################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 'estimate from digital resolution' _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' . . . 15892 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 $Felix . . 15892 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 GLN H H 1 8.67 0.01 . 1 . . . . 2 GLN H . 15892 1 2 . 1 1 3 3 GLN N N 15 127.37 0.01 . 1 . . . . 2 GLN N . 15892 1 3 . 1 1 4 4 PHE H H 1 8.18 0.01 . 1 . . . . 3 PHE H . 15892 1 4 . 1 1 4 4 PHE N N 15 123.00 0.01 . 1 . . . . 3 PHE N . 15892 1 5 . 1 1 5 5 THR H H 1 8.23 0.01 . 1 . . . . 4 THR H . 15892 1 6 . 1 1 5 5 THR N N 15 107.99 0.01 . 1 . . . . 4 THR N . 15892 1 7 . 1 1 6 6 LYS H H 1 8.99 0.01 . 1 . . . . 5 LYS H . 15892 1 8 . 1 1 6 6 LYS N N 15 120.80 0.01 . 1 . . . . 5 LYS N . 15892 1 9 . 1 1 8 8 GLU H H 1 7.84 0.01 . 1 . . . . 7 GLU H . 15892 1 10 . 1 1 8 8 GLU N N 15 123.91 0.01 . 1 . . . . 7 GLU N . 15892 1 11 . 1 1 9 9 LEU H H 1 8.26 0.01 . 1 . . . . 8 LEU H . 15892 1 12 . 1 1 9 9 LEU N N 15 118.86 0.01 . 1 . . . . 8 LEU N . 15892 1 13 . 1 1 10 10 SER H H 1 8.02 0.01 . 1 . . . . 9 SER H . 15892 1 14 . 1 1 10 10 SER N N 15 113.37 0.01 . 1 . . . . 9 SER N . 15892 1 15 . 1 1 11 11 GLN H H 1 7.27 0.01 . 1 . . . . 10 GLN H . 15892 1 16 . 1 1 11 11 GLN N N 15 117.41 0.01 . 1 . . . . 10 GLN N . 15892 1 17 . 1 1 12 12 LEU H H 1 7.60 0.01 . 1 . . . . 11 LEU H . 15892 1 18 . 1 1 12 12 LEU N N 15 119.38 0.01 . 1 . . . . 11 LEU N . 15892 1 19 . 1 1 13 13 LEU H H 1 7.85 0.01 . 1 . . . . 12 LEU H . 15892 1 20 . 1 1 13 13 LEU N N 15 115.68 0.01 . 1 . . . . 12 LEU N . 15892 1 21 . 1 1 14 14 LYS H H 1 7.07 0.01 . 1 . . . . 13 LYS H . 15892 1 22 . 1 1 14 14 LYS N N 15 120.07 0.01 . 1 . . . . 13 LYS N . 15892 1 23 . 1 1 15 15 ASP H H 1 8.55 0.01 . 1 . . . . 14 ASP H . 15892 1 24 . 1 1 15 15 ASP N N 15 116.58 0.01 . 1 . . . . 14 ASP N . 15892 1 25 . 1 1 16 16 ILE H H 1 8.12 0.01 . 1 . . . . 15 ILE H . 15892 1 26 . 1 1 16 16 ILE N N 15 115.73 0.01 . 1 . . . . 15 ILE N . 15892 1 27 . 1 1 17 17 ASP H H 1 7.37 0.01 . 1 . . . . 16 ASP H . 15892 1 28 . 1 1 17 17 ASP N N 15 121.58 0.01 . 1 . . . . 16 ASP N . 15892 1 29 . 1 1 18 18 GLY H H 1 8.57 0.01 . 1 . . . . 17 GLY H . 15892 1 30 . 1 1 18 18 GLY N N 15 118.23 0.01 . 1 . . . . 17 GLY N . 15892 1 31 . 1 1 19 19 TYR H H 1 8.46 0.01 . 