################################### # 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 27656 _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 . _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 'Methyl sidechain assignment HMCMCGCBCA following Tugarinov & Kay (J Am Chem Soc Vol 125, p.13874, 2003).' _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' . . . 27656 1 2 '3D HNCACB' . . . 27656 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 4 $CARA . . 27656 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.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 GLN H H 1 8.75 0.02 . 1 . . . . . 3 GLN H . 27656 1 2 . 1 1 3 3 GLN N N 15 124.17 0.02 . 1 . . . . . 3 GLN N . 27656 1 3 . 1 1 4 4 LEU H H 1 8.70 0.02 . 1 . . . . . 4 LEU H . 27656 1 4 . 1 1 4 4 LEU N N 15 119.61 0.02 . 1 . . . . . 4 LEU N . 27656 1 5 . 1 1 5 5 ALA H H 1 7.84 0.02 . 1 . . . . . 5 ALA H . 27656 1 6 . 1 1 5 5 ALA N N 15 119.29 0.02 . 1 . . . . . 5 ALA N . 27656 1 7 . 1 1 6 6 LYS H H 1 7.13 0.02 . 1 . . . . . 6 LYS H . 27656 1 8 . 1 1 6 6 LYS N N 15 116.56 0.02 . 1 . . . . . 6 LYS N . 27656 1 9 . 1 1 7 7 ASP H H 1 8.25 0.02 . 1 . . . . . 7 ASP H . 27656 1 10 . 1 1 7 7 ASP N N 15 123.00 0.02 . 1 . . . . . 7 ASP N . 27656 1 11 . 1 1 8 8 ILE H H 1 8.64 0.02 . 1 . . . . . 8 ILE H . 27656 1 12 . 1 1 8 8 ILE N N 15 122.22 0.02 . 1 . . . . . 8 ILE N . 27656 1 13 . 1 1 9 9 ASN H H 1 7.49 0.02 . 1 . . . . . 9 ASN H . 27656 1 14 . 1 1 9 9 ASN N N 15 117.17 0.02 . 1 . . . . . 9 ASN N . 27656 1 15 . 1 1 10 10 ALA H H 1 8.17 0.02 . 1 . . . . . 10 ALA H . 27656 1 16 . 1 1 10 10 ALA N N 15 120.62 0.02 . 1 . . . . . 10 ALA N . 27656 1 17 . 1 1 11 11 PHE H H 1 8.15 0.02 . 1 . . . . . 11 PHE H . 27656 1 18 . 1 1 11 11 PHE N N 15 120.11 0.02 . 1 . . . . . 11 PHE N . 27656 1 19 . 1 1 12 12 LEU H H 1 8.44 0.02 . 1 . . . . . 12 LEU H . 27656 1 20 . 1 1 12 12 LEU N N 15 119.20 0.02 . 1 . . . . . 12 LEU N . 27656 1 21 . 1 1 13 13 ASN H H 1 7.94 0.02 . 1 . . . . . 13 ASN H . 27656 1 22 . 1 1 13 13 ASN N N 15 115.54 0.02 . 1 . . . . . 13 ASN N . 27656 1 23 . 1 1 14 14 GLU H H 1 7.68 0.02 . 1 . . . . . 14 GLU H . 27656 1 24 . 1 1 14 14 GLU N N 15 120.01 0.02 . 1 . . . . . 14 GLU N . 27656 1 25 . 1 1 15 15 VAL H H 1 7.89 0.02 . 1 . . . . . 15 VAL H . 27656 1 26 . 1 1 15 15 VAL N N 15 118.43 0.02 . 1 . . . . . 15 VAL N . 27656 1 27 . 1 1 16 16 ILE H H 1 7.80 0.02 . 1 . . . . . 16 ILE H . 27656 1 28 . 1 1 16 16 ILE N N 15 119.70 0.02 . 1 . . . . . 16 ILE N . 27656 1 29 . 1 1 17 17 LEU H H 1 8.23 0.02 . 