . 1 . 1 38 38 VAL H H 1 8.194 0.000 . 1 . . . . . 36 VAL H . 52112 1 74 . 1 . 1 38 38 VAL N N 15 122.578 0.000 . 1 . . . . . 36 VAL N . 52112 1 75 . 1 . 1 39 39 CYS H H 1 9.006 0.000 . 1 . . . . . 37 CYS H . 52112 1 76 . 1 . 1 39 39 CYS N N 15 121.203 0.000 . 1 . . . . . 37 CYS N . 52112 1 77 . 1 . 1 40 40 ILE H H 1 8.446 0.000 . 1 . . . . . 38 ILE H . 52112 1 78 . 1 . 1 40 40 ILE N N 15 121.802 0.000 . 1 . . . . . 38 ILE N . 52112 1 79 . 1 . 1 41 41 VAL H H 1 9.320 0.000 . 1 . . . . . 39 VAL H . 52112 1 80 . 1 . 1 41 41 VAL N N 15 128.197 0.000 . 1 . . . . . 39 VAL N . 52112 1 81 . 1 . 1 42 42 THR H H 1 9.055 0.000 . 1 . . . . . 40 THR H . 52112 1 82 . 1 . 1 42 42 THR N N 15 120.844 0.000 . 1 . . . . . 40 THR N . 52112 1 83 . 1 . 1 43 43 ASN H H 1 8.850 0.000 . 1 . . . . . 41 ASN H . 52112 1 84 . 1 . 1 43 43 ASN N N 15 125.939 0.000 . 1 . . . . . 41 ASN N . 52112 1 85 . 1 . 1 44 44 VAL H H 1 8.144 0.000 . 1 . . . . . 42 VAL H . 52112 1 86 . 1 . 1 44 44 VAL N N 15 113.366 0.000 . 1 . . . . . 42 VAL N . 52112 1 87 . 1 . 1 45 45 ALA H H 1 6.364 0.000 . 1 . . . . . 43 ALA H . 52112 1 88 . 1 . 1 45 45 ALA N N 15 119.637 0.000 . 1 . . . . . 43 ALA N . 52112 1 89 . 1 . 1 46 46 SER H H 1 7.956 0.000 . 1 . . . . . 44 SER H . 52112 1 90 . 1 . 1 46 46 SER N N 15 119.015 0.000 . 1 . . . . . 44 SER N . 52112 1 91 . 1 . 1 47 47 GLN H H 1 8.398 0.000 . 1 . . . . . 45 GLN H . 52112 1 92 . 1 . 1 47 47 GLN N N 15 118.955 0.000 . 1 . . . . . 45 GLN N . 52112 1 93 . 1 . 1 48 48 CYS H H 1 7.709 0.000 . 1 . . . . . 46 CYS H . 52112 1 94 . 1 . 1 48 48 CYS N N 15 120.482 0.000 . 1 . . . . . 46 CYS N . 52112 1 95 . 1 . 1 51 51 THR H H 1 8.226 0.000 . 1 . . . . . 49 THR H . 52112 1 96 . 1 . 1 51 51 THR N N 15 123.041 0.000 . 1 . . . . . 49 THR N . 52112 1 97 . 1 . 1 52 52 GLU H H 1 8.850 0.000 . 1 . . . . . 50 GLU H . 52112 1 98 . 1 . 1 52 52 GLU N N 15 121.812 0.000 . 1 . . . . . 50 GLU N . 52112 1 99 . 1 . 1 53 53 VAL H H 1 8.509 0.000 . 1 . . . . . 51 VAL H . 52112 1 100 . 1 . 1 53 53 VAL N N 15 120.373 0.000 . 1 . . . . . 51 VAL N . 52112 1 101 . 1 . 1 54 54 ASN H H 1 7.326 0.000 . 1 . . . . . 52 ASN H . 52112 1 102 . 1 . 1 54 54 ASN N N 15 116.545 0.000 . 1 . . . . . 52 ASN N . 52112 1 103 . 1 . 1 55 55 TYR H H 1 8.573 0.000 . 1 . . . . . 