################################### # 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 30234 _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 $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 'Chemical shifts are for proximal Ub (chain B in PDB file)' _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' . . . 30234 1 2 '2D 1H-15N HSQC' . . . 30234 1 3 '2D 1H-15N HSQC' . . . 30234 1 4 '2D 1H-15N HSQC' . . . 30234 1 5 '2D 1H-15N HSQC' . . . 30234 1 6 '2D 1H-15N HSQC' . . . 30234 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 . 2 1 2 2 GLN H H 1 8.846 . . . . . . A 2 GLN H . 30234 1 2 . 2 1 2 2 GLN N N 15 123.987 . . . . . . A 2 GLN N . 30234 1 3 . 2 1 3 3 ILE H H 1 8.217 . . . . . . A 3 ILE H . 30234 1 4 . 2 1 3 3 ILE N N 15 116.067 . . . . . . A 3 ILE N . 30234 1 5 . 2 1 4 4 PHE H H 1 8.509 . . . . . . A 4 PHE H . 30234 1 6 . 2 1 4 4 PHE N N 15 119.442 . . . . . . A 4 PHE N . 30234 1 7 . 2 1 5 5 VAL H H 1 9.185 . . . . . . A 5 VAL H . 30234 1 8 . 2 1 5 5 VAL N N 15 122.110 . . . . . . A 5 VAL N . 30234 1 9 . 2 1 6 6 LYS H H 1 8.854 . . . . . . A 6 LYS H . 30234 1 10 . 2 1 6 6 LYS N N 15 128.852 . . . . . . A 6 LYS N . 30234 1 11 . 2 1 7 7 THR H H 1 8.658 . . . . . . A 7 THR H . 30234 1 12 . 2 1 7 7 THR N N 15 116.331 . . . . . . A 7 THR N . 30234 1 13 . 2 1 8 8 LEU H H 1 9.075 . . . . . . A 8 LEU H . 30234 1 14 . 2 1 8 8 LEU N N 15 122.201 . . . . . . A 8 LEU N . 30234 1 15 . 2 1 9 9 THR H H 1 7.521 . . . . . . A 9 THR H . 30234 1 16 . 2 1 9 9 THR N N 15 106.719 . . . . . . A 9 THR N . 30234 1 17 . 2 1 10 10 GLY H H 1 7.723 . . . . . . A 10 GLY H . 30234 1 18 . 2 1 10 10 GLY N N 15 110.172 . . . . . . A 10 GLY N . 30234 1 19 . 2 1 11 11 LYS H H 1 7.161 . . . . . . A 11 LYS H . 30234 1 20 . 2 1 11 11 LYS N N 15 122.776 . . . . . . A 11 LYS N . 30234 1 21 . 2 1 12 12 THR H H 1 8.552 . . . . . . A 12 THR H . 30234 1 22 . 2 1 12 12 THR N N 15 121.525 . . . . . . A 12 THR N . 30234 1 23 . 2 1 13 13 ILE H H 1 9.472 . . . . . . A 13 ILE H . 30234 1 24 . 2 1 13 13 ILE N N 15 128.674 . . . . . . A 13 ILE N . 30234 1 25 . 2 1 14 14 THR H H 1 8.635 . . . . . . A 14 THR H . 30234 1 26 . 2 1 14 14 THR N N 15 122.421 . . . . . . A 14 THR N . 30234 1 27 . 2 1 15 15 LEU H H 1 8.633 . . . . . . A 15 LEU H . 30234 1 28 . 2 1 15 15 LEU N N 15 126.146 . . . . . . A 15 LEU N . 30234 1 29 . 2 1 16 16 GLU H H 1 8.021 . . . . . . A 16 GLU H . 