1 . . . . . 17 LEU H . 27656 1 30 . 1 1 17 17 LEU N N 15 120.77 0.02 . 1 . . . . . 17 LEU N . 27656 1 31 . 1 1 18 18 GLN H H 1 8.32 0.02 . 1 . . . . . 18 GLN H . 27656 1 32 . 1 1 18 18 GLN N N 15 118.28 0.02 . 1 . . . . . 18 GLN N . 27656 1 33 . 1 1 19 19 ALA H H 1 7.74 0.02 . 1 . . . . . 19 ALA H . 27656 1 34 . 1 1 19 19 ALA N N 15 122.25 0.02 . 1 . . . . . 19 ALA N . 27656 1 35 . 1 1 20 20 GLU H H 1 7.91 0.02 . 1 . . . . . 20 GLU H . 27656 1 36 . 1 1 20 20 GLU N N 15 117.48 0.02 . 1 . . . . . 20 GLU N . 27656 1 37 . 1 1 22 22 GLN H H 1 7.87 0.02 . 1 . . . . . 22 GLN H . 27656 1 38 . 1 1 22 22 GLN N N 15 119.23 0.02 . 1 . . . . . 22 GLN N . 27656 1 39 . 1 1 23 23 HIS H H 1 8.04 0.02 . 1 . . . . . 23 HIS H . 27656 1 40 . 1 1 23 23 HIS N N 15 118.40 0.02 . 1 . . . . . 23 HIS N . 27656 1 41 . 1 1 24 24 GLU H H 1 8.15 0.02 . 1 . . . . . 24 GLU H . 27656 1 42 . 1 1 24 24 GLU N N 15 121.15 0.02 . 1 . . . . . 24 GLU N . 27656 1 43 . 1 1 25 25 ILE H H 1 8.07 0.02 . 1 . . . . . 25 ILE H . 27656 1 44 . 1 1 25 25 ILE N N 15 121.13 0.02 . 1 . . . . . 25 ILE N . 27656 1 45 . 1 1 26 26 LEU H H 1 8.07 0.02 . 1 . . . . . 26 LEU H . 27656 1 46 . 1 1 26 26 LEU N N 15 124.99 0.02 . 1 . . . . . 26 LEU N . 27656 1 47 . 1 1 27 27 ILE H H 1 7.99 0.02 . 1 . . . . . 27 ILE H . 27656 1 48 . 1 1 27 27 ILE N N 15 120.82 0.02 . 1 . . . . . 27 ILE N . 27656 1 49 . 1 1 28 28 GLY H H 1 8.23 0.02 . 1 . . . . . 28 GLY H . 27656 1 50 . 1 1 28 28 GLY N N 15 112.09 0.02 . 1 . . . . . 28 GLY N . 27656 1 51 . 1 1 29 29 HIS H H 1 8.27 0.02 . 1 . . . . . 29 HIS H . 27656 1 52 . 1 1 29 29 HIS N N 15 118.78 0.02 . 1 . . . . . 29 HIS N . 27656 1 53 . 1 1 30 30 CYS H H 1 8.27 0.02 . 1 . . . . . 30 CYS H . 27656 1 54 . 1 1 30 30 CYS N N 15 119.80 0.02 . 1 . . . . . 30 CYS N . 27656 1 55 . 1 1 31 31 THR H H 1 8.27 0.02 . 1 . . . . . 31 THR H . 27656 1 56 . 1 1 31 31 THR N N 15 116.01 0.02 . 1 . . . . . 31 THR N . 27656 1 57 . 1 1 32 32 SER H H 1 8.03 0.02 . 1 . . . . . 32 SER H . 27656 1 58 . 1 1 32 32 SER N N 15 117.27 0.02 . 1 . . . . . 32 SER N . 27656 1 59 . 1 1 33 33 GLU H H 1 8.21 0.02 . 1 . . . . . 33 GLU H . 27656 1 60 . 1 1 33 33 GLU N N 15 122.74 0.02 . 1 . . . . . 33 GLU N . 27656 1 61 . 1 1 34 34 VAL H H 1 8.02 0.02 . 1 . . . . . 34 VAL H . 27656 1 62 . 1 1 34 34 VAL N N 15 121.73 0.02 . 1 . . . . . 34 VAL N . 27656 1 63 . 1 1 35 35 ALA H H 1 8.22 0.02 . 1 . . . . . 35 ALA H . 27656 1 64 . 1 1 35 35 ALA N N 15 129.25 0.02 . 1 . . . . . 35 ALA N . 27656 1 65 . 1 1 36 36 LEU H H 1 8.22 0.02 . 