53 TYR H . 52112 1 104 . 1 . 1 55 55 TYR N N 15 116.564 0.000 . 1 . . . . . 53 TYR N . 52112 1 105 . 1 . 1 56 56 THR H H 1 8.071 0.000 . 1 . . . . . 54 THR H . 52112 1 106 . 1 . 1 56 56 THR N N 15 108.744 0.000 . 1 . . . . . 54 THR N . 52112 1 107 . 1 . 1 57 57 GLN H H 1 7.797 0.000 . 1 . . . . . 55 GLN H . 52112 1 108 . 1 . 1 57 57 GLN N N 15 119.896 0.000 . 1 . . . . . 55 GLN N . 52112 1 109 . 1 . 1 58 58 LEU H H 1 8.609 0.000 . 1 . . . . . 56 LEU H . 52112 1 110 . 1 . 1 58 58 LEU N N 15 120.475 0.000 . 1 . . . . . 56 LEU N . 52112 1 111 . 1 . 1 59 59 VAL H H 1 8.424 0.000 . 1 . . . . . 57 VAL H . 52112 1 112 . 1 . 1 59 59 VAL N N 15 119.596 0.000 . 1 . . . . . 57 VAL N . 52112 1 113 . 1 . 1 60 60 ASP H H 1 7.755 0.000 . 1 . . . . . 58 ASP H . 52112 1 114 . 1 . 1 60 60 ASP N N 15 120.865 0.000 . 1 . . . . . 58 ASP N . 52112 1 115 . 1 . 1 61 61 LEU H H 1 8.576 0.000 . 1 . . . . . 59 LEU H . 52112 1 116 . 1 . 1 61 61 LEU N N 15 118.134 0.000 . 1 . . . . . 59 LEU N . 52112 1 117 . 1 . 1 62 62 HIS H H 1 8.703 0.000 . 1 . . . . . 60 HIS H . 52112 1 118 . 1 . 1 62 62 HIS N N 15 118.899 0.000 . 1 . . . . . 60 HIS N . 52112 1 119 . 1 . 1 63 63 ALA H H 1 8.824 0.000 . 1 . . . . . 61 ALA H . 52112 1 120 . 1 . 1 63 63 ALA N N 15 120.669 0.000 . 1 . . . . . 61 ALA N . 52112 1 121 . 1 . 1 64 64 ARG H H 1 7.971 0.000 . 1 . . . . . 62 ARG H . 52112 1 122 . 1 . 1 64 64 ARG N N 15 115.029 0.000 . 1 . . . . . 62 ARG N . 52112 1 123 . 1 . 1 65 65 TYR H H 1 8.370 0.000 . 1 . . . . . 63 TYR H . 52112 1 124 . 1 . 1 65 65 TYR N N 15 113.057 0.000 . 1 . . . . . 63 TYR N . 52112 1 125 . 1 . 1 66 66 ALA H H 1 8.915 0.000 . 1 . . . . . 64 ALA H . 52112 1 126 . 1 . 1 66 66 ALA N N 15 129.913 0.000 . 1 . . . . . 64 ALA N . 52112 1 127 . 1 . 1 67 67 GLU H H 1 8.846 0.000 . 1 . . . . . 65 GLU H . 52112 1 128 . 1 . 1 67 67 GLU N N 15 116.479 0.000 . 1 . . . . . 65 GLU N . 52112 1 129 . 1 . 1 68 68 CYS H H 1 7.537 0.000 . 1 . . . . . 66 CYS H . 52112 1 130 . 1 . 1 68 68 CYS N N 15 115.779 0.000 . 1 . . . . . 66 CYS N . 52112 1 131 . 1 . 1 69 69 GLY H H 1 7.733 0.000 . 1 . . . . . 67 GLY H . 52112 1 132 . 1 . 1 69 69 GLY N N 15 104.794 0.000 . 1 . . . . . 67 GLY N . 52112 1 133 . 1 . 1 70 70 LEU H H 1 7.666 0.000 . 1 . . . . . 68 LEU H . 52112 1 134 . 