30234 1 30 . 2 1 16 16 GLU N N 15 123.374 . . . . . . A 16 GLU N . 30234 1 31 . 2 1 17 17 VAL H H 1 8.836 . . . . . . A 17 VAL H . 30234 1 32 . 2 1 17 17 VAL N N 15 118.423 . . . . . . A 17 VAL N . 30234 1 33 . 2 1 18 18 GLU H H 1 8.533 . . . . . . A 18 GLU H . 30234 1 34 . 2 1 18 18 GLU N N 15 120.154 . . . . . . A 18 GLU N . 30234 1 35 . 2 1 20 20 SER H H 1 6.919 . . . . . . A 20 SER H . 30234 1 36 . 2 1 20 20 SER N N 15 104.304 . . . . . . A 20 SER N . 30234 1 37 . 2 1 21 21 ASP H H 1 7.916 . . . . . . A 21 ASP H . 30234 1 38 . 2 1 21 21 ASP N N 15 124.756 . . . . . . A 21 ASP N . 30234 1 39 . 2 1 22 22 THR H H 1 7.813 . . . . . . A 22 THR H . 30234 1 40 . 2 1 22 22 THR N N 15 109.795 . . . . . . A 22 THR N . 30234 1 41 . 2 1 23 23 ILE H H 1 8.396 . . . . . . A 23 ILE H . 30234 1 42 . 2 1 23 23 ILE N N 15 121.661 . . . . . . A 23 ILE N . 30234 1 43 . 2 1 24 24 GLU H H 1 9.513 . . . . . . A 24 GLU H . 30234 1 44 . 2 1 24 24 GLU N N 15 121.483 . . . . . . A 24 GLU N . 30234 1 45 . 2 1 25 25 ASN H H 1 7.770 . . . . . . A 25 ASN H . 30234 1 46 . 2 1 25 25 ASN N N 15 121.628 . . . . . . A 25 ASN N . 30234 1 47 . 2 1 26 26 VAL H H 1 7.967 . . . . . . A 26 VAL H . 30234 1 48 . 2 1 26 26 VAL N N 15 122.674 . . . . . . A 26 VAL N . 30234 1 49 . 2 1 28 28 ALA H H 1 7.880 . . . . . . A 28 ALA H . 30234 1 50 . 2 1 28 28 ALA N N 15 124.144 . . . . . . A 28 ALA N . 30234 1 51 . 2 1 29 29 LYS H H 1 7.712 . . . . . . A 29 LYS H . 30234 1 52 . 2 1 29 29 LYS N N 15 121.063 . . . . . . A 29 LYS N . 30234 1 53 . 2 1 30 30 ILE H H 1 8.179 . . . . . . A 30 ILE H . 30234 1 54 . 2 1 30 30 ILE N N 15 122.382 . . . . . . A 30 ILE N . 30234 1 55 . 2 1 31 31 GLN H H 1 8.435 . . . . . . A 31 GLN H . 30234 1 56 . 2 1 31 31 GLN N N 15 124.464 . . . . . . A 31 GLN N . 30234 1 57 . 2 1 32 32 ASP H H 1 7.879 . . . . . . A 32 ASP H . 30234 1 58 . 2 1 32 32 ASP N N 15 120.569 . . . . . . A 32 ASP N . 30234 1 59 . 2 1 33 33 LYS H H 1 7.343 . . . . . . A 33 LYS H . 30234 1 60 . 2 1 33 33 LYS N N 15 116.482 . . . . . . A 33 LYS N . 30234 1 61 . 2 1 34 34 GLU H H 1 8.635 . . . . . . A 34 GLU H . 30234 1 62 . 2 1 34 34 GLU N N 15 115.306 . . . . . . A 34 GLU N . 30234 1 63 . 2 1 35 35 GLY H H 1 8.365 . . . . . . A 35 GLY H . 30234 1 64 . 2 1 35 35 GLY N N 15 109.813 . . . . . . A 35 GLY N . 30234 1 65 . 2 1 36 36 ILE H H 1 6.110 . . . . . . A 36 ILE H . 