1 . . . . 18 TYR H . 15892 1 32 . 1 1 19 19 TYR N N 15 127.18 0.01 . 1 . . . . 18 TYR N . 15892 1 33 . 1 1 20 20 GLY H H 1 8.68 0.01 . 1 . . . . 19 GLY H . 15892 1 34 . 1 1 20 20 GLY N N 15 117.26 0.01 . 1 . . . . 19 GLY N . 15892 1 35 . 1 1 21 21 GLY H H 1 8.02 0.01 . 1 . . . . 20 GLY H . 15892 1 36 . 1 1 21 21 GLY N N 15 105.50 0.01 . 1 . . . . 20 GLY N . 15892 1 37 . 1 1 22 22 ILE H H 1 7.37 0.01 . 1 . . . . 21 ILE H . 15892 1 38 . 1 1 22 22 ILE N N 15 119.88 0.01 . 1 . . . . 21 ILE N . 15892 1 39 . 1 1 23 23 ALA H H 1 8.63 0.01 . 1 . . . . 22 ALA H . 15892 1 40 . 1 1 23 23 ALA N N 15 128.54 0.01 . 1 . . . . 22 ALA N . 15892 1 41 . 1 1 24 24 LEU H H 1 8.96 0.01 . 1 . . . . 23 LEU H . 15892 1 42 . 1 1 24 24 LEU N N 15 125.11 0.01 . 1 . . . . 23 LEU N . 15892 1 43 . 1 1 26 26 GLU H H 1 7.29 0.01 . 1 . . . . 25 GLU H . 15892 1 44 . 1 1 26 26 GLU N N 15 113.37 0.01 . 1 . . . . 25 GLU N . 15892 1 45 . 1 1 27 27 LEU H H 1 7.78 0.01 . 1 . . . . 26 LEU H . 15892 1 46 . 1 1 27 27 LEU N N 15 124.62 0.01 . 1 . . . . 26 LEU N . 15892 1 47 . 1 1 28 28 ILE H H 1 8.51 0.01 . 1 . . . . 27 ILE H . 15892 1 48 . 1 1 28 28 ILE N N 15 121.07 0.01 . 1 . . . . 27 ILE N . 15892 1 49 . 1 1 29 29 CYS H H 1 7.73 0.01 . 1 . . . . 28 CYS H . 15892 1 50 . 1 1 29 29 CYS N N 15 120.45 0.01 . 1 . . . . 28 CYS N . 15892 1 51 . 1 1 30 30 THR H H 1 7.39 0.01 . 1 . . . . 29 THR H . 15892 1 52 . 1 1 30 30 THR N N 15 117.71 0.01 . 1 . . . . 29 THR N . 15892 1 53 . 1 1 31 31 MET H H 1 8.43 0.01 . 1 . . . . 30 MET H . 15892 1 54 . 1 1 31 31 MET N N 15 122.46 0.01 . 1 . . . . 30 MET N . 15892 1 55 . 1 1 32 32 PHE H H 1 8.41 0.01 . 1 . . . . 31 PHE H . 15892 1 56 . 1 1 32 32 PHE N N 15 123.90 0.01 . 1 . . . . 31 PHE N . 15892 1 57 . 1 1 33 33 HIS H H 1 7.29 0.01 . 1 . . . . 32 HIS H . 15892 1 58 . 1 1 33 33 HIS N N 15 115.91 0.01 . 1 . . . . 32 HIS N . 15892 1 59 . 1 1 34 34 THR H H 1 7.58 0.01 . 1 . . . . 33 THR H . 15892 1 60 . 1 1 34 34 THR N N 15 116.10 0.01 . 1 . . . . 33 THR N . 15892 1 61 . 1 1 35 35 SER H H 1 8.23 0.01 . 1 . . . . 34 SER H . 15892 1 62 . 1 1 35 35 SER N N 15 111.64 0.01 . 1 . . . . 34 SER N . 15892 1 63 . 1 1 36 36 GLY H H 1 7.95 0.01 . 1 . . . . 35 GLY H . 15892 1 64 . 1 1 36 36 GLY N N 15 115.72 0.01 . 1 . . . . 35 GLY N . 15892 1 65 . 1 1 37 37 TYR H H 1 7.26 0.01 . 