1 . . . . . 36 LEU H . 27656 1 66 . 1 1 36 36 LEU N N 15 123.26 0.02 . 1 . . . . . 36 LEU N . 27656 1 67 . 1 1 41 41 GLU H H 1 8.46 0.02 . 1 . . . . . 41 GLU H . 27656 1 68 . 1 1 41 41 GLU N N 15 119.50 0.02 . 1 . . . . . 41 GLU N . 27656 1 69 . 1 1 42 42 HIS H H 1 8.15 0.02 . 1 . . . . . 42 HIS H . 27656 1 70 . 1 1 42 42 HIS N N 15 116.63 0.02 . 1 . . . . . 42 HIS N . 27656 1 71 . 1 1 43 43 ILE H H 1 8.03 0.02 . 1 . . . . . 43 ILE H . 27656 1 72 . 1 1 43 43 ILE N N 15 122.54 0.02 . 1 . . . . . 43 ILE N . 27656 1 73 . 1 1 44 44 LEU H H 1 7.90 0.02 . 1 . . . . . 44 LEU H . 27656 1 74 . 1 1 44 44 LEU N N 15 118.45 0.02 . 1 . . . . . 44 LEU N . 27656 1 75 . 1 1 45 45 MET H H 1 7.68 0.02 . 1 . . . . . 45 MET H . 27656 1 76 . 1 1 45 45 MET N N 15 114.33 0.02 . 1 . . . . . 45 MET N . 27656 1 77 . 1 1 46 46 LEU H H 1 8.18 0.02 . 1 . . . . . 46 LEU H . 27656 1 78 . 1 1 46 46 LEU N N 15 122.24 0.02 . 1 . . . . . 46 LEU N . 27656 1 79 . 1 1 47 47 LEU H H 1 7.99 0.02 . 1 . . . . . 47 LEU H . 27656 1 80 . 1 1 47 47 LEU N N 15 117.17 0.02 . 1 . . . . . 47 LEU N . 27656 1 81 . 1 1 48 48 SER H H 1 7.65 0.02 . 1 . . . . . 48 SER H . 27656 1 82 . 1 1 48 48 SER N N 15 114.93 0.02 . 1 . . . . . 48 SER N . 27656 1 83 . 1 1 49 49 GLU H H 1 7.42 0.02 . 1 . . . . . 49 GLU H . 27656 1 84 . 1 1 49 49 GLU N N 15 118.89 0.02 . 1 . . . . . 49 GLU N . 27656 1 85 . 1 1 50 50 GLU H H 1 7.63 0.02 . 1 . . . . . 50 GLU H . 27656 1 86 . 1 1 50 50 GLU N N 15 117.68 0.02 . 1 . . . . . 50 GLU N . 27656 1 87 . 1 1 51 51 SER H H 1 8.11 0.02 . 1 . . . . . 51 SER H . 27656 1 88 . 1 1 51 51 SER N N 15 115.14 0.02 . 1 . . . . . 51 SER N . 27656 1 89 . 1 1 52 52 LEU H H 1 6.97 0.02 . 1 . . . . . 52 LEU H . 27656 1 90 . 1 1 52 52 LEU N N 15 122.35 0.02 . 1 . . . . . 52 LEU N . 27656 1 91 . 1 1 53 53 THR H H 1 8.08 0.02 . 1 . . . . . 53 THR H . 27656 1 92 . 1 1 53 53 THR N N 15 110.97 0.02 . 1 . . . . . 53 THR N . 27656 1 93 . 1 1 54 54 ASN H H 1 9.43 0.02 . 1 . . . . . 54 ASN H . 27656 1 94 . 1 1 54 54 ASN N N 15 120.32 0.02 . 1 . . . . . 54 ASN N . 27656 1 95 . 1 1 55 55 SER H H 1 8.29 0.02 . 1 . . . . . 55 SER H . 27656 1 96 . 1 1 55 55 SER N N 15 114.12 0.02 . 1 . . . . . 55 SER N . 27656 1 97 . 1 1 56 56 GLU H H 1 7.72 0.02 . 1 . . . . . 56 GLU H . 27656 1 98 . 1 1 56 56 GLU N N 15 123.65 0.02 . 1 . . . . . 56 GLU N . 27656 1 99 . 1 1 57 57 MET H H 1 8.12 0.02 . 1 . . . . . 57 MET H . 27656 1 100 . 1 1 57 57 MET N N 15 118.79 0.02 . 1 . . . . . 57 MET N . 27656 1 101 . 1 1 58 58 ALA H H 1 7.95 0.02 . 