30234 1 66 . 2 1 36 36 ILE N N 15 121.276 . . . . . . A 36 ILE N . 30234 1 67 . 2 1 39 39 ASP H H 1 8.253 . . . . . . A 39 ASP H . 30234 1 68 . 2 1 39 39 ASP N N 15 113.520 . . . . . . A 39 ASP N . 30234 1 69 . 2 1 40 40 GLN H H 1 7.749 . . . . . . A 40 GLN H . 30234 1 70 . 2 1 40 40 GLN N N 15 117.647 . . . . . . A 40 GLN N . 30234 1 71 . 2 1 41 41 GLN H H 1 7.357 . . . . . . A 41 GLN H . 30234 1 72 . 2 1 41 41 GLN N N 15 119.784 . . . . . . A 41 GLN N . 30234 1 73 . 2 1 42 42 ARG H H 1 8.167 . . . . . . A 42 ARG H . 30234 1 74 . 2 1 42 42 ARG N N 15 120.155 . . . . . . A 42 ARG N . 30234 1 75 . 2 1 43 43 LEU H H 1 8.714 . . . . . . A 43 LEU H . 30234 1 76 . 2 1 43 43 LEU N N 15 124.885 . . . . . . A 43 LEU N . 30234 1 77 . 2 1 44 44 ILE H H 1 8.990 . . . . . . A 44 ILE H . 30234 1 78 . 2 1 44 44 ILE N N 15 122.790 . . . . . . A 44 ILE N . 30234 1 79 . 2 1 45 45 PHE H H 1 8.703 . . . . . . A 45 PHE H . 30234 1 80 . 2 1 45 45 PHE N N 15 125.523 . . . . . . A 45 PHE N . 30234 1 81 . 2 1 46 46 ALA H H 1 9.102 . . . . . . A 46 ALA H . 30234 1 82 . 2 1 46 46 ALA N N 15 134.427 . . . . . . A 46 ALA N . 30234 1 83 . 2 1 47 47 GLY H H 1 7.976 . . . . . . A 47 GLY H . 30234 1 84 . 2 1 47 47 GLY N N 15 103.411 . . . . . . A 47 GLY N . 30234 1 85 . 2 1 48 48 LYS H H 1 7.889 . . . . . . A 48 LYS H . 30234 1 86 . 2 1 48 48 LYS N N 15 122.952 . . . . . . A 48 LYS N . 30234 1 87 . 2 1 49 49 GLN H H 1 8.486 . . . . . . A 49 GLN H . 30234 1 88 . 2 1 49 49 GLN N N 15 123.799 . . . . . . A 49 GLN N . 30234 1 89 . 2 1 50 50 LEU H H 1 8.357 . . . . . . A 50 LEU H . 30234 1 90 . 2 1 50 50 LEU N N 15 126.378 . . . . . . A 50 LEU N . 30234 1 91 . 2 1 51 51 GLU H H 1 8.050 . . . . . . A 51 GLU H . 30234 1 92 . 2 1 51 51 GLU N N 15 121.611 . . . . . . A 51 GLU N . 30234 1 93 . 2 1 52 52 ASP H H 1 8.118 . . . . . . A 52 ASP H . 30234 1 94 . 2 1 52 52 ASP N N 15 121.442 . . . . . . A 52 ASP N . 30234 1 95 . 2 1 54 54 ARG H H 1 7.286 . . . . . . A 54 ARG H . 30234 1 96 . 2 1 54 54 ARG N N 15 120.104 . . . . . . A 54 ARG N . 30234 1 97 . 2 1 55 55 THR H H 1 8.710 . . . . . . A 55 THR H . 30234 1 98 . 2 1 55 55 THR N N 15 110.096 . . . . . . A 55 THR N . 30234 1 99 . 2 1 56 56 LEU H H 1 8.091 . . . . . . A 56 LEU H . 30234 1 100 . 2 1 56 56 LEU N N 15 118.769 . . . . . . A 56 LEU N . 30234 1 101 . 2 1 57 57 SER H H 1 8.388 . . . . . . A 57 SER H . 