1 . . . . 36 TYR H . 15892 1 66 . 1 1 37 37 TYR N N 15 107.36 0.01 . 1 . . . . 36 TYR N . 15892 1 67 . 1 1 38 38 ASP H H 1 7.15 0.01 . 1 . . . . 37 ASP H . 15892 1 68 . 1 1 38 38 ASP N N 15 119.69 0.01 . 1 . . . . 37 ASP N . 15892 1 69 . 1 1 39 39 THR H H 1 8.17 0.01 . 1 . . . . 38 THR H . 15892 1 70 . 1 1 39 39 THR N N 15 116.14 0.01 . 1 . . . . 38 THR N . 15892 1 71 . 1 1 40 40 GLN H H 1 8.08 0.01 . 1 . . . . 39 GLN H . 15892 1 72 . 1 1 40 40 GLN N N 15 114.96 0.01 . 1 . . . . 39 GLN N . 15892 1 73 . 1 1 41 41 ALA H H 1 6.99 0.01 . 1 . . . . 40 ALA H . 15892 1 74 . 1 1 41 41 ALA N N 15 123.38 0.01 . 1 . . . . 40 ALA N . 15892 1 75 . 1 1 42 42 ILE H H 1 8.04 0.01 . 1 . . . . 41 ILE H . 15892 1 76 . 1 1 42 42 ILE N N 15 119.38 0.01 . 1 . . . . 41 ILE N . 15892 1 77 . 1 1 43 43 VAL H H 1 8.25 0.01 . 1 . . . . 42 VAL H . 15892 1 78 . 1 1 43 43 VAL N N 15 128.04 0.01 . 1 . . . . 42 VAL N . 15892 1 79 . 1 1 44 44 GLU H H 1 8.82 0.01 . 1 . . . . 43 GLU H . 15892 1 80 . 1 1 44 44 GLU N N 15 127.73 0.01 . 1 . . . . 43 GLU N . 15892 1 81 . 1 1 45 45 ASN H H 1 8.73 0.01 . 1 . . . . 44 ASN H . 15892 1 82 . 1 1 45 45 ASN N N 15 123.28 0.01 . 1 . . . . 44 ASN N . 15892 1 83 . 1 1 46 46 ASN H H 1 8.81 0.01 . 1 . . . . 45 ASN H . 15892 1 84 . 1 1 46 46 ASN N N 15 117.50 0.01 . 1 . . . . 45 ASN N . 15892 1 85 . 1 1 47 47 GLU H H 1 8.68 0.01 . 1 . . . . 46 GLU H . 15892 1 86 . 1 1 47 47 GLU N N 15 116.10 0.01 . 1 . . . . 46 GLU N . 15892 1 87 . 1 1 48 48 SER H H 1 7.72 0.01 . 1 . . . . 47 SER H . 15892 1 88 . 1 1 48 48 SER N N 15 112.35 0.01 . 1 . . . . 47 SER N . 15892 1 89 . 1 1 49 49 THR H H 1 8.93 0.01 . 1 . . . . 48 THR H . 15892 1 90 . 1 1 49 49 THR N N 15 116.61 0.01 . 1 . . . . 48 THR N . 15892 1 91 . 1 1 50 50 GLU H H 1 8.61 0.01 . 1 . . . . 49 GLU H . 15892 1 92 . 1 1 50 50 GLU N N 15 124.39 0.01 . 1 . . . . 49 GLU N . 15892 1 93 . 1 1 51 51 TYR H H 1 8.60 0.01 . 1 . . . . 50 TYR H . 15892 1 94 . 1 1 51 51 TYR N N 15 118.83 0.01 . 1 . . . . 50 TYR N . 15892 1 95 . 1 1 53 53 LEU H H 1 10.01 0.01 . 1 . . . . 52 LEU H . 15892 1 96 . 1 1 53 53 LEU N N 15 125.12 0.01 . 1 . . . . 52 LEU N . 15892 1 97 . 1 1 54 54 PHE H H 1 9.13 0.01 . 1 . . . . 53 PHE H . 15892 1 98 . 1 1 54 54 PHE N N 15 111.97 0.01 . 1 . . . . 53 PHE N . 15892 1 99 . 