1 . . . . . 58 ALA H . 27656 1 102 . 1 1 58 58 ALA N N 15 120.16 0.02 . 1 . . . . . 58 ALA N . 27656 1 103 . 1 1 59 59 ARG H H 1 7.55 0.02 . 1 . . . . . 59 ARG H . 27656 1 104 . 1 1 59 59 ARG N N 15 117.06 0.02 . 1 . . . . . 59 ARG N . 27656 1 105 . 1 1 60 60 ARG H H 1 8.14 0.02 . 1 . . . . . 60 ARG H . 27656 1 106 . 1 1 60 60 ARG N N 15 117.87 0.02 . 1 . . . . . 60 ARG N . 27656 1 107 . 1 1 61 61 LEU H H 1 7.78 0.02 . 1 . . . . . 61 LEU H . 27656 1 108 . 1 1 61 61 LEU N N 15 116.25 0.02 . 1 . . . . . 61 LEU N . 27656 1 109 . 1 1 62 62 ASN H H 1 7.81 0.02 . 1 . . . . . 62 ASN H . 27656 1 110 . 1 1 62 62 ASN N N 15 117.06 0.02 . 1 . . . . . 62 ASN N . 27656 1 111 . 1 1 63 63 VAL H H 1 7.52 0.02 . 1 . . . . . 63 VAL H . 27656 1 112 . 1 1 63 63 VAL N N 15 110.07 0.02 . 1 . . . . . 63 VAL N . 27656 1 113 . 1 1 64 64 SER H H 1 8.15 0.02 . 1 . . . . . 64 SER H . 27656 1 114 . 1 1 64 64 SER N N 15 115.64 0.02 . 1 . . . . . 64 SER N . 27656 1 115 . 1 1 65 65 GLN H H 1 8.81 0.02 . 1 . . . . . 65 GLN H . 27656 1 116 . 1 1 65 65 GLN N N 15 121.33 0.02 . 1 . . . . . 65 GLN N . 27656 1 117 . 1 1 66 66 ALA H H 1 8.36 0.02 . 1 . . . . . 66 ALA H . 27656 1 118 . 1 1 66 66 ALA N N 15 122.55 0.02 . 1 . . . . . 66 ALA N . 27656 1 119 . 1 1 67 67 ALA H H 1 7.80 0.02 . 1 . . . . . 67 ALA H . 27656 1 120 . 1 1 67 67 ALA N N 15 122.73 0.02 . 1 . . . . . 67 ALA N . 27656 1 121 . 1 1 68 68 VAL H H 1 7.65 0.02 . 1 . . . . . 68 VAL H . 27656 1 122 . 1 1 68 68 VAL N N 15 119.50 0.02 . 1 . . . . . 68 VAL N . 27656 1 123 . 1 1 69 69 THR H H 1 8.61 0.02 . 1 . . . . . 69 THR H . 27656 1 124 . 1 1 69 69 THR N N 15 118.18 0.02 . 1 . . . . . 69 THR N . 27656 1 125 . 1 1 70 70 LYS H H 1 7.64 0.02 . 1 . . . . . 70 LYS H . 27656 1 126 . 1 1 70 70 LYS N N 15 121.43 0.02 . 1 . . . . . 70 LYS N . 27656 1 127 . 1 1 71 71 ALA H H 1 7.43 0.02 . 1 . . . . . 71 ALA H . 27656 1 128 . 1 1 71 71 ALA N N 15 122.17 0.02 . 1 . . . . . 71 ALA N . 27656 1 129 . 1 1 72 72 ILE H H 1 8.60 0.02 . 1 . . . . . 72 ILE H . 27656 1 130 . 1 1 72 72 ILE N N 15 118.69 0.02 . 1 . . . . . 72 ILE N . 27656 1 131 . 1 1 73 73 LYS H H 1 8.05 0.02 . 1 . . . . . 73 LYS H . 27656 1 132 . 1 1 73 73 LYS N N 15 119.60 0.02 . 1 . . . . . 73 LYS N . 27656 1 133 . 1 1 74 74 SER H H 1 7.30 0.02 . 1 . . . . . 74 SER H . 27656 1 134 . 1 1 74 74 SER N N 15 113.35 0.02 . 1 . . . . . 74 SER N . 27656 1 135 . 1 1 75 75 LEU H H 1 7.66 0.02 . 1 . . . . . 75 LEU H . 27656 1 136 . 1 1 75 75 LEU N N 15 121.26 0.02 . 1 . . . . . 75 LEU N . 