30234 1 102 . 2 1 57 57 SER N N 15 114.290 . . . . . . A 57 SER N . 30234 1 103 . 2 1 58 58 ASP H H 1 7.798 . . . . . . A 58 ASP H . 30234 1 104 . 2 1 58 58 ASP N N 15 125.354 . . . . . . A 58 ASP N . 30234 1 105 . 2 1 59 59 TYR H H 1 7.163 . . . . . . A 59 TYR H . 30234 1 106 . 2 1 59 59 TYR N N 15 116.778 . . . . . . A 59 TYR N . 30234 1 107 . 2 1 60 60 ASN H H 1 8.031 . . . . . . A 60 ASN H . 30234 1 108 . 2 1 60 60 ASN N N 15 116.738 . . . . . . A 60 ASN N . 30234 1 109 . 2 1 61 61 ILE H H 1 7.133 . . . . . . A 61 ILE H . 30234 1 110 . 2 1 61 61 ILE N N 15 119.961 . . . . . . A 61 ILE N . 30234 1 111 . 2 1 62 62 GLN H H 1 7.532 . . . . . . A 62 GLN H . 30234 1 112 . 2 1 62 62 GLN N N 15 125.876 . . . . . . A 62 GLN N . 30234 1 113 . 2 1 63 63 LYS H H 1 8.376 . . . . . . A 63 LYS H . 30234 1 114 . 2 1 63 63 LYS N N 15 121.409 . . . . . . A 63 LYS N . 30234 1 115 . 2 1 64 64 GLU H H 1 9.243 . . . . . . A 64 GLU H . 30234 1 116 . 2 1 64 64 GLU N N 15 115.742 . . . . . . A 64 GLU N . 30234 1 117 . 2 1 65 65 SER H H 1 7.626 . . . . . . A 65 SER H . 30234 1 118 . 2 1 65 65 SER N N 15 116.019 . . . . . . A 65 SER N . 30234 1 119 . 2 1 66 66 THR H H 1 8.623 . . . . . . A 66 THR H . 30234 1 120 . 2 1 66 66 THR N N 15 118.232 . . . . . . A 66 THR N . 30234 1 121 . 2 1 67 67 LEU H H 1 9.312 . . . . . . A 67 LEU H . 30234 1 122 . 2 1 67 67 LEU N N 15 128.917 . . . . . . A 67 LEU N . 30234 1 123 . 2 1 68 68 HIS H H 1 9.150 . . . . . . A 68 HIS H . 30234 1 124 . 2 1 68 68 HIS N N 15 120.468 . . . . . . A 68 HIS N . 30234 1 125 . 2 1 69 69 LEU H H 1 8.140 . . . . . . A 69 LEU H . 30234 1 126 . 2 1 69 69 LEU N N 15 124.353 . . . . . . A 69 LEU N . 30234 1 127 . 2 1 70 70 VAL H H 1 9.063 . . . . . . A 70 VAL H . 30234 1 128 . 2 1 70 70 VAL N N 15 126.657 . . . . . . A 70 VAL N . 30234 1 129 . 2 1 71 71 LEU H H 1 7.922 . . . . . . A 71 LEU H . 30234 1 130 . 2 1 71 71 LEU N N 15 122.979 . . . . . . A 71 LEU N . 30234 1 131 . 2 1 72 72 ARG H H 1 8.435 . . . . . . A 72 ARG H . 30234 1 132 . 2 1 72 72 ARG N N 15 124.464 . . . . . . A 72 ARG N . 30234 1 133 . 2 1 73 73 LEU H H 1 8.230 . . . . . . A 73 LEU H . 30234 1 134 . 2 1 73 73 LEU N N 15 125.317 . . . . . . A 73 LEU N . 30234 1 135 . 2 1 74 74 ARG H H 1 8.350 . . . . . . A 74 ARG H . 30234 1 136 . 2 1 74 74 ARG N N 15 122.936 . . . . . . A 74 ARG N . 30234 1 137 . 2 1 75 75 GLY H H 1 8.408 . . . . . . A 75 GLY H . 