1 1 55 55 GLN H H 1 8.23 0.01 . 1 . . . . 54 GLN H . 15892 1 100 . 1 1 55 55 GLN N N 15 118.45 0.01 . 1 . . . . 54 GLN N . 15892 1 101 . 1 1 56 56 ILE H H 1 8.02 0.01 . 1 . . . . 55 ILE H . 15892 1 102 . 1 1 56 56 ILE N N 15 123.02 0.01 . 1 . . . . 55 ILE N . 15892 1 103 . 1 1 57 57 SER H H 1 7.50 0.01 . 1 . . . . 56 SER H . 15892 1 104 . 1 1 57 57 SER N N 15 120.61 0.01 . 1 . . . . 56 SER N . 15892 1 105 . 1 1 58 58 ASN H H 1 9.32 0.01 . 1 . . . . 57 ASN H . 15892 1 106 . 1 1 58 58 ASN N N 15 127.17 0.01 . 1 . . . . 57 ASN N . 15892 1 107 . 1 1 59 59 LYS H H 1 8.64 0.01 . 1 . . . . 58 LYS H . 15892 1 108 . 1 1 59 59 LYS N N 15 118.63 0.01 . 1 . . . . 58 LYS N . 15892 1 109 . 1 1 60 60 LEU H H 1 6.69 0.01 . 1 . . . . 59 LEU H . 15892 1 110 . 1 1 60 60 LEU N N 15 112.03 0.01 . 1 . . . . 59 LEU N . 15892 1 111 . 1 1 61 61 TRP H H 1 7.09 0.01 . 1 . . . . 60 TRP H . 15892 1 112 . 1 1 61 61 TRP N N 15 115.06 0.01 . 1 . . . . 60 TRP N . 15892 1 113 . 1 1 62 62 CYS H H 1 7.51 0.01 . 1 . . . . 61 CYS H . 15892 1 114 . 1 1 62 62 CYS N N 15 110.28 0.01 . 1 . . . . 61 CYS N . 15892 1 115 . 1 1 63 63 LYS H H 1 8.66 0.01 . 1 . . . . 62 LYS H . 15892 1 116 . 1 1 63 63 LYS N N 15 122.10 0.01 . 1 . . . . 62 LYS N . 15892 1 117 . 1 1 64 64 SER H H 1 9.22 0.01 . 1 . . . . 63 SER H . 15892 1 118 . 1 1 64 64 SER N N 15 113.55 0.01 . 1 . . . . 63 SER N . 15892 1 119 . 1 1 66 66 GLN H H 1 7.82 0.01 . 1 . . . . 65 GLN H . 15892 1 120 . 1 1 66 66 GLN N N 15 120.13 0.01 . 1 . . . . 65 GLN N . 15892 1 121 . 1 1 67 67 VAL H H 1 6.60 0.01 . 1 . . . . 66 VAL H . 15892 1 122 . 1 1 67 67 VAL N N 15 113.58 0.01 . 1 . . . . 66 VAL N . 15892 1 123 . 1 1 69 69 GLN H H 1 8.89 0.01 . 1 . . . . 68 GLN H . 15892 1 124 . 1 1 69 69 GLN N N 15 115.74 0.01 . 1 . . . . 68 GLN N . 15892 1 125 . 1 1 70 70 SER H H 1 7.36 0.01 . 1 . . . . 69 SER H . 15892 1 126 . 1 1 70 70 SER N N 15 114.34 0.01 . 1 . . . . 69 SER N . 15892 1 127 . 1 1 71 71 ARG H H 1 8.68 0.01 . 1 . . . . 70 ARG H . 15892 1 128 . 1 1 71 71 ARG N N 15 127.71 0.01 . 1 . . . . 70 ARG N . 15892 1 129 . 1 1 72 72 ASN H H 1 7.82 0.01 . 1 . . . . 71 ASN H . 15892 1 130 . 1 1 72 72 ASN N N 15 115.36 0.01 . 1 . . . . 71 ASN N . 15892 1 131 . 1 1 73 73 ILE H H 1 8.41 0.01 . 1 . . . . 72 ILE H . 15892 1 132 . 1 1 73 73 ILE N N 15 119.23 0.01 . 1 . . . . 