1 . 1 70 70 LEU N N 15 120.860 0.000 . 1 . . . . . 68 LEU N . 52112 1 135 . 1 . 1 71 71 ARG H H 1 9.633 0.000 . 1 . . . . . 69 ARG H . 52112 1 136 . 1 . 1 71 71 ARG N N 15 127.873 0.000 . 1 . . . . . 69 ARG N . 52112 1 137 . 1 . 1 72 72 ILE H H 1 8.392 0.000 . 1 . . . . . 70 ILE H . 52112 1 138 . 1 . 1 72 72 ILE N N 15 119.698 0.000 . 1 . . . . . 70 ILE N . 52112 1 139 . 1 . 1 73 73 LEU H H 1 9.006 0.000 . 1 . . . . . 71 LEU H . 52112 1 140 . 1 . 1 73 73 LEU N N 15 128.401 0.000 . 1 . . . . . 71 LEU N . 52112 1 141 . 1 . 1 74 74 ALA H H 1 8.892 0.000 . 1 . . . . . 72 ALA H . 52112 1 142 . 1 . 1 74 74 ALA N N 15 124.896 0.000 . 1 . . . . . 72 ALA N . 52112 1 143 . 1 . 1 75 75 PHE H H 1 9.435 0.000 . 1 . . . . . 73 PHE H . 52112 1 144 . 1 . 1 75 75 PHE N N 15 122.201 0.000 . 1 . . . . . 73 PHE N . 52112 1 145 . 1 . 1 77 77 CYS H H 1 7.998 0.000 . 1 . . . . . 75 CYS H . 52112 1 146 . 1 . 1 77 77 CYS N N 15 120.203 0.000 . 1 . . . . . 75 CYS N . 52112 1 147 . 1 . 1 78 78 ASN H H 1 9.808 0.000 . 1 . . . . . 76 ASN H . 52112 1 148 . 1 . 1 78 78 ASN N N 15 128.370 0.000 . 1 . . . . . 76 ASN N . 52112 1 149 . 1 . 1 79 79 GLN H H 1 7.315 0.000 . 1 . . . . . 77 GLN H . 52112 1 150 . 1 . 1 79 79 GLN N N 15 114.928 0.000 . 1 . . . . . 77 GLN N . 52112 1 151 . 1 . 1 80 80 PHE H H 1 8.094 0.000 . 1 . . . . . 78 PHE H . 52112 1 152 . 1 . 1 80 80 PHE N N 15 120.619 0.000 . 1 . . . . . 78 PHE N . 52112 1 153 . 1 . 1 81 81 GLY H H 1 8.531 0.000 . 1 . . . . . 79 GLY H . 52112 1 154 . 1 . 1 81 81 GLY N N 15 110.369 0.000 . 1 . . . . . 79 GLY N . 52112 1 155 . 1 . 1 82 82 LYS H H 1 7.132 0.000 . 1 . . . . . 80 LYS H . 52112 1 156 . 1 . 1 82 82 LYS N N 15 113.003 0.000 . 1 . . . . . 80 LYS N . 52112 1 157 . 1 . 1 83 83 GLN H H 1 6.244 0.000 . 1 . . . . . 81 GLN H . 52112 1 158 . 1 . 1 83 83 GLN N N 15 113.377 0.000 . 1 . . . . . 81 GLN N . 52112 1 159 . 1 . 1 84 84 GLU H H 1 9.122 0.000 . 1 . . . . . 82 GLU H . 52112 1 160 . 1 . 1 84 84 GLU N N 15 122.123 0.000 . 1 . . . . . 82 GLU N . 52112 1 161 . 1 . 1 86 86 GLY H H 1 9.171 0.000 . 1 . . . . . 84 GLY H . 52112 1 162 . 1 . 1 86 86 GLY N N 15 110.901 0.000 . 1 . . . . . 84 GLY N . 52112 1 163 . 1 . 1 87 87 SER H H 1 8.695 0.000 . 1 . . . . . 85 SER H . 52112 1 164 . 1 . 1 87 87 SER N N 15 115.542 0.000 . 