27656 1 137 . 1 1 76 76 VAL H H 1 8.87 0.02 . 1 . . . . . 76 VAL H . 27656 1 138 . 1 1 76 76 VAL N N 15 122.10 0.02 . 1 . . . . . 76 VAL N . 27656 1 139 . 1 1 77 77 LYS H H 1 7.70 0.02 . 1 . . . . . 77 LYS H . 27656 1 140 . 1 1 77 77 LYS N N 15 123.56 0.02 . 1 . . . . . 77 LYS N . 27656 1 141 . 1 1 78 78 GLU H H 1 7.64 0.02 . 1 . . . . . 78 GLU H . 27656 1 142 . 1 1 78 78 GLU N N 15 114.52 0.02 . 1 . . . . . 78 GLU N . 27656 1 143 . 1 1 79 79 GLY H H 1 7.86 0.02 . 1 . . . . . 79 GLY H . 27656 1 144 . 1 1 79 79 GLY N N 15 106.60 0.02 . 1 . . . . . 79 GLY N . 27656 1 145 . 1 1 80 80 MET H H 1 8.29 0.02 . 1 . . . . . 80 MET H . 27656 1 146 . 1 1 80 80 MET N N 15 116.67 0.02 . 1 . . . . . 80 MET N . 27656 1 147 . 1 1 81 81 LEU H H 1 6.66 0.02 . 1 . . . . . 81 LEU H . 27656 1 148 . 1 1 81 81 LEU N N 15 115.54 0.02 . 1 . . . . . 81 LEU N . 27656 1 149 . 1 1 82 82 GLU H H 1 8.91 0.02 . 1 . . . . . 82 GLU H . 27656 1 150 . 1 1 82 82 GLU N N 15 118.00 0.02 . 1 . . . . . 82 GLU N . 27656 1 151 . 1 1 83 83 THR H H 1 8.21 0.02 . 1 . . . . . 83 THR H . 27656 1 152 . 1 1 83 83 THR N N 15 112.49 0.02 . 1 . . . . . 83 THR N . 27656 1 153 . 1 1 84 84 SER H H 1 8.44 0.02 . 1 . . . . . 84 SER H . 27656 1 154 . 1 1 84 84 SER N N 15 117.29 0.02 . 1 . . . . . 84 SER N . 27656 1 155 . 1 1 85 85 LYS H H 1 8.41 0.02 . 1 . . . . . 85 LYS H . 27656 1 156 . 1 1 85 85 LYS N N 15 123.97 0.02 . 1 . . . . . 85 LYS N . 27656 1 157 . 1 1 86 86 ASP H H 1 8.24 0.02 . 1 . . . . . 86 ASP H . 27656 1 158 . 1 1 86 86 ASP N N 15 121.55 0.02 . 1 . . . . . 86 ASP N . 27656 1 159 . 1 1 87 87 SER H H 1 7.95 0.02 . 1 . . . . . 87 SER H . 27656 1 160 . 1 1 87 87 SER N N 15 117.27 0.02 . 1 . . . . . 87 SER N . 27656 1 161 . 1 1 88 88 LYS H H 1 8.24 0.02 . 1 . . . . . 88 LYS H . 27656 1 162 . 1 1 88 88 LYS N N 15 122.86 0.02 . 1 . . . . . 88 LYS N . 27656 1 163 . 1 1 89 89 ASP H H 1 8.01 0.02 . 1 . . . . . 89 ASP H . 27656 1 164 . 1 1 89 89 ASP N N 15 119.80 0.02 . 1 . . . . . 89 ASP N . 27656 1 165 . 1 1 90 90 ALA H H 1 8.17 0.02 . 1 . . . . . 90 ALA H . 27656 1 166 . 1 1 90 90 ALA N N 15 125.57 0.02 . 1 . . . . . 90 ALA N . 27656 1 167 . 1 1 91 91 ARG H H 1 8.23 0.02 . 1 . . . . . 91 ARG H . 27656 1 168 . 1 1 91 91 ARG N N 15 116.35 0.02 . 1 . . . . . 91 ARG N . 27656 1 169 . 1 1 92 92 VAL H H 1 7.62 0.02 . 1 . . . . . 92 VAL H . 27656 1 170 . 1 1 92 92 VAL N N 15 120.01 0.02 . 1 . . . . . 92 VAL N . 27656 1 171 . 1 1 93 93 ILE H H 1 7.62 0.02 . 1 . . . . . 93 ILE H . 27656 1 172 . 1 1 93 93 ILE N N 15 125.70 0.02 . 