################################### # 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 30694 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '3D HNCACB' . . . 30694 1 2 '3D CBCA(CO)NH' . . . 30694 1 3 '3D HNCO' . . . 30694 1 4 '3D NOESY 15N HSQC' . . . 30694 1 5 '2D 15N HSQC' . . . 30694 1 6 '2D 13C HSQC' . . . 30694 1 7 '3D CCH-TOCSY' . . . 30694 1 8 '3D NOESY 13C HSQC' . . . 30694 1 9 'F1 13C 15N filtered 3D NOESY 13C HSQC' . . . 30694 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 1 1 MET H H 1 8.120 0.001 . 1 . . . . A 1 MET H1 . 30694 1 2 . 1 1 1 1 MET N N 15 122.43 0.02 . 1 . . . . A 1 MET N . 30694 1 3 . 1 1 2 2 THR H H 1 8.605 0.001 . 1 . . . . A 2 THR H . 30694 1 4 . 1 1 2 2 THR N N 15 122.53 0.02 . 1 . . . . A 2 THR N . 30694 1 5 . 1 1 3 3 GLU H H 1 8.284 0.001 . 1 . . . . A 3 GLU H . 30694 1 6 . 1 1 3 3 GLU N N 15 126.53 0.02 . 1 . . . . A 3 GLU N . 30694 1 7 . 1 1 4 4 TYR H H 1 8.666 0.001 . 1 . . . . A 4 TYR H . 30694 1 8 . 1 1 4 4 TYR N N 15 121.75 0.02 . 1 . . . . A 4 TYR N . 30694 1 9 . 1 1 5 5 LYS H H 1 9.157 0.001 . 1 . . . . A 5 LYS H . 30694 1 10 . 1 1 5 5 LYS N N 15 124.38 0.02 . 1 . . . . A 5 LYS N . 30694 1 11 . 1 1 6 6 LEU H H 1 9.512 0.001 . 1 . . . . A 6 LEU H . 30694 1 12 . 1 1 6 6 LEU N N 15 126.28 0.02 . 1 . . . . A 6 LEU N . 30694 1 13 . 1 1 7 7 VAL H H 1 7.936 0.001 . 1 . . . . A 7 VAL H . 30694 1 14 . 1 1 7 7 VAL N N 15 120.38 0.02 . 1 . . . . A 7 VAL N . 30694 1 15 . 1 1 8 8 VAL H H 1 8.959 0.001 . 1 . . . . A 8 VAL H . 30694 1 16 . 1 1 8 8 VAL N N 15 129.00 0.02 . 1 . . . . A 8 VAL N . 30694 1 17 . 1 1 9 9 VAL H H 1 9.185 0.001 . 1 . . . . A 9 VAL H . 30694 1 18 . 1 1 9 9 VAL N N 15 120.66 0.02 . 1 . . . . A 9 VAL N . 30694 1 19 . 1 1 10 10 GLY H H 1 7.151 0.001 . 1 . . . . A 10 GLY H . 30694 1 20 . 1 1 10 10 GLY N N 15 107.53 0.02 . 1 . . . . A 10 GLY N . 30694 1 21 . 1 1 11 11 ALA H H 1 9.212 0.001 . 1 . . . . A 11 ALA H . 30694 1 22 . 1 1 11 11 ALA N N 15 123.72 0.02 . 1 . . . . A 11 ALA N . 30694 1 23 . 1 1 12 12 GLY H H 1 8.645 0.001 . 1 . . . . A 12 GLY H . 30694 1 24 . 1 1 12 12 GLY N N 15 106.38 0.02 . 1 . . . . A 12 GLY N . 30694 1 25 . 1 1 13 13 GLY H H 1 10.563 0.001 . 1 . . . . A 13 GLY H . 30694 1 26 . 1 1 13 13 GLY N N 15 115.13 0.02 . 1 . . . . A 13 GLY N . 30694 1 27 . 1 1 14 14 VAL H H 1 7.697 0.001 . 1 . . . . A 14 VAL H . 30694 1 28 . 1 1 14 14 VAL N N 15 113.34 0.02 . 1 . . . . A 14 VAL N . 30694 1 29 . 1 1 15 15 GLY H H 1 8.625 0.001 . 1 . . . . A 15 GLY H . 30694 1 30 . 1 1 15 15 GLY N N 15 109.59 0.02 . 1 . . . . A 15 GLY N . 30694 1 31 . 1 1 16 16 LYS H H 1 10.611 0.001 . 1 . . . . A 16 LYS H . 30694 1 32 . 1 1 16 16 LYS N N 15 125.44 0.02 . 1 . . . . A 16 LYS N . 30694 1 33 . 1 1 17 17 SER H H 1 9.349 0.001 . 1 . . . . A 17 SER H . 30694 1 34 . 1 1 17 17 SER N N 15 120.47 0.02 . 1 . . . . A 17 SER N . 30694 1 35 . 1 1 18 18 ALA H H 1 9.519 0.001 . 1 . . . . A 18 ALA H . 30694 1 36 . 1 1 18 18 ALA N N 15 125.44 0.02 . 