72 ILE N . 15892 1 133 . 1 1 74 74 CYS H H 1 9.12 0.01 . 1 . . . . 73 CYS H . 15892 1 134 . 1 1 74 74 CYS N N 15 113.15 0.01 . 1 . . . . 73 CYS N . 15892 1 135 . 1 1 75 75 ASP H H 1 7.91 0.01 . 1 . . . . 74 ASP H . 15892 1 136 . 1 1 75 75 ASP N N 15 122.26 0.01 . 1 . . . . 74 ASP N . 15892 1 137 . 1 1 76 76 ILE H H 1 9.07 0.01 . 1 . . . . 75 ILE H . 15892 1 138 . 1 1 76 76 ILE N N 15 120.33 0.01 . 1 . . . . 75 ILE N . 15892 1 139 . 1 1 77 77 SER H H 1 8.08 0.01 . 1 . . . . 76 SER H . 15892 1 140 . 1 1 77 77 SER N N 15 120.15 0.01 . 1 . . . . 76 SER N . 15892 1 141 . 1 1 78 78 CYS H H 1 8.74 0.01 . 1 . . . . 77 CYS H . 15892 1 142 . 1 1 78 78 CYS N N 15 124.93 0.01 . 1 . . . . 77 CYS N . 15892 1 143 . 1 1 79 79 ASP H H 1 7.82 0.01 . 1 . . . . 78 ASP H . 15892 1 144 . 1 1 79 79 ASP N N 15 115.36 0.01 . 1 . . . . 78 ASP N . 15892 1 145 . 1 1 80 80 LYS H H 1 7.50 0.01 . 1 . . . . 79 LYS H . 15892 1 146 . 1 1 80 80 LYS N N 15 119.69 0.01 . 1 . . . . 79 LYS N . 15892 1 147 . 1 1 81 81 PHE H H 1 8.07 0.01 . 1 . . . . 80 PHE H . 15892 1 148 . 1 1 81 81 PHE N N 15 121.51 0.01 . 1 . . . . 80 PHE N . 15892 1 149 . 1 1 82 82 LEU H H 1 6.98 0.01 . 1 . . . . 81 LEU H . 15892 1 150 . 1 1 82 82 LEU N N 15 113.59 0.01 . 1 . . . . 81 LEU N . 15892 1 151 . 1 1 83 83 ASP H H 1 7.49 0.01 . 1 . . . . 82 ASP H . 15892 1 152 . 1 1 83 83 ASP N N 15 119.54 0.01 . 1 . . . . 82 ASP N . 15892 1 153 . 1 1 84 84 ASP H H 1 7.88 0.01 . 1 . . . . 83 ASP H . 15892 1 154 . 1 1 84 84 ASP N N 15 114.25 0.01 . 1 . . . . 83 ASP N . 15892 1 155 . 1 1 85 85 ASP H H 1 7.20 0.01 . 1 . . . . 84 ASP H . 15892 1 156 . 1 1 85 85 ASP N N 15 116.86 0.01 . 1 . . . . 84 ASP N . 15892 1 157 . 1 1 86 86 ILE H H 1 9.15 0.01 . 1 . . . . 85 ILE H . 15892 1 158 . 1 1 86 86 ILE N N 15 121.98 0.01 . 1 . . . . 85 ILE N . 15892 1 159 . 1 1 87 87 THR H H 1 8.56 0.01 . 1 . . . . 86 THR H . 15892 1 160 . 1 1 87 87 THR N N 15 119.36 0.01 . 1 . . . . 86 THR N . 15892 1 161 . 1 1 88 88 ASP H H 1 8.36 0.01 . 1 . . . . 87 ASP H . 15892 1 162 . 1 1 88 88 ASP N N 15 121.73 0.01 . 1 . . . . 87 ASP N . 15892 1 163 . 1 1 89 89 ASP H H 1 10.34 0.01 . 1 . . . . 88 ASP H . 15892 1 164 . 1 1 89 89 ASP N N 15 124.87 0.01 . 1 . . . . 88 ASP N . 15892 1 165 . 1 1 90 90 ILE H H 1 8.84 0.01 . 1 . . . . 89 ILE H . 15892 1 166 . 