1 . . . . . 85 SER N . 52112 1 165 . 1 . 1 88 88 ASN H H 1 8.858 0.000 . 1 . . . . . 86 ASN H . 52112 1 166 . 1 . 1 88 88 ASN N N 15 119.134 0.000 . 1 . . . . . 86 ASN N . 52112 1 167 . 1 . 1 89 89 GLU H H 1 8.648 0.000 . 1 . . . . . 87 GLU H . 52112 1 168 . 1 . 1 89 89 GLU N N 15 118.292 0.000 . 1 . . . . . 87 GLU N . 52112 1 169 . 1 . 1 90 90 GLU H H 1 7.718 0.000 . 1 . . . . . 88 GLU H . 52112 1 170 . 1 . 1 90 90 GLU N N 15 121.677 0.000 . 1 . . . . . 88 GLU N . 52112 1 171 . 1 . 1 91 91 ILE H H 1 8.577 0.000 . 1 . . . . . 89 ILE H . 52112 1 172 . 1 . 1 91 91 ILE N N 15 124.813 0.000 . 1 . . . . . 89 ILE N . 52112 1 173 . 1 . 1 92 92 LYS H H 1 8.434 0.000 . 1 . . . . . 90 LYS H . 52112 1 174 . 1 . 1 92 92 LYS N N 15 121.350 0.000 . 1 . . . . . 90 LYS N . 52112 1 175 . 1 . 1 93 93 GLU H H 1 7.521 0.000 . 1 . . . . . 91 GLU H . 52112 1 176 . 1 . 1 93 93 GLU N N 15 118.854 0.000 . 1 . . . . . 91 GLU N . 52112 1 177 . 1 . 1 94 94 PHE H H 1 8.415 0.000 . 1 . . . . . 92 PHE H . 52112 1 178 . 1 . 1 94 94 PHE N N 15 124.216 0.000 . 1 . . . . . 92 PHE N . 52112 1 179 . 1 . 1 95 95 ALA H H 1 8.901 0.000 . 1 . . . . . 93 ALA H . 52112 1 180 . 1 . 1 95 95 ALA N N 15 122.804 0.000 . 1 . . . . . 93 ALA N . 52112 1 181 . 1 . 1 96 96 ALA H H 1 7.932 0.000 . 1 . . . . . 94 ALA H . 52112 1 182 . 1 . 1 96 96 ALA N N 15 121.543 0.000 . 1 . . . . . 94 ALA N . 52112 1 183 . 1 . 1 97 97 GLY H H 1 7.673 0.000 . 1 . . . . . 95 GLY H . 52112 1 184 . 1 . 1 97 97 GLY N N 15 107.782 0.000 . 1 . . . . . 95 GLY N . 52112 1 185 . 1 . 1 98 98 TYR H H 1 7.186 0.000 . 1 . . . . . 96 TYR H . 52112 1 186 . 1 . 1 98 98 TYR N N 15 117.809 0.000 . 1 . . . . . 96 TYR N . 52112 1 187 . 1 . 1 99 99 ASN H H 1 8.068 0.000 . 1 . . . . . 97 ASN H . 52112 1 188 . 1 . 1 99 99 ASN N N 15 114.453 0.000 . 1 . . . . . 97 ASN N . 52112 1 189 . 1 . 1 100 100 VAL H H 1 6.800 0.000 . 1 . . . . . 98 VAL H . 52112 1 190 . 1 . 1 100 100 VAL N N 15 115.622 0.000 . 1 . . . . . 98 VAL N . 52112 1 191 . 1 . 1 101 101 LYS H H 1 9.651 0.000 . 1 . . . . . 99 LYS H . 52112 1 192 . 1 . 1 101 101 LYS N N 15 127.007 0.000 . 1 . . . . . 99 LYS N . 52112 1 193 . 1 . 1 102 102 PHE H H 1 6.306 0.000 . 1 . . . . . 100 PHE H . 52112 1 194 . 1 . 1 102 102 PHE N N 15 117.107 0.000 . 