1 . . . . A 18 ALA N . 30694 1 37 . 1 1 19 19 LEU H H 1 9.055 0.001 . 1 . . . . A 19 LEU H . 30694 1 38 . 1 1 19 19 LEU N N 15 120.41 0.02 . 1 . . . . A 19 LEU N . 30694 1 39 . 1 1 20 20 THR H H 1 7.672 0.001 . 1 . . . . A 20 THR H . 30694 1 40 . 1 1 20 20 THR N N 15 117.03 0.02 . 1 . . . . A 20 THR N . 30694 1 41 . 1 1 21 21 ILE H H 1 8.898 0.001 . 1 . . . . A 21 ILE H . 30694 1 42 . 1 1 21 21 ILE N N 15 120.66 0.02 . 1 . . . . A 21 ILE N . 30694 1 43 . 1 1 22 22 GLN H H 1 7.901 0.001 . 1 . . . . A 22 GLN H . 30694 1 44 . 1 1 22 22 GLN N N 15 120.91 0.02 . 1 . . . . A 22 GLN N . 30694 1 45 . 1 1 23 23 LEU H H 1 7.700 0.001 . 1 . . . . A 23 LEU H . 30694 1 46 . 1 1 23 23 LEU N N 15 120.72 0.02 . 1 . . . . A 23 LEU N . 30694 1 47 . 1 1 24 24 ILE H H 1 8.052 0.001 . 1 . . . . A 24 ILE H . 30694 1 48 . 1 1 24 24 ILE N N 15 114.09 0.02 . 1 . . . . A 24 ILE N . 30694 1 49 . 1 1 25 25 GLN H H 1 9.021 0.001 . 1 . . . . A 25 GLN H . 30694 1 50 . 1 1 25 25 GLN N N 15 116.19 0.02 . 1 . . . . A 25 GLN N . 30694 1 51 . 1 1 26 26 ASN H H 1 8.004 0.001 . 1 . . . . A 26 ASN H . 30694 1 52 . 1 1 26 26 ASN N N 15 116.10 0.02 . 1 . . . . A 26 ASN N . 30694 1 53 . 1 1 27 27 HIS H H 1 6.775 0.001 . 1 . . . . A 27 HIS H . 30694 1 54 . 1 1 27 27 HIS N N 15 111.97 0.02 . 1 . . . . A 27 HIS N . 30694 1 55 . 1 1 28 28 PHE H H 1 8.448 0.001 . 1 . . . . A 28 PHE H . 30694 1 56 . 1 1 28 28 PHE N N 15 122.13 0.02 . 1 . . . . A 28 PHE N . 30694 1 57 . 1 1 29 29 VAL H H 1 7.738 0.001 . 1 . . . . A 29 VAL H . 30694 1 58 . 1 1 29 29 VAL N N 15 125.85 0.02 . 1 . . . . A 29 VAL N . 30694 1 59 . 1 1 30 30 ASP H H 1 7.779 0.001 . 1 . . . . A 30 ASP H . 30694 1 60 . 1 1 30 30 ASP N N 15 122.25 0.02 . 1 . . . . A 30 ASP N . 30694 1 61 . 1 1 31 31 GLU H H 1 7.690 0.001 . 1 . . . . A 31 GLU H . 30694 1 62 . 1 1 31 31 GLU N N 15 119.19 0.02 . 1 . . . . A 31 GLU N . 30694 1 63 . 1 1 32 32 TYR H H 1 8.802 0.001 . 1 . . . . A 32 TYR H . 30694 1 64 . 1 1 32 32 TYR N N 15 125.69 0.02 . 1 . . . . A 32 TYR N . 30694 1 65 . 1 1 33 33 ASP H H 1 7.915 0.001 . 1 . . . . A 33 ASP H . 30694 1 66 . 1 1 33 33 ASP N N 15 128.91 0.02 . 1 . . . . A 33 ASP N . 30694 1 67 . 1 1 35 35 THR H H 1 9.014 0.001 . 1 . . . . A 35 THR H . 30694 1 68 . 1 1 35 35 THR N N 15 110.03 0.02 . 1 . . . . A 35 THR N . 30694 1 69 . 1 1 36 36 ILE H H 1 6.850 0.001 . 1 . . . . A 36 ILE H . 30694 1 70 . 1 1 36 36 ILE N N 15 120.94 0.02 . 1 . . . . A 36 ILE N . 30694 1 71 . 1 1 37 37 GLU H H 1 8.434 0.001 . 1 . . . . A 37 GLU H . 30694 1 72 . 1 1 37 37 GLU N N 15 132.03 0.02 . 1 . . . . A 37 GLU N . 30694 1 73 . 1 1 38 38 ASP H H 1 8.174 0.001 . 1 . . . . A 38 ASP H . 30694 1 74 . 1 1 38 38 ASP N N 15 124.50 0.02 . 1 . . . . A 38 ASP N . 30694 1 75 . 1 1 39 39 SER H H 1 8.475 0.001 . 1 . . . . A 39 SER H . 30694 1 76 . 1 1 39 39 SER N N 15 113.94 0.02 . 1 . . . . A 39 SER N . 30694 1 77 . 1 1 40 40 TYR H H 1 9.089 0.001 . 1 . . . . A 40 TYR H . 30694 1 78 . 1 1 40 40 TYR N N 15 121.19 0.02 . 