30234 1 138 . 2 1 75 75 GLY N N 15 112.023 . . . . . . A 75 GLY N . 30234 1 139 . 2 1 76 76 GLY H H 1 7.851 . . . . . . A 76 GLY H . 30234 1 140 . 2 1 76 76 GLY N N 15 115.954 . . . . . . A 76 GLY N . 30234 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30234 _Assigned_chem_shift_list.ID 2 _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 'Chemical shifts are for distal Ub (chain A in PDB file)' _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' . . . 30234 2 2 '2D 1H-15N HSQC' . . . 30234 2 3 '2D 1H-15N HSQC' . . . 30234 2 4 '2D 1H-15N HSQC' . . . 30234 2 5 '2D 1H-15N HSQC' . . . 30234 2 6 '2D 1H-15N HSQC' . . . 30234 2 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 2 2 GLN H H 1 8.850 . . . . . . A 2 GLN H . 30234 2 2 . 1 1 2 2 GLN N N 15 123.695 . . . . . . A 2 GLN N . 30234 2 3 . 1 1 3 3 ILE H H 1 8.196 . . . . . . A 3 ILE H . 30234 2 4 . 1 1 3 3 ILE N N 15 115.930 . . . . . . A 3 ILE N . 30234 2 5 . 1 1 4 4 PHE H H 1 8.505 . . . . . . A 4 PHE H . 30234 2 6 . 1 1 4 4 PHE N N 15 119.480 . . . . . . A 4 PHE N . 30234 2 7 . 1 1 5 5 VAL H H 1 9.183 . . . . . . A 5 VAL H . 30234 2 8 . 1 1 5 5 VAL N N 15 122.105 . . . . . . A 5 VAL N . 30234 2 9 . 1 1 6 6 LYS H H 1 8.863 . . . . . . A 6 LYS H . 30234 2 10 . 1 1 6 6 LYS N N 15 128.902 . . . . . . A 6 LYS N . 30234 2 11 . 1 1 7 7 THR H H 1 8.643 . . . . . . A 7 THR H . 30234 2 12 . 1 1 7 7 THR N N 15 116.369 . . . . . . A 7 THR N . 30234 2 13 . 1 1 8 8 LEU H H 1 9.043 . . . . . . A 8 LEU H . 30234 2 14 . 1 1 8 8 LEU N N 15 122.122 . . . . . . A 8 LEU N . 30234 2 15 . 1 1 9 9 THR H H 1 7.520 . . . . . . A 9 THR H . 30234 2 16 . 1 1 9 9 THR N N 15 106.620 . . . . . . A 9 THR N . 30234 2 17 . 1 1 10 10 GLY H H 1 7.720 . . . . . . A 10 GLY H . 30234 2 18 . 1 1 10 10 GLY N N 15 110.150 . . . . . . A 10 GLY N . 30234 2 19 . 1 1 11 11 LYS H H 1 7.158 . . . . . . A 11 LYS H . 30234 2 20 . 1 1 11 11 LYS N N 15 122.809 . . . . . . A 11 LYS N . 30234 2 21 . 1 1 12 12 THR H H 1 8.546 . . . . . . A 12 THR H . 30234 2 22 . 1 1 12 12 THR N N 15 121.496 . . . . . . A 12 THR N . 30234 2 23 . 1 1 13 13 ILE H H 1 9.457 . . . . . . A 13 ILE H . 30234 2 24 . 1 1 13 13 ILE N N 15 128.559 . . . . . . A 13 ILE N . 30234 2 25 . 1 1 14 14 THR H H 1 8.641 . . . . . . A 14 THR H . 30234 2 26 . 1 1 14 14 THR N N 15 122.432 . . . . . . A 14 THR N . 30234 2 27 . 