1 . . . . . 100 PHE N . 52112 1 195 . 1 . 1 103 103 ASP H H 1 8.121 0.000 . 1 . . . . . 101 ASP H . 52112 1 196 . 1 . 1 103 103 ASP N N 15 118.680 0.000 . 1 . . . . . 101 ASP N . 52112 1 197 . 1 . 1 104 104 MET H H 1 8.158 0.000 . 1 . . . . . 102 MET H . 52112 1 198 . 1 . 1 104 104 MET N N 15 121.477 0.000 . 1 . . . . . 102 MET N . 52112 1 199 . 1 . 1 105 105 PHE H H 1 8.496 0.000 . 1 . . . . . 103 PHE H . 52112 1 200 . 1 . 1 105 105 PHE N N 15 123.226 0.000 . 1 . . . . . 103 PHE N . 52112 1 201 . 1 . 1 106 106 SER H H 1 7.809 0.000 . 1 . . . . . 104 SER H . 52112 1 202 . 1 . 1 106 106 SER N N 15 110.093 0.000 . 1 . . . . . 104 SER N . 52112 1 203 . 1 . 1 107 107 LYS H H 1 8.347 0.000 . 1 . . . . . 105 LYS H . 52112 1 204 . 1 . 1 107 107 LYS N N 15 122.824 0.000 . 1 . . . . . 105 LYS N . 52112 1 205 . 1 . 1 109 109 CYS H H 1 8.684 0.000 . 1 . . . . . 107 CYS H . 52112 1 206 . 1 . 1 109 109 CYS N N 15 117.287 0.000 . 1 . . . . . 107 CYS N . 52112 1 207 . 1 . 1 110 110 VAL H H 1 8.066 0.000 . 1 . . . . . 108 VAL H . 52112 1 208 . 1 . 1 110 110 VAL N N 15 113.313 0.000 . 1 . . . . . 108 VAL N . 52112 1 209 . 1 . 1 114 114 ASP H H 1 8.682 0.000 . 1 . . . . . 112 ASP H . 52112 1 210 . 1 . 1 114 114 ASP N N 15 117.737 0.000 . 1 . . . . . 112 ASP N . 52112 1 211 . 1 . 1 115 115 ALA H H 1 6.907 0.000 . 1 . . . . . 113 ALA H . 52112 1 212 . 1 . 1 115 115 ALA N N 15 120.842 0.000 . 1 . . . . . 113 ALA N . 52112 1 213 . 1 . 1 116 116 HIS H H 1 7.748 0.000 . 1 . . . . . 114 HIS H . 52112 1 214 . 1 . 1 116 116 HIS N N 15 122.686 0.000 . 1 . . . . . 114 HIS N . 52112 1 215 . 1 . 1 118 118 LEU H H 1 10.323 0.000 . 1 . . . . . 116 LEU H . 52112 1 216 . 1 . 1 118 118 LEU N N 15 119.849 0.000 . 1 . . . . . 116 LEU N . 52112 1 217 . 1 . 1 119 119 TRP H H 1 7.344 0.000 . 1 . . . . . 117 TRP H . 52112 1 218 . 1 . 1 119 119 TRP N N 15 118.850 0.000 . 1 . . . . . 117 TRP N . 52112 1 219 . 1 . 1 120 120 LYS H H 1 7.296 0.000 . 1 . . . . . 118 LYS H . 52112 1 220 . 1 . 1 120 120 LYS N N 15 117.772 0.000 . 1 . . . . . 118 LYS N . 52112 1 221 . 1 . 1 121 121 TRP H H 1 7.819 0.000 . 1 . . . . . 119 TRP H . 52112 1 222 . 1 . 1 121 121 TRP N N 15 117.173 0.000 . 1 . . . . . 119 TRP N . 52112 1 223 . 1 . 1 122 122 MET H H 1 8.675 0.000 . 1 . . . . . 