1 . . . . A 40 TYR N . 30694 1 79 . 1 1 41 41 ARG H H 1 8.407 0.001 . 1 . . . . A 41 ARG H . 30694 1 80 . 1 1 41 41 ARG N N 15 120.10 0.02 . 1 . . . . A 41 ARG N . 30694 1 81 . 1 1 42 42 LYS H H 1 8.666 0.001 . 1 . . . . A 42 LYS H . 30694 1 82 . 1 1 42 42 LYS N N 15 121.75 0.02 . 1 . . . . A 42 LYS N . 30694 1 83 . 1 1 43 43 GLN H H 1 8.843 0.001 . 1 . . . . A 43 GLN H . 30694 1 84 . 1 1 43 43 GLN N N 15 128.82 0.02 . 1 . . . . A 43 GLN N . 30694 1 85 . 1 1 44 44 VAL H H 1 9.089 0.001 . 1 . . . . A 44 VAL H . 30694 1 86 . 1 1 44 44 VAL N N 15 121.19 0.02 . 1 . . . . A 44 VAL N . 30694 1 87 . 1 1 45 45 VAL H H 1 8.134 0.001 . 1 . . . . A 45 VAL H . 30694 1 88 . 1 1 45 45 VAL N N 15 121.50 0.02 . 1 . . . . A 45 VAL N . 30694 1 89 . 1 1 46 46 ILE H H 1 8.229 0.001 . 1 . . . . A 46 ILE H . 30694 1 90 . 1 1 46 46 ILE N N 15 125.78 0.02 . 1 . . . . A 46 ILE N . 30694 1 91 . 1 1 47 47 ASP H H 1 9.533 0.001 . 1 . . . . A 47 ASP H . 30694 1 92 . 1 1 47 47 ASP N N 15 130.32 0.02 . 1 . . . . A 47 ASP N . 30694 1 93 . 1 1 49 49 GLU H H 1 7.697 0.001 . 1 . . . . A 49 GLU H . 30694 1 94 . 1 1 49 49 GLU N N 15 122.28 0.02 . 1 . . . . A 49 GLU N . 30694 1 95 . 1 1 50 50 THR H H 1 8.946 0.001 . 1 . . . . A 50 THR H . 30694 1 96 . 1 1 50 50 THR N N 15 125.66 0.02 . 1 . . . . A 50 THR N . 30694 1 97 . 1 1 51 51 CYS H H 1 9.383 0.001 . 1 . . . . A 51 CYS H . 30694 1 98 . 1 1 51 51 CYS N N 15 124.00 0.02 . 1 . . . . A 51 CYS N . 30694 1 99 . 1 1 52 52 LEU H H 1 8.809 0.001 . 1 . . . . A 52 LEU H . 30694 1 100 . 1 1 52 52 LEU N N 15 122.38 0.02 . 1 . . . . A 52 LEU N . 30694 1 101 . 1 1 53 53 LEU H H 1 9.055 0.001 . 1 . . . . A 53 LEU H . 30694 1 102 . 1 1 53 53 LEU N N 15 123.50 0.02 . 1 . . . . A 53 LEU N . 30694 1 103 . 1 1 54 54 ASP H H 1 8.802 0.001 . 1 . . . . A 54 ASP H . 30694 1 104 . 1 1 54 54 ASP N N 15 125.69 0.02 . 1 . . . . A 54 ASP N . 30694 1 105 . 1 1 55 55 ILE H H 1 9.260 0.001 . 1 . . . . A 55 ILE H . 30694 1 106 . 1 1 55 55 ILE N N 15 124.06 0.02 . 1 . . . . A 55 ILE N . 30694 1 107 . 1 1 56 56 LEU H H 1 8.816 0.001 . 1 . . . . A 56 LEU H . 30694 1 108 . 1 1 56 56 LEU N N 15 127.85 0.02 . 1 . . . . A 56 LEU N . 30694 1 109 . 1 1 57 57 ASP H H 1 8.495 0.001 . 1 . . . . A 57 ASP H . 30694 1 110 . 1 1 57 57 ASP N N 15 129.25 0.02 . 1 . . . . A 57 ASP N . 30694 1 111 . 1 1 58 58 THR H H 1 6.775 0.001 . 1 . . . . A 58 THR H . 30694 1 112 . 1 1 58 58 THR N N 15 110.19 0.02 . 1 . . . . A 58 THR N . 30694 1 113 . 1 1 59 59 ALA H H 1 9.192 0.001 . 1 . . . . A 59 ALA H . 30694 1 114 . 1 1 59 59 ALA N N 15 121.50 0.02 . 1 . . . . A 59 ALA N . 30694 1 115 . 1 1 60 60 GLY H H 1 8.297 0.001 . 1 . . . . A 60 GLY H . 30694 1 116 . 1 1 60 60 GLY N N 15 108.03 0.02 . 1 . . . . A 60 GLY N . 30694 1 117 . 1 1 61 61 GLN H H 1 8.605 0.001 . 1 . . . . A 61 GLN H . 30694 1 118 . 1 1 61 61 GLN N N 15 119.22 0.02 . 1 . . . . A 61 GLN N . 30694 1 119 . 1 1 62 62 GLU H H 1 8.762 0.001 . 1 . . . . A 62 GLU H . 30694 1 120 . 