1 . . . . . 93 ILE N . 27656 1 173 . 1 1 94 94 PHE H H 1 8.35 0.02 . 1 . . . . . 94 PHE H . 27656 1 174 . 1 1 94 94 PHE N N 15 125.39 0.02 . 1 . . . . . 94 PHE N . 27656 1 175 . 1 1 95 95 TYR H H 1 8.32 0.02 . 1 . . . . . 95 TYR H . 27656 1 176 . 1 1 95 95 TYR N N 15 119.03 0.02 . 1 . . . . . 95 TYR N . 27656 1 177 . 1 1 96 96 GLN H H 1 8.73 0.02 . 1 . . . . . 96 GLN H . 27656 1 178 . 1 1 96 96 GLN N N 15 115.94 0.02 . 1 . . . . . 96 GLN N . 27656 1 179 . 1 1 97 97 LEU H H 1 8.44 0.02 . 1 . . . . . 97 LEU H . 27656 1 180 . 1 1 97 97 LEU N N 15 120.21 0.02 . 1 . . . . . 97 LEU N . 27656 1 181 . 1 1 98 98 THR H H 1 7.28 0.02 . 1 . . . . . 98 THR H . 27656 1 182 . 1 1 98 98 THR N N 15 110.87 0.02 . 1 . . . . . 98 THR N . 27656 1 183 . 1 1 99 99 ASP H H 1 8.66 0.02 . 1 . . . . . 99 ASP H . 27656 1 184 . 1 1 99 99 ASP N N 15 119.73 0.02 . 1 . . . . . 99 ASP N . 27656 1 185 . 1 1 100 100 LEU H H 1 7.72 0.02 . 1 . . . . . 100 LEU H . 27656 1 186 . 1 1 100 100 LEU N N 15 119.41 0.02 . 1 . . . . . 100 LEU N . 27656 1 187 . 1 1 101 101 ALA H H 1 7.08 0.02 . 1 . . . . . 101 ALA H . 27656 1 188 . 1 1 101 101 ALA N N 15 117.37 0.02 . 1 . . . . . 101 ALA N . 27656 1 189 . 1 1 102 102 ARG H H 1 7.68 0.02 . 1 . . . . . 102 ARG H . 27656 1 190 . 1 1 102 102 ARG N N 15 119.19 0.02 . 1 . . . . . 102 ARG N . 27656 1 191 . 1 1 104 104 ILE H H 1 6.68 0.02 . 1 . . . . . 104 ILE H . 27656 1 192 . 1 1 104 104 ILE N N 15 118.99 0.02 . 1 . . . . . 104 ILE N . 27656 1 193 . 1 1 105 105 ALA H H 1 8.32 0.02 . 1 . . . . . 105 ALA H . 27656 1 194 . 1 1 105 105 ALA N N 15 123.11 0.02 . 1 . . . . . 105 ALA N . 27656 1 195 . 1 1 106 106 GLU H H 1 8.10 0.02 . 1 . . . . . 106 GLU H . 27656 1 196 . 1 1 106 106 GLU N N 15 117.89 0.02 . 1 . . . . . 106 GLU N . 27656 1 197 . 1 1 107 107 GLU H H 1 7.85 0.02 . 1 . . . . . 107 GLU H . 27656 1 198 . 1 1 107 107 GLU N N 15 120.83 0.02 . 1 . . . . . 107 GLU N . 27656 1 199 . 1 1 108 108 HIS H H 1 8.35 0.02 . 1 . . . . . 108 HIS H . 27656 1 200 . 1 1 108 108 HIS N N 15 118.56 0.02 . 1 . . . . . 108 HIS N . 27656 1 201 . 1 1 109 109 HIS H H 1 8.69 0.02 . 1 . . . . . 109 HIS H . 27656 1 202 . 1 1 109 109 HIS N N 15 121.27 0.02 . 1 . . . . . 109 HIS N . 27656 1 203 . 1 1 110 110 HIS H H 1 8.34 0.02 . 1 . . . . . 110 HIS H . 27656 1 204 . 1 1 110 110 HIS N N 15 118.68 0.02 . 1 . . . . . 110 HIS N . 27656 1 205 . 1 1 111 111 HIS H H 1 8.34 0.02 . 1 . . . . . 111 HIS H . 27656 1 206 . 1 1 111 111 HIS N N 15 119.91 0.02 . 1 . . . . . 111 HIS N . 27656 1 207 . 