1 1 90 90 ILE N N 15 117.41 0.01 . 1 . . . . 89 ILE N . 15892 1 167 . 1 1 91 91 MET H H 1 7.37 0.01 . 1 . . . . 90 MET H . 15892 1 168 . 1 1 91 91 MET N N 15 117.96 0.01 . 1 . . . . 90 MET N . 15892 1 169 . 1 1 92 92 CYS H H 1 7.89 0.01 . 1 . . . . 91 CYS H . 15892 1 170 . 1 1 92 92 CYS N N 15 117.55 0.01 . 1 . . . . 91 CYS N . 15892 1 171 . 1 1 93 93 ALA H H 1 8.73 0.01 . 1 . . . . 92 ALA H . 15892 1 172 . 1 1 93 93 ALA N N 15 123.28 0.01 . 1 . . . . 92 ALA N . 15892 1 173 . 1 1 94 94 LYS H H 1 8.08 0.01 . 1 . . . . 93 LYS H . 15892 1 174 . 1 1 94 94 LYS N N 15 115.42 0.01 . 1 . . . . 93 LYS N . 15892 1 175 . 1 1 95 95 LYS H H 1 6.99 0.01 . 1 . . . . 94 LYS H . 15892 1 176 . 1 1 95 95 LYS N N 15 118.42 0.01 . 1 . . . . 94 LYS N . 15892 1 177 . 1 1 96 96 ILE H H 1 7.69 0.01 . 1 . . . . 95 ILE H . 15892 1 178 . 1 1 96 96 ILE N N 15 119.74 0.01 . 1 . . . . 95 ILE N . 15892 1 179 . 1 1 97 97 LEU H H 1 8.56 0.01 . 1 . . . . 96 LEU H . 15892 1 180 . 1 1 97 97 LEU N N 15 121.15 0.01 . 1 . . . . 96 LEU N . 15892 1 181 . 1 1 98 98 ASP H H 1 8.40 0.01 . 1 . . . . 97 ASP H . 15892 1 182 . 1 1 98 98 ASP N N 15 118.81 0.01 . 1 . . . . 97 ASP N . 15892 1 183 . 1 1 99 99 ILE H H 1 8.11 0.01 . 1 . . . . 98 ILE H . 15892 1 184 . 1 1 99 99 ILE N N 15 118.25 0.01 . 1 . . . . 98 ILE N . 15892 1 185 . 1 1 100 100 LYS H H 1 8.98 0.01 . 1 . . . . 99 LYS H . 15892 1 186 . 1 1 100 100 LYS N N 15 118.56 0.01 . 1 . . . . 99 LYS N . 15892 1 187 . 1 1 101 101 GLY H H 1 8.19 0.01 . 1 . . . . 100 GLY H . 15892 1 188 . 1 1 101 101 GLY N N 15 108.76 0.01 . 1 . . . . 100 GLY N . 15892 1 189 . 1 1 102 102 ILE H H 1 8.51 0.01 . 1 . . . . 101 ILE H . 15892 1 190 . 1 1 102 102 ILE N N 15 117.47 0.01 . 1 . . . . 101 ILE N . 15892 1 191 . 1 1 103 103 ASP H H 1 8.15 0.01 . 1 . . . . 102 ASP H . 15892 1 192 . 1 1 103 103 ASP N N 15 117.28 0.01 . 1 . . . . 102 ASP N . 15892 1 193 . 1 1 104 104 TYR H H 1 7.70 0.01 . 1 . . . . 103 TYR H . 15892 1 194 . 1 1 104 104 TYR N N 15 119.99 0.01 . 1 . . . . 103 TYR N . 15892 1 195 . 1 1 105 105 TRP H H 1 7.62 0.01 . 1 . . . . 104 TRP H . 15892 1 196 . 1 1 105 105 TRP N N 15 116.44 0.01 . 1 . . . . 104 TRP N . 15892 1 197 . 1 1 107 107 ALA H H 1 8.75 0.01 . 1 . . . . 106 ALA H . 15892 1 198 . 1 1 107 107 ALA N N 15 116.67 0.01 . 1 . . . . 106 ALA N . 15892 1 199 . 