1 1 62 62 GLU N N 15 120.85 0.02 . 1 . . . . A 62 GLU N . 30694 1 121 . 1 1 63 63 GLU H H 1 8.304 0.001 . 1 . . . . A 63 GLU H . 30694 1 122 . 1 1 63 63 GLU N N 15 120.13 0.02 . 1 . . . . A 63 GLU N . 30694 1 123 . 1 1 64 64 TYR H H 1 8.270 0.001 . 1 . . . . A 64 TYR H . 30694 1 124 . 1 1 64 64 TYR N N 15 120.94 0.02 . 1 . . . . A 64 TYR N . 30694 1 125 . 1 1 65 65 SER H H 1 7.901 0.001 . 1 . . . . A 65 SER H . 30694 1 126 . 1 1 65 65 SER N N 15 119.69 0.02 . 1 . . . . A 65 SER N . 30694 1 127 . 1 1 66 66 ALA H H 1 8.277 0.001 . 1 . . . . A 66 ALA H . 30694 1 128 . 1 1 66 66 ALA N N 15 121.60 0.02 . 1 . . . . A 66 ALA N . 30694 1 129 . 1 1 67 67 MET H H 1 8.229 0.001 . 1 . . . . A 67 MET H . 30694 1 130 . 1 1 67 67 MET N N 15 117.66 0.02 . 1 . . . . A 67 MET N . 30694 1 131 . 1 1 68 68 ARG H H 1 7.833 0.001 . 1 . . . . A 68 ARG H . 30694 1 132 . 1 1 68 68 ARG N N 15 120.91 0.02 . 1 . . . . A 68 ARG N . 30694 1 133 . 1 1 69 69 ASP H H 1 8.113 0.001 . 1 . . . . A 69 ASP H . 30694 1 134 . 1 1 69 69 ASP N N 15 118.66 0.02 . 1 . . . . A 69 ASP N . 30694 1 135 . 1 1 70 70 GLN H H 1 7.854 0.001 . 1 . . . . A 70 GLN H . 30694 1 136 . 1 1 70 70 GLN N N 15 117.47 0.02 . 1 . . . . A 70 GLN N . 30694 1 137 . 1 1 71 71 TYR H H 1 8.243 0.001 . 1 . . . . A 71 TYR H . 30694 1 138 . 1 1 71 71 TYR N N 15 119.63 0.02 . 1 . . . . A 71 TYR N . 30694 1 139 . 1 1 72 72 MET H H 1 8.522 0.001 . 1 . . . . A 72 MET H . 30694 1 140 . 1 1 72 72 MET N N 15 119.13 0.02 . 1 . . . . A 72 MET N . 30694 1 141 . 1 1 73 73 ARG H H 1 8.004 0.001 . 1 . . . . A 73 ARG H . 30694 1 142 . 1 1 73 73 ARG N N 15 115.85 0.02 . 1 . . . . A 73 ARG N . 30694 1 143 . 1 1 74 74 THR H H 1 7.929 0.001 . 1 . . . . A 74 THR H . 30694 1 144 . 1 1 74 74 THR N N 15 108.72 0.02 . 1 . . . . A 74 THR N . 30694 1 145 . 1 1 75 75 GLY H H 1 8.038 0.001 . 1 . . . . A 75 GLY H . 30694 1 146 . 1 1 75 75 GLY N N 15 110.53 0.02 . 1 . . . . A 75 GLY N . 30694 1 147 . 1 1 76 76 GLU H H 1 9.014 0.001 . 1 . . . . A 76 GLU H . 30694 1 148 . 1 1 76 76 GLU N N 15 122.28 0.02 . 1 . . . . A 76 GLU N . 30694 1 149 . 1 1 77 77 GLY H H 1 7.192 0.001 . 1 . . . . A 77 GLY H . 30694 1 150 . 1 1 77 77 GLY N N 15 100.94 0.02 . 1 . . . . A 77 GLY N . 30694 1 151 . 1 1 78 78 PHE H H 1 8.215 0.001 . 1 . . . . A 78 PHE H . 30694 1 152 . 1 1 78 78 PHE N N 15 121.47 0.02 . 1 . . . . A 78 PHE N . 30694 1 153 . 1 1 79 79 LEU H H 1 9.232 0.001 . 1 . . . . A 79 LEU H . 30694 1 154 . 1 1 79 79 LEU N N 15 126.47 0.02 . 1 . . . . A 79 LEU N . 30694 1 155 . 1 1 80 80 CYS H H 1 8.734 0.001 . 1 . . . . A 80 CYS H . 30694 1 156 . 1 1 80 80 CYS N N 15 124.47 0.02 . 1 . . . . A 80 CYS N . 30694 1 157 . 1 1 81 81 VAL H H 1 9.000 0.001 . 1 . . . . A 81 VAL H . 30694 1 158 . 1 1 81 81 VAL N N 15 126.16 0.02 . 1 . . . . A 81 VAL N . 30694 1 159 . 1 1 82 82 PHE H H 1 9.314 0.001 . 1 . . . . A 82 PHE H . 30694 1 160 . 1 1 82 82 PHE N N 15 123.63 0.02 . 1 . . . . A 82 PHE N . 30694 1 161 . 1 1 83 83 ALA H H 1 8.809 0.001 . 