1 1 112 112 HIS H H 1 8.39 0.02 . 1 . . . . . 112 HIS H . 27656 1 208 . 1 1 112 112 HIS N N 15 120.05 0.02 . 1 . . . . . 112 HIS N . 27656 1 209 . 1 1 113 113 GLU H H 1 8.09 0.02 . 1 . . . . . 113 GLU H . 27656 1 210 . 1 1 113 113 GLU N N 15 119.91 0.02 . 1 . . . . . 113 GLU N . 27656 1 211 . 1 1 114 114 HIS H H 1 7.69 0.02 . 1 . . . . . 114 HIS H . 27656 1 212 . 1 1 114 114 HIS N N 15 118.08 0.02 . 1 . . . . . 114 HIS N . 27656 1 213 . 1 1 115 115 THR H H 1 8.09 0.02 . 1 . . . . . 115 THR H . 27656 1 214 . 1 1 115 115 THR N N 15 117.88 0.02 . 1 . . . . . 115 THR N . 27656 1 215 . 1 1 116 116 LEU H H 1 7.58 0.02 . 1 . . . . . 116 LEU H . 27656 1 216 . 1 1 116 116 LEU N N 15 121.23 0.02 . 1 . . . . . 116 LEU N . 27656 1 217 . 1 1 117 117 LEU H H 1 7.18 0.02 . 1 . . . . . 117 LEU H . 27656 1 218 . 1 1 117 117 LEU N N 15 118.38 0.02 . 1 . . . . . 117 LEU N . 27656 1 219 . 1 1 118 118 THR H H 1 7.55 0.02 . 1 . . . . . 118 THR H . 27656 1 220 . 1 1 118 118 THR N N 15 117.37 0.02 . 1 . . . . . 118 THR N . 27656 1 221 . 1 1 119 119 TYR H H 1 7.60 0.02 . 1 . . . . . 119 TYR H . 27656 1 222 . 1 1 119 119 TYR N N 15 122.10 0.02 . 1 . . . . . 119 TYR N . 27656 1 223 . 1 1 120 120 GLU H H 1 8.22 0.02 . 1 . . . . . 120 GLU H . 27656 1 224 . 1 1 120 120 GLU N N 15 121.53 0.02 . 1 . . . . . 120 GLU N . 27656 1 225 . 1 1 121 121 GLN H H 1 7.84 0.02 . 1 . . . . . 121 GLN H . 27656 1 226 . 1 1 121 121 GLN N N 15 119.71 0.02 . 1 . . . . . 121 GLN N . 27656 1 227 . 1 1 122 122 VAL H H 1 7.89 0.02 . 1 . . . . . 122 VAL H . 27656 1 228 . 1 1 122 122 VAL N N 15 120.37 0.02 . 1 . . . . . 122 VAL N . 27656 1 229 . 1 1 123 123 ALA H H 1 8.26 0.02 . 1 . . . . . 123 ALA H . 27656 1 230 . 1 1 123 123 ALA N N 15 120.31 0.02 . 1 . . . . . 123 ALA N . 27656 1 231 . 1 1 124 124 THR H H 1 7.77 0.02 . 1 . . . . . 124 THR H . 27656 1 232 . 1 1 124 124 THR N N 15 105.89 0.02 . 1 . . . . . 124 THR N . 27656 1 233 . 1 1 125 125 GLN H H 1 7.52 0.02 . 1 . . . . . 125 GLN H . 27656 1 234 . 1 1 125 125 GLN N N 15 119.29 0.02 . 1 . . . . . 125 GLN N . 27656 1 235 . 1 1 126 126 PHE H H 1 7.63 0.02 . 1 . . . . . 126 PHE H . 27656 1 236 . 1 1 126 126 PHE N N 15 119.10 0.02 . 1 . . . . . 126 PHE N . 27656 1 237 . 1 1 127 127 THR H H 1 9.43 0.02 . 1 . . . . . 127 THR H . 27656 1 238 . 1 1 127 127 THR N N 15 117.29 0.02 . 1 . . . . . 127 THR N . 27656 1 239 . 1 1 129 129 ASN H H 1 8.49 0.02 . 1 . . . . . 129 ASN H . 27656 1 240 . 1 1 129 129 ASN N N 15 115.44 0.02 . 1 . . . . . 129 ASN N . 27656 1 241 . 