1 1 15 15 LEU H H 1 8.639 . . . . . . A 15 LEU H . 30234 2 28 . 1 1 15 15 LEU N N 15 126.056 . . . . . . A 15 LEU N . 30234 2 29 . 1 1 16 16 GLU H H 1 8.018 . . . . . . A 16 GLU H . 30234 2 30 . 1 1 16 16 GLU N N 15 123.361 . . . . . . A 16 GLU N . 30234 2 31 . 1 1 17 17 VAL H H 1 8.838 . . . . . . A 17 VAL H . 30234 2 32 . 1 1 17 17 VAL N N 15 118.436 . . . . . . A 17 VAL N . 30234 2 33 . 1 1 18 18 GLU H H 1 8.545 . . . . . . A 18 GLU H . 30234 2 34 . 1 1 18 18 GLU N N 15 120.162 . . . . . . A 18 GLU N . 30234 2 35 . 1 1 20 20 SER H H 1 6.922 . . . . . . A 20 SER H . 30234 2 36 . 1 1 20 20 SER N N 15 104.271 . . . . . . A 20 SER N . 30234 2 37 . 1 1 21 21 ASP H H 1 7.948 . . . . . . A 21 ASP H . 30234 2 38 . 1 1 21 21 ASP N N 15 124.854 . . . . . . A 21 ASP N . 30234 2 39 . 1 1 22 22 THR H H 1 7.785 . . . . . . A 22 THR H . 30234 2 40 . 1 1 22 22 THR N N 15 109.932 . . . . . . A 22 THR N . 30234 2 41 . 1 1 23 23 ILE H H 1 8.414 . . . . . . A 23 ILE H . 30234 2 42 . 1 1 23 23 ILE N N 15 122.131 . . . . . . A 23 ILE N . 30234 2 43 . 1 1 25 25 ASN H H 1 7.825 . . . . . . A 25 ASN H . 30234 2 44 . 1 1 25 25 ASN N N 15 122.373 . . . . . . A 25 ASN N . 30234 2 45 . 1 1 26 26 VAL H H 1 8.010 . . . . . . A 26 VAL H . 30234 2 46 . 1 1 26 26 VAL N N 15 123.099 . . . . . . A 26 VAL N . 30234 2 47 . 1 1 27 27 LYS H H 1 8.454 . . . . . . A 27 LYS H . 30234 2 48 . 1 1 27 27 LYS N N 15 119.876 . . . . . . A 27 LYS N . 30234 2 49 . 1 1 28 28 ALA H H 1 7.862 . . . . . . A 28 ALA H . 30234 2 50 . 1 1 28 28 ALA N N 15 124.385 . . . . . . A 28 ALA N . 30234 2 51 . 1 1 29 29 LYS H H 1 7.758 . . . . . . A 29 LYS H . 30234 2 52 . 1 1 29 29 LYS N N 15 121.169 . . . . . . A 29 LYS N . 30234 2 53 . 1 1 30 30 ILE H H 1 8.185 . . . . . . A 30 ILE H . 30234 2 54 . 1 1 30 30 ILE N N 15 122.289 . . . . . . A 30 ILE N . 30234 2 55 . 1 1 31 31 GLN H H 1 8.451 . . . . . . A 31 GLN H . 30234 2 56 . 1 1 31 31 GLN N N 15 124.473 . . . . . . A 31 GLN N . 30234 2 57 . 1 1 32 32 ASP H H 1 7.919 . . . . . . A 32 ASP H . 30234 2 58 . 1 1 32 32 ASP N N 15 120.662 . . . . . . A 32 ASP N . 30234 2 59 . 1 1 33 33 LYS H H 1 7.319 . . . . . . A 33 LYS H . 30234 2 60 . 1 1 33 33 LYS N N 15 116.368 . . . . . . A 33 LYS N . 30234 2 61 . 1 1 34 34 GLU H H 1 8.622 . . . . . . A 34 GLU H . 30234 2 62 . 1 1 34 34 GLU N N 15 115.220 . . . . . . A 34 GLU N . 30234 2 63 . 