1 . . . . A 83 ALA H . 30694 1 162 . 1 1 83 83 ALA N N 15 121.47 0.02 . 1 . . . . A 83 ALA N . 30694 1 163 . 1 1 84 84 ILE H H 1 8.509 0.001 . 1 . . . . A 84 ILE H . 30694 1 164 . 1 1 84 84 ILE N N 15 113.53 0.02 . 1 . . . . A 84 ILE N . 30694 1 165 . 1 1 85 85 ASN H H 1 7.949 0.001 . 1 . . . . A 85 ASN H . 30694 1 166 . 1 1 85 85 ASN N N 15 116.97 0.02 . 1 . . . . A 85 ASN N . 30694 1 167 . 1 1 86 86 ASN H H 1 7.908 0.001 . 1 . . . . A 86 ASN H . 30694 1 168 . 1 1 86 86 ASN N N 15 119.22 0.02 . 1 . . . . A 86 ASN N . 30694 1 169 . 1 1 87 87 THR H H 1 8.748 0.001 . 1 . . . . A 87 THR H . 30694 1 170 . 1 1 87 87 THR N N 15 121.41 0.02 . 1 . . . . A 87 THR N . 30694 1 171 . 1 1 88 88 LYS H H 1 8.454 0.001 . 1 . . . . A 88 LYS H . 30694 1 172 . 1 1 88 88 LYS N N 15 124.13 0.02 . 1 . . . . A 88 LYS N . 30694 1 173 . 1 1 89 89 SER H H 1 8.079 0.001 . 1 . . . . A 89 SER H . 30694 1 174 . 1 1 89 89 SER N N 15 114.35 0.02 . 1 . . . . A 89 SER N . 30694 1 175 . 1 1 90 90 PHE H H 1 7.437 0.001 . 1 . . . . A 90 PHE H . 30694 1 176 . 1 1 90 90 PHE N N 15 124.66 0.02 . 1 . . . . A 90 PHE N . 30694 1 177 . 1 1 91 91 GLU H H 1 8.454 0.001 . 1 . . . . A 91 GLU H . 30694 1 178 . 1 1 91 91 GLU N N 15 121.78 0.02 . 1 . . . . A 91 GLU N . 30694 1 179 . 1 1 92 92 ASP H H 1 8.509 0.001 . 1 . . . . A 92 ASP H . 30694 1 180 . 1 1 92 92 ASP N N 15 116.97 0.02 . 1 . . . . A 92 ASP N . 30694 1 181 . 1 1 93 93 ILE H H 1 7.608 0.001 . 1 . . . . A 93 ILE H . 30694 1 182 . 1 1 93 93 ILE N N 15 120.56 0.02 . 1 . . . . A 93 ILE N . 30694 1 183 . 1 1 94 94 HIS H H 1 7.676 0.001 . 1 . . . . A 94 HIS H . 30694 1 184 . 1 1 94 94 HIS N N 15 117.03 0.02 . 1 . . . . A 94 HIS N . 30694 1 185 . 1 1 95 95 HIS H H 1 7.226 0.001 . 1 . . . . A 95 HIS H . 30694 1 186 . 1 1 95 95 HIS N N 15 117.19 0.02 . 1 . . . . A 95 HIS N . 30694 1 187 . 1 1 96 96 TYR H H 1 7.676 0.001 . 1 . . . . A 96 TYR H . 30694 1 188 . 1 1 96 96 TYR N N 15 118.69 0.02 . 1 . . . . A 96 TYR N . 30694 1 189 . 1 1 97 97 ARG H H 1 8.529 0.001 . 1 . . . . A 97 ARG H . 30694 1 190 . 1 1 97 97 ARG N N 15 118.81 0.02 . 1 . . . . A 97 ARG N . 30694 1 191 . 1 1 98 98 GLU H H 1 7.963 0.001 . 1 . . . . A 98 GLU H . 30694 1 192 . 1 1 98 98 GLU N N 15 117.69 0.02 . 1 . . . . A 98 GLU N . 30694 1 193 . 1 1 99 99 GLN H H 1 7.826 0.001 . 1 . . . . A 99 GLN H . 30694 1 194 . 1 1 99 99 GLN N N 15 119.38 0.02 . 1 . . . . A 99 GLN N . 30694 1 195 . 1 1 100 100 ILE H H 1 7.792 0.001 . 1 . . . . A 100 ILE H . 30694 1 196 . 1 1 100 100 ILE N N 15 119.94 0.02 . 1 . . . . A 100 ILE N . 30694 1 197 . 1 1 101 101 LYS H H 1 7.854 0.001 . 1 . . . . A 101 LYS H . 30694 1 198 . 1 1 101 101 LYS N N 15 117.47 0.02 . 1 . . . . A 101 LYS N . 30694 1 199 . 1 1 102 102 ARG H H 1 7.772 0.001 . 1 . . . . A 102 ARG H . 30694 1 200 . 1 1 102 102 ARG N N 15 117.66 0.02 . 1 . . . . A 102 ARG N . 30694 1 201 . 1 1 103 103 VAL H H 1 8.052 0.001 . 1 . . . . A 103 VAL H . 30694 1 202 . 