120 MET H . 52112 1 224 . 1 . 1 122 122 MET N N 15 119.799 0.000 . 1 . . . . . 120 MET N . 52112 1 225 . 1 . 1 123 123 LYS H H 1 6.826 0.000 . 1 . . . . . 121 LYS H . 52112 1 226 . 1 . 1 123 123 LYS N N 15 110.381 0.000 . 1 . . . . . 121 LYS N . 52112 1 227 . 1 . 1 124 124 ILE H H 1 6.776 0.000 . 1 . . . . . 122 ILE H . 52112 1 228 . 1 . 1 124 124 ILE N N 15 105.790 0.000 . 1 . . . . . 122 ILE N . 52112 1 229 . 1 . 1 125 125 GLN H H 1 7.068 0.000 . 1 . . . . . 123 GLN H . 52112 1 230 . 1 . 1 125 125 GLN N N 15 122.608 0.000 . 1 . . . . . 123 GLN N . 52112 1 231 . 1 . 1 127 127 LYS H H 1 8.321 0.000 . 1 . . . . . 125 LYS H . 52112 1 232 . 1 . 1 127 127 LYS N N 15 112.509 0.000 . 1 . . . . . 125 LYS N . 52112 1 233 . 1 . 1 128 128 GLY H H 1 7.919 0.000 . 1 . . . . . 126 GLY H . 52112 1 234 . 1 . 1 128 128 GLY N N 15 106.264 0.000 . 1 . . . . . 126 GLY N . 52112 1 235 . 1 . 1 129 129 LYS H H 1 6.723 0.000 . 1 . . . . . 127 LYS H . 52112 1 236 . 1 . 1 129 129 LYS N N 15 119.424 0.000 . 1 . . . . . 127 LYS N . 52112 1 237 . 1 . 1 130 130 GLY H H 1 8.179 0.000 . 1 . . . . . 128 GLY H . 52112 1 238 . 1 . 1 130 130 GLY N N 15 109.253 0.000 . 1 . . . . . 128 GLY N . 52112 1 239 . 1 . 1 134 134 ASN H H 1 8.841 0.000 . 1 . . . . . 132 ASN H . 52112 1 240 . 1 . 1 134 134 ASN N N 15 119.486 0.000 . 1 . . . . . 132 ASN N . 52112 1 241 . 1 . 1 135 135 ALA H H 1 8.100 0.000 . 1 . . . . . 133 ALA H . 52112 1 242 . 1 . 1 135 135 ALA N N 15 122.157 0.000 . 1 . . . . . 133 ALA N . 52112 1 243 . 1 . 1 136 136 ILE H H 1 9.158 0.000 . 1 . . . . . 134 ILE H . 52112 1 244 . 1 . 1 136 136 ILE N N 15 122.384 0.000 . 1 . . . . . 134 ILE N . 52112 1 245 . 1 . 1 137 137 LYS H H 1 9.566 0.000 . 1 . . . . . 135 LYS H . 52112 1 246 . 1 . 1 137 137 LYS N N 15 127.245 0.000 . 1 . . . . . 135 LYS N . 52112 1 247 . 1 . 1 138 138 TRP H H 1 6.524 0.000 . 1 . . . . . 136 TRP H . 52112 1 248 . 1 . 1 138 138 TRP N N 15 111.070 0.000 . 1 . . . . . 136 TRP N . 52112 1 249 . 1 . 1 139 139 ASN H H 1 5.844 0.000 . 1 . . . . . 137 ASN H . 52112 1 250 . 1 . 1 139 139 ASN N N 15 116.350 0.000 . 1 . . . . . 137 ASN N . 52112 1 251 . 1 . 1 140 140 PHE H H 1 7.975 0.000 . 1 . . . . . 138 PHE H . 52112 1 252 . 1 . 1 140 140 PHE N N 15 113.891 0.000 . 1 . . . . . 138 PHE N . 