1 1 130 130 GLU H H 1 7.75 0.02 . 1 . . . . . 130 GLU H . 27656 1 242 . 1 1 130 130 GLU N N 15 122.15 0.02 . 1 . . . . . 130 GLU N . 27656 1 243 . 1 1 131 131 GLN H H 1 9.01 0.02 . 1 . . . . . 131 GLN H . 27656 1 244 . 1 1 131 131 GLN N N 15 118.08 0.02 . 1 . . . . . 131 GLN N . 27656 1 245 . 1 1 132 132 LYS H H 1 7.32 0.02 . 1 . . . . . 132 LYS H . 27656 1 246 . 1 1 132 132 LYS N N 15 117.88 0.02 . 1 . . . . . 132 LYS N . 27656 1 247 . 1 1 133 133 VAL H H 1 7.15 0.02 . 1 . . . . . 133 VAL H . 27656 1 248 . 1 1 133 133 VAL N N 15 121.33 0.02 . 1 . . . . . 133 VAL N . 27656 1 249 . 1 1 134 134 ILE H H 1 7.57 0.02 . 1 . . . . . 134 ILE H . 27656 1 250 . 1 1 134 134 ILE N N 15 119.41 0.02 . 1 . . . . . 134 ILE N . 27656 1 251 . 1 1 135 135 GLN H H 1 8.34 0.02 . 1 . . . . . 135 GLN H . 27656 1 252 . 1 1 135 135 GLN N N 15 118.92 0.02 . 1 . . . . . 135 GLN N . 27656 1 253 . 1 1 136 136 ARG H H 1 7.78 0.02 . 1 . . . . . 136 ARG H . 27656 1 254 . 1 1 136 136 ARG N N 15 120.52 0.02 . 1 . . . . . 136 ARG N . 27656 1 255 . 1 1 137 137 PHE H H 1 8.21 0.02 . 1 . . . . . 137 PHE H . 27656 1 256 . 1 1 137 137 PHE N N 15 122.30 0.02 . 1 . . . . . 137 PHE N . 27656 1 257 . 1 1 138 138 LEU H H 1 8.35 0.02 . 1 . . . . . 138 LEU H . 27656 1 258 . 1 1 138 138 LEU N N 15 119.19 0.02 . 1 . . . . . 138 LEU N . 27656 1 259 . 1 1 139 139 THR H H 1 7.69 0.02 . 1 . . . . . 139 THR H . 27656 1 260 . 1 1 139 139 THR N N 15 113.71 0.02 . 1 . . . . . 139 THR N . 27656 1 261 . 1 1 140 140 ALA H H 1 7.94 0.02 . 1 . . . . . 140 ALA H . 27656 1 262 . 1 1 140 140 ALA N N 15 124.89 0.02 . 1 . . . . . 140 ALA N . 27656 1 263 . 1 1 141 141 LEU H H 1 8.07 0.02 . 1 . . . . . 141 LEU H . 27656 1 264 . 1 1 141 141 LEU N N 15 117.63 0.02 . 1 . . . . . 141 LEU N . 27656 1 265 . 1 1 142 142 VAL H H 1 7.98 0.02 . 1 . . . . . 142 VAL H . 27656 1 266 . 1 1 142 142 VAL N N 15 116.34 0.02 . 1 . . . . . 142 VAL N . 27656 1 267 . 1 1 143 143 GLY H H 1 7.57 0.02 . 1 . . . . . 143 GLY H . 27656 1 268 . 1 1 143 143 GLY N N 15 107.47 0.02 . 1 . . . . . 143 GLY N . 27656 1 269 . 1 1 144 144 GLU H H 1 7.65 0.02 . 1 . . . . . 144 GLU H . 27656 1 270 . 1 1 144 144 GLU N N 15 117.58 0.02 . 1 . . . . . 144 GLU N . 27656 1 271 . 1 1 145 145 ILE H H 1 7.54 0.02 . 1 . . . . . 145 ILE H . 27656 1 272 . 1 1 145 145 ILE N N 15 119.45 0.02 . 1 . . . . . 145 ILE N . 27656 1 273 . 1 1 146 146 LYS H H 1 7.50 0.02 . 1 . . . . . 146 LYS H . 27656 1 274 . 1 1 146 146 LYS N N 15 128.63 0.02 . 1 . . . . . 146 LYS N . 27656 1 stop_ save_