1 1 103 103 VAL N N 15 118.16 0.02 . 1 . . . . A 103 VAL N . 30694 1 203 . 1 1 104 104 LYS H H 1 8.024 0.001 . 1 . . . . A 104 LYS H . 30694 1 204 . 1 1 104 104 LYS N N 15 116.78 0.02 . 1 . . . . A 104 LYS N . 30694 1 205 . 1 1 105 105 ASP H H 1 7.997 0.001 . 1 . . . . A 105 ASP H . 30694 1 206 . 1 1 105 105 ASP N N 15 120.75 0.02 . 1 . . . . A 105 ASP N . 30694 1 207 . 1 1 106 106 SER H H 1 7.567 0.001 . 1 . . . . A 106 SER H . 30694 1 208 . 1 1 106 106 SER N N 15 109.25 0.02 . 1 . . . . A 106 SER N . 30694 1 209 . 1 1 107 107 GLU H H 1 8.434 0.001 . 1 . . . . A 107 GLU H . 30694 1 210 . 1 1 107 107 GLU N N 15 121.28 0.02 . 1 . . . . A 107 GLU N . 30694 1 211 . 1 1 108 108 ASP H H 1 8.400 0.001 . 1 . . . . A 108 ASP H . 30694 1 212 . 1 1 108 108 ASP N N 15 120.88 0.02 . 1 . . . . A 108 ASP N . 30694 1 213 . 1 1 109 109 VAL H H 1 7.628 0.001 . 1 . . . . A 109 VAL H . 30694 1 214 . 1 1 109 109 VAL N N 15 122.35 0.02 . 1 . . . . A 109 VAL N . 30694 1 215 . 1 1 111 111 MET H H 1 8.229 0.001 . 1 . . . . A 111 MET H . 30694 1 216 . 1 1 111 111 MET N N 15 123.03 0.02 . 1 . . . . A 111 MET N . 30694 1 217 . 1 1 112 112 VAL H H 1 8.031 0.001 . 1 . . . . A 112 VAL H . 30694 1 218 . 1 1 112 112 VAL N N 15 117.72 0.02 . 1 . . . . A 112 VAL N . 30694 1 219 . 1 1 113 113 LEU H H 1 8.959 0.001 . 1 . . . . A 113 LEU H . 30694 1 220 . 1 1 113 113 LEU N N 15 128.66 0.02 . 1 . . . . A 113 LEU N . 30694 1 221 . 1 1 114 114 VAL H H 1 9.232 0.001 . 1 . . . . A 114 VAL H . 30694 1 222 . 1 1 114 114 VAL N N 15 128.22 0.02 . 1 . . . . A 114 VAL N . 30694 1 223 . 1 1 115 115 GLY H H 1 8.250 0.001 . 1 . . . . A 115 GLY H . 30694 1 224 . 1 1 115 115 GLY N N 15 113.50 0.02 . 1 . . . . A 115 GLY N . 30694 1 225 . 1 1 116 116 ASN H H 1 8.809 0.001 . 1 . . . . A 116 ASN H . 30694 1 226 . 1 1 116 116 ASN N N 15 121.47 0.02 . 1 . . . . A 116 ASN N . 30694 1 227 . 1 1 118 118 CYS H H 1 8.700 0.001 . 1 . . . . A 118 CYS H . 30694 1 228 . 1 1 118 118 CYS N N 15 114.03 0.02 . 1 . . . . A 118 CYS N . 30694 1 229 . 1 1 119 119 ASP H H 1 8.611 0.001 . 1 . . . . A 119 ASP H . 30694 1 230 . 1 1 119 119 ASP N N 15 116.88 0.02 . 1 . . . . A 119 ASP N . 30694 1 231 . 1 1 120 120 LEU H H 1 7.833 0.001 . 1 . . . . A 120 LEU H . 30694 1 232 . 1 1 120 120 LEU N N 15 121.60 0.02 . 1 . . . . A 120 LEU N . 30694 1 233 . 1 1 122 122 SER H H 1 7.280 0.001 . 1 . . . . A 122 SER H . 30694 1 234 . 1 1 122 122 SER N N 15 113.13 0.02 . 1 . . . . A 122 SER N . 30694 1 235 . 1 1 123 123 ARG H H 1 7.895 0.001 . 1 . . . . A 123 ARG H . 30694 1 236 . 1 1 123 123 ARG N N 15 120.13 0.02 . 1 . . . . A 123 ARG N . 30694 1 237 . 1 1 124 124 THR H H 1 9.069 0.001 . 1 . . . . A 124 THR H . 30694 1 238 . 1 1 124 124 THR N N 15 114.19 0.02 . 1 . . . . A 124 THR N . 30694 1 239 . 1 1 125 125 VAL H H 1 7.574 0.001 . 1 . . . . A 125 VAL H . 30694 1 240 . 1 1 125 125 VAL N N 15 124.22 0.02 . 1 . . . . A 125 VAL N . 30694 1 241 . 1 1 126 126 ASP H H 1 8.618 0.001 . 1 . . . . A 126 ASP H . 