1 1 108 108 HIS H H 1 7.73 0.01 . 1 . . . . 107 HIS H . 15892 1 200 . 1 1 108 108 HIS N N 15 113.10 0.01 . 1 . . . . 107 HIS N . 15892 1 201 . 1 1 110 110 ALA H H 1 7.22 0.01 . 1 . . . . 109 ALA H . 15892 1 202 . 1 1 110 110 ALA N N 15 118.21 0.01 . 1 . . . . 109 ALA N . 15892 1 203 . 1 1 111 111 LEU H H 1 7.44 0.01 . 1 . . . . 110 LEU H . 15892 1 204 . 1 1 111 111 LEU N N 15 113.36 0.01 . 1 . . . . 110 LEU N . 15892 1 205 . 1 1 112 112 CYS H H 1 7.63 0.01 . 1 . . . . 111 CYS H . 15892 1 206 . 1 1 112 112 CYS N N 15 116.70 0.01 . 1 . . . . 111 CYS N . 15892 1 207 . 1 1 113 113 THR H H 1 7.93 0.01 . 1 . . . . 112 THR H . 15892 1 208 . 1 1 113 113 THR N N 15 104.56 0.01 . 1 . . . . 112 THR N . 15892 1 209 . 1 1 114 114 GLU H H 1 7.64 0.01 . 1 . . . . 113 GLU H . 15892 1 210 . 1 1 114 114 GLU N N 15 118.62 0.01 . 1 . . . . 113 GLU N . 15892 1 211 . 1 1 115 115 LYS H H 1 9.09 0.01 . 1 . . . . 114 LYS H . 15892 1 212 . 1 1 115 115 LYS N N 15 118.15 0.01 . 1 . . . . 114 LYS N . 15892 1 213 . 1 1 116 116 LEU H H 1 8.47 0.01 . 1 . . . . 115 LEU H . 15892 1 214 . 1 1 116 116 LEU N N 15 117.62 0.01 . 1 . . . . 115 LEU N . 15892 1 215 . 1 1 117 117 GLU H H 1 9.22 0.01 . 1 . . . . 116 GLU H . 15892 1 216 . 1 1 117 117 GLU N N 15 119.82 0.01 . 1 . . . . 116 GLU N . 15892 1 217 . 1 1 118 118 GLN H H 1 7.73 0.01 . 1 . . . . 117 GLN H . 15892 1 218 . 1 1 118 118 GLN N N 15 116.01 0.01 . 1 . . . . 117 GLN N . 15892 1 219 . 1 1 119 119 TRP H H 1 7.73 0.01 . 1 . . . . 118 TRP H . 15892 1 220 . 1 1 119 119 TRP N N 15 120.73 0.01 . 1 . . . . 118 TRP N . 15892 1 221 . 1 1 120 120 LEU H H 1 6.98 0.01 . 1 . . . . 119 LEU H . 15892 1 222 . 1 1 120 120 LEU N N 15 118.20 0.01 . 1 . . . . 119 LEU N . 15892 1 223 . 1 1 121 121 CYS H H 1 8.73 0.01 . 1 . . . . 120 CYS H . 15892 1 224 . 1 1 121 121 CYS N N 15 120.75 0.01 . 1 . . . . 120 CYS N . 15892 1 225 . 1 1 122 122 GLU H H 1 8.91 0.01 . 1 . . . . 121 GLU H . 15892 1 226 . 1 1 122 122 GLU N N 15 125.96 0.01 . 1 . . . . 121 GLU N . 15892 1 227 . 1 1 123 123 LYS H H 1 8.20 0.01 . 1 . . . . 122 LYS H . 15892 1 228 . 1 1 123 123 LYS N N 15 122.61 0.01 . 1 . . . . 122 LYS N . 15892 1 229 . 1 1 124 124 LEU H H 1 7.91 0.01 . 1 . . . . 123 LEU H . 15892 1 230 . 1 1 124 124 LEU N N 15 130.34 0.01 . 1 . . . . 123 LEU N . 15892 1 stop_ save_