52112 1 253 . 1 . 1 141 141 THR H H 1 8.605 0.000 . 1 . . . . . 139 THR H . 52112 1 254 . 1 . 1 141 141 THR N N 15 116.650 0.000 . 1 . . . . . 139 THR N . 52112 1 255 . 1 . 1 142 142 LYS H H 1 9.204 0.000 . 1 . . . . . 140 LYS H . 52112 1 256 . 1 . 1 142 142 LYS N N 15 127.014 0.000 . 1 . . . . . 140 LYS N . 52112 1 257 . 1 . 1 143 143 PHE H H 1 9.603 0.000 . 1 . . . . . 141 PHE H . 52112 1 258 . 1 . 1 143 143 PHE N N 15 120.804 0.000 . 1 . . . . . 141 PHE N . 52112 1 259 . 1 . 1 144 144 LEU H H 1 9.009 0.000 . 1 . . . . . 142 LEU H . 52112 1 260 . 1 . 1 144 144 LEU N N 15 124.907 0.000 . 1 . . . . . 142 LEU N . 52112 1 261 . 1 . 1 145 145 ILE H H 1 9.543 0.000 . 1 . . . . . 143 ILE H . 52112 1 262 . 1 . 1 145 145 ILE N N 15 131.063 0.000 . 1 . . . . . 143 ILE N . 52112 1 263 . 1 . 1 146 146 ASP H H 1 8.674 0.000 . 1 . . . . . 144 ASP H . 52112 1 264 . 1 . 1 146 146 ASP N N 15 124.562 0.000 . 1 . . . . . 144 ASP N . 52112 1 265 . 1 . 1 147 147 LYS H H 1 8.795 0.000 . 1 . . . . . 145 LYS H . 52112 1 266 . 1 . 1 147 147 LYS N N 15 116.439 0.000 . 1 . . . . . 145 LYS N . 52112 1 267 . 1 . 1 148 148 ASN H H 1 8.188 0.000 . 1 . . . . . 146 ASN H . 52112 1 268 . 1 . 1 148 148 ASN N N 15 114.732 0.000 . 1 . . . . . 146 ASN N . 52112 1 269 . 1 . 1 149 149 GLY H H 1 8.707 0.000 . 1 . . . . . 147 GLY H . 52112 1 270 . 1 . 1 149 149 GLY N N 15 110.898 0.000 . 1 . . . . . 147 GLY N . 52112 1 271 . 1 . 1 150 150 CYS H H 1 8.547 0.000 . 1 . . . . . 148 CYS H . 52112 1 272 . 1 . 1 150 150 CYS N N 15 120.514 0.000 . 1 . . . . . 148 CYS N . 52112 1 273 . 1 . 1 151 151 VAL H H 1 8.625 0.000 . 1 . . . . . 149 VAL H . 52112 1 274 . 1 . 1 151 151 VAL N N 15 123.766 0.000 . 1 . . . . . 149 VAL N . 52112 1 275 . 1 . 1 152 152 VAL H H 1 9.213 0.000 . 1 . . . . . 150 VAL H . 52112 1 276 . 1 . 1 152 152 VAL N N 15 122.579 0.000 . 1 . . . . . 150 VAL N . 52112 1 277 . 1 . 1 153 153 LYS H H 1 7.400 0.000 . 1 . . . . . 151 LYS H . 52112 1 278 . 1 . 1 153 153 LYS N N 15 119.855 0.000 . 1 . . . . . 151 LYS N . 52112 1 279 . 1 . 1 154 154 ARG H H 1 7.649 0.000 . 1 . . . . . 152 ARG H . 52112 1 280 . 1 . 1 154 154 ARG N N 15 123.868 0.000 . 1 . . . . . 152 ARG N . 52112 1 281 . 1 . 1 155 155 TYR H H 1 9.509 0.000 . 1 . . . . . 153 TYR H . 52112 1 282 . 