30694 1 242 . 1 1 126 126 ASP N N 15 128.47 0.02 . 1 . . . . A 126 ASP N . 30694 1 243 . 1 1 127 127 THR H H 1 8.748 0.001 . 1 . . . . A 127 THR H . 30694 1 244 . 1 1 127 127 THR N N 15 121.41 0.02 . 1 . . . . A 127 THR N . 30694 1 245 . 1 1 128 128 LYS H H 1 8.407 0.001 . 1 . . . . A 128 LYS H . 30694 1 246 . 1 1 128 128 LYS N N 15 120.38 0.02 . 1 . . . . A 128 LYS N . 30694 1 247 . 1 1 129 129 GLN H H 1 7.362 0.001 . 1 . . . . A 129 GLN H . 30694 1 248 . 1 1 129 129 GLN N N 15 117.53 0.02 . 1 . . . . A 129 GLN N . 30694 1 249 . 1 1 130 130 ALA H H 1 7.130 0.001 . 1 . . . . A 130 ALA H . 30694 1 250 . 1 1 130 130 ALA N N 15 122.41 0.02 . 1 . . . . A 130 ALA N . 30694 1 251 . 1 1 131 131 GLN H H 1 8.448 0.001 . 1 . . . . A 131 GLN H . 30694 1 252 . 1 1 131 131 GLN N N 15 117.81 0.02 . 1 . . . . A 131 GLN N . 30694 1 253 . 1 1 132 132 ASP H H 1 8.543 0.001 . 1 . . . . A 132 ASP H . 30694 1 254 . 1 1 132 132 ASP N N 15 120.38 0.02 . 1 . . . . A 132 ASP N . 30694 1 255 . 1 1 133 133 LEU H H 1 7.553 0.001 . 1 . . . . A 133 LEU H . 30694 1 256 . 1 1 133 133 LEU N N 15 123.60 0.02 . 1 . . . . A 133 LEU N . 30694 1 257 . 1 1 134 134 ALA H H 1 8.279 0.001 . 1 . . . . A 134 ALA H . 30694 1 258 . 1 1 134 134 ALA N N 15 121.60 0.02 . 1 . . . . A 134 ALA N . 30694 1 259 . 1 1 135 135 ARG H H 1 8.488 0.001 . 1 . . . . A 135 ARG H . 30694 1 260 . 1 1 135 135 ARG N N 15 118.22 0.02 . 1 . . . . A 135 ARG N . 30694 1 261 . 1 1 136 136 SER H H 1 7.963 0.001 . 1 . . . . A 136 SER H . 30694 1 262 . 1 1 136 136 SER N N 15 117.69 0.02 . 1 . . . . A 136 SER N . 30694 1 263 . 1 1 137 137 TYR H H 1 7.615 0.001 . 1 . . . . A 137 TYR H . 30694 1 264 . 1 1 137 137 TYR N N 15 119.85 0.02 . 1 . . . . A 137 TYR N . 30694 1 265 . 1 1 138 138 GLY H H 1 8.311 0.001 . 1 . . . . A 138 GLY H . 30694 1 266 . 1 1 138 138 GLY N N 15 110.88 0.02 . 1 . . . . A 138 GLY N . 30694 1 267 . 1 1 139 139 ILE H H 1 8.058 0.001 . 1 . . . . A 139 ILE H . 30694 1 268 . 1 1 139 139 ILE N N 15 113.03 0.02 . 1 . . . . A 139 ILE N . 30694 1 269 . 1 1 141 141 PHE H H 1 8.304 0.001 . 1 . . . . A 141 PHE H . 30694 1 270 . 1 1 141 141 PHE N N 15 120.13 0.02 . 1 . . . . A 141 PHE N . 30694 1 271 . 1 1 142 142 ILE H H 1 8.427 0.001 . 1 . . . . A 142 ILE H . 30694 1 272 . 1 1 142 142 ILE N N 15 129.91 0.02 . 1 . . . . A 142 ILE N . 30694 1 273 . 1 1 143 143 GLU H H 1 7.799 0.001 . 1 . . . . A 143 GLU H . 30694 1 274 . 1 1 143 143 GLU N N 15 125.13 0.02 . 1 . . . . A 143 GLU N . 30694 1 275 . 1 1 144 144 THR H H 1 8.796 0.001 . 1 . . . . A 144 THR H . 30694 1 276 . 1 1 144 144 THR N N 15 112.13 0.02 . 1 . . . . A 144 THR N . 30694 1 277 . 1 1 145 145 SER H H 1 8.796 0.001 . 1 . . . . A 145 SER H . 30694 1 278 . 1 1 145 145 SER N N 15 112.47 0.02 . 1 . . . . A 145 SER N . 30694 1 279 . 1 1 146 146 ALA H H 1 9.171 0.001 . 1 . . . . A 146 ALA H . 30694 1 280 . 1 1 146 146 ALA N N 15 132.47 0.02 . 1 . . . . A 146 ALA N . 30694 1 281 . 1 1 147 147 LYS H H 1 7.028 0.001 . 1 . . . . A 147 LYS H . 30694 1 282 . 1 1 147 147 LYS N N 15 116.19 0.02 . 1 . . . . A 147 LYS N . 30694 1 283 . 1 1 148 148 THR H H 1 7.710 0.001 . 1 . . . . A 148 THR H . 30694 1 284 . 1 1 148 148 THR N N 15 106.41 0.02 . 1 . . . . A 148 THR N . 30694 1 285 . 1 1 149 149 ARG H H 1 7.826 0.001 . 1 . . . . A 149 ARG H . 30694 1 286 . 1 1 149 149 ARG N N 15 119.38 0.02 . 1 . . . . A 149 ARG N . 30694 1 287 . 1 1 150 150 GLN H H 1 7.820 0.001 . 1 . . . . A 150 GLN H . 30694 1 288 . 1 1 150 150 GLN N N 15 124.28 0.02 . 1 . . . . A 150 GLN N . 30694 1 289 . 1 1 151 151 GLY H H 1 8.932 0.001 . 1 . . . . A 151 GLY H . 30694 1 290 . 1 1 151 151 GLY N N 15 115.38 0.02 . 1 . . . . A 151 GLY N . 30694 1 291 . 1 1 152 152 VAL H H 1 7.041 0.001 . 1 . . . . A 152 VAL H . 30694 1 292 . 1 1 152 152 VAL N N 15 120.53 0.02 . 1 . . . . A 152 VAL N . 30694 1 293 . 1 1 153 153 ASP H H 1 7.949 0.001 . 1 . . . . A 153 ASP H . 30694 1 294 . 1 1 153 153 ASP N N 15 116.97 0.02 . 1 . . . . A 153 ASP N . 30694 1 295 . 1 1 154 154 ASP H H 1 8.052 0.001 . 1 . . . . A 154 ASP H . 30694 1 296 . 1 1 154 154 ASP N N 15 116.19 0.02 . 1 . . . . A 154 ASP N . 30694 1 297 . 1 1 155 155 ALA H H 1 8.625 0.001 . 1 . . . . A 155 ALA H . 30694 1 298 . 1 1 155 155 ALA N N 15 124.91 0.02 . 1 . . . . A 155 ALA N . 30694 1 299 . 1 1 156 156 PHE H H 1 7.192 0.001 . 1 . . . . A 156 PHE H . 30694 1 300 . 1 1 156 156 PHE N N 15 112.78 0.02 . 1 . . . . A 156 PHE N . 30694 1 301 . 1 1 157 157 TYR H H 1 9.533 0.001 . 1 . . . . A 157 TYR H . 30694 1 302 . 1 1 157 157 TYR N N 15 119.44 0.02 . 1 . . . . A 157 TYR N . 30694 1 303 . 1 1 158 158 THR H H 1 8.618 0.001 . 1 . . . . A 158 THR H . 30694 1 304 . 1 1 158 158 THR N N 15 116.38 0.02 . 1 . . . . A 158 THR N . 30694 1 305 . 1 1 159 159 LEU H H 1 7.246 0.001 . 1 . . . . A 159 LEU H . 30694 1 306 . 1 1 159 159 LEU N N 15 121.75 0.02 . 1 . . . . A 159 LEU N . 30694 1 307 . 1 1 160 160 VAL H H 1 7.594 0.001 . 1 . . . . A 160 VAL H . 30694 1 308 . 1 1 160 160 VAL N N 15 119.25 0.02 . 1 . . . . A 160 VAL N . 30694 1 309 . 1 1 161 161 ARG H H 1 8.168 0.001 . 1 . . . . A 161 ARG H . 30694 1 310 . 1 1 161 161 ARG N N 15 118.81 0.02 . 1 . . . . A 161 ARG N . 30694 1 311 . 1 1 162 162 GLU H H 1 8.120 0.001 . 1 . . . . A 162 GLU H . 30694 1 312 . 1 1 162 162 GLU N N 15 118.31 0.02 . 1 . . . . A 162 GLU N . 30694 1 313 . 1 1 163 163 ILE H H 1 8.120 0.001 . 1 . . . . A 163 ILE H . 30694 1 314 . 1 1 163 163 ILE N N 15 122.44 0.02 . 1 . . . . A 163 ILE N . 30694 1 315 . 1 1 164 164 ARG H H 1 8.147 0.001 . 1 . . . . A 164 ARG H . 30694 1 316 . 1 1 164 164 ARG N N 15 117.75 0.02 . 1 . . . . A 164 ARG N . 30694 1 317 . 1 1 165 165 LYS H H 1 7.369 0.001 . 1 . . . . A 165 LYS H . 30694 1 318 . 1 1 165 165 LYS N N 15 116.94 0.02 . 1 . . . . A 165 LYS N . 30694 1 319 . 1 1 166 166 HIS H H 1 7.676 0.001 . 1 . . . . A 166 HIS H . 30694 1 320 . 1 1 166 166 HIS N N 15 124.47 0.02 . 1 . . . . A 166 HIS N . 30694 1 stop_ save_