1 . 1 155 155 TYR N N 15 126.701 0.000 . 1 . . . . . 153 TYR N . 52112 1 283 . 1 . 1 156 156 GLY H H 1 9.339 0.000 . 1 . . . . . 154 GLY H . 52112 1 284 . 1 . 1 156 156 GLY N N 15 110.202 0.000 . 1 . . . . . 154 GLY N . 52112 1 285 . 1 . 1 158 158 MET H H 1 8.571 0.000 . 1 . . . . . 156 MET H . 52112 1 286 . 1 . 1 158 158 MET N N 15 113.192 0.000 . 1 . . . . . 156 MET N . 52112 1 287 . 1 . 1 159 159 GLU H H 1 7.903 0.000 . 1 . . . . . 157 GLU H . 52112 1 288 . 1 . 1 159 159 GLU N N 15 122.222 0.000 . 1 . . . . . 157 GLU N . 52112 1 289 . 1 . 1 160 160 GLU H H 1 9.060 0.000 . 1 . . . . . 158 GLU H . 52112 1 290 . 1 . 1 160 160 GLU N N 15 129.296 0.000 . 1 . . . . . 158 GLU N . 52112 1 291 . 1 . 1 162 162 LEU H H 1 8.512 0.000 . 1 . . . . . 160 LEU H . 52112 1 292 . 1 . 1 162 162 LEU N N 15 112.657 0.000 . 1 . . . . . 160 LEU N . 52112 1 293 . 1 . 1 163 163 VAL H H 1 8.357 0.000 . 1 . . . . . 161 VAL H . 52112 1 294 . 1 . 1 163 163 VAL N N 15 118.892 0.000 . 1 . . . . . 161 VAL N . 52112 1 295 . 1 . 1 164 164 ILE H H 1 7.863 0.000 . 1 . . . . . 162 ILE H . 52112 1 296 . 1 . 1 164 164 ILE N N 15 120.575 0.000 . 1 . . . . . 162 ILE N . 52112 1 297 . 1 . 1 165 165 GLU H H 1 7.391 0.000 . 1 . . . . . 163 GLU H . 52112 1 298 . 1 . 1 165 165 GLU N N 15 118.147 0.000 . 1 . . . . . 163 GLU N . 52112 1 299 . 1 . 1 166 166 LYS H H 1 7.412 0.000 . 1 . . . . . 164 LYS H . 52112 1 300 . 1 . 1 166 166 LYS N N 15 114.146 0.000 . 1 . . . . . 164 LYS N . 52112 1 301 . 1 . 1 167 167 ASP H H 1 7.658 0.000 . 1 . . . . . 165 ASP H . 52112 1 302 . 1 . 1 167 167 ASP N N 15 116.505 0.000 . 1 . . . . . 165 ASP N . 52112 1 303 . 1 . 1 168 168 LEU H H 1 7.149 0.000 . 1 . . . . . 166 LEU H . 52112 1 304 . 1 . 1 168 168 LEU N N 15 117.232 0.000 . 1 . . . . . 166 LEU N . 52112 1 305 . 1 . 1 170 170 HIS H H 1 7.199 0.000 . 1 . . . . . 168 HIS H . 52112 1 306 . 1 . 1 170 170 HIS N N 15 112.468 0.000 . 1 . . . . . 168 HIS N . 52112 1 307 . 1 . 1 171 171 TYR H H 1 7.863 0.000 . 1 . . . . . 169 TYR H . 52112 1 308 . 1 . 1 171 171 TYR N N 15 115.300 0.000 . 1 . . . . . 169 TYR N . 52112 1 309 . 1 . 1 172 172 PHE H H 1 6.837 0.000 . 1 . . . . . 170 PHE H . 52112 1 310 . 1 . 1 172 172 PHE N N 15 122.390 0.000 . 1 . . . . . 170 PHE N . 52112 1 stop_ save_