1 1 35 35 GLY H H 1 8.394 . . . . . . A 35 GLY H . 30234 2 64 . 1 1 35 35 GLY N N 15 109.803 . . . . . . A 35 GLY N . 30234 2 65 . 1 1 36 36 ILE H H 1 6.045 . . . . . . A 36 ILE H . 30234 2 66 . 1 1 36 36 ILE N N 15 121.205 . . . . . . A 36 ILE N . 30234 2 67 . 1 1 39 39 ASP H H 1 8.430 . . . . . . A 39 ASP H . 30234 2 68 . 1 1 39 39 ASP N N 15 114.555 . . . . . . A 39 ASP N . 30234 2 69 . 1 1 40 40 GLN H H 1 7.723 . . . . . . A 40 GLN H . 30234 2 70 . 1 1 40 40 GLN N N 15 117.719 . . . . . . A 40 GLN N . 30234 2 71 . 1 1 41 41 GLN H H 1 7.388 . . . . . . A 41 GLN H . 30234 2 72 . 1 1 41 41 GLN N N 15 119.065 . . . . . . A 41 GLN N . 30234 2 73 . 1 1 42 42 ARG H H 1 8.393 . . . . . . A 42 ARG H . 30234 2 74 . 1 1 42 42 ARG N N 15 124.101 . . . . . . A 42 ARG N . 30234 2 75 . 1 1 43 43 LEU H H 1 8.719 . . . . . . A 43 LEU H . 30234 2 76 . 1 1 43 43 LEU N N 15 125.380 . . . . . . A 43 LEU N . 30234 2 77 . 1 1 44 44 ILE H H 1 9.023 . . . . . . A 44 ILE H . 30234 2 78 . 1 1 44 44 ILE N N 15 123.175 . . . . . . A 44 ILE N . 30234 2 79 . 1 1 45 45 PHE H H 1 8.741 . . . . . . A 45 PHE H . 30234 2 80 . 1 1 45 45 PHE N N 15 125.744 . . . . . . A 45 PHE N . 30234 2 81 . 1 1 46 46 ALA H H 1 8.909 . . . . . . A 46 ALA H . 30234 2 82 . 1 1 46 46 ALA N N 15 133.953 . . . . . . A 46 ALA N . 30234 2 83 . 1 1 47 47 GLY H H 1 7.998 . . . . . . A 47 GLY H . 30234 2 84 . 1 1 47 47 GLY N N 15 103.339 . . . . . . A 47 GLY N . 30234 2 85 . 1 1 48 48 LYS H H 1 7.857 . . . . . . A 48 LYS H . 30234 2 86 . 1 1 48 48 LYS N N 15 122.911 . . . . . . A 48 LYS N . 30234 2 87 . 1 1 49 49 GLN H H 1 8.567 . . . . . . A 49 GLN H . 30234 2 88 . 1 1 49 49 GLN N N 15 124.108 . . . . . . A 49 GLN N . 30234 2 89 . 1 1 50 50 LEU H H 1 8.457 . . . . . . A 50 LEU H . 30234 2 90 . 1 1 50 50 LEU N N 15 126.595 . . . . . . A 50 LEU N . 30234 2 91 . 1 1 51 51 GLU H H 1 8.295 . . . . . . A 51 GLU H . 30234 2 92 . 1 1 51 51 GLU N N 15 124.017 . . . . . . A 51 GLU N . 30234 2 93 . 1 1 52 52 ASP H H 1 8.071 . . . . . . A 52 ASP H . 30234 2 94 . 1 1 52 52 ASP N N 15 121.323 . . . . . . A 52 ASP N . 30234 2 95 . 1 1 54 54 ARG H H 1 7.359 . . . . . . A 54 ARG H . 30234 2 96 . 1 1 54 54 ARG N N 15 120.272 . . . . . . A 54 ARG N . 30234 2 97 . 1 1 55 55 THR H H 1 8.729 . . . . . . A 55 THR H . 30234 2 98 . 1 1 55 55 THR N N 15 109.712 . . . . . . A 55 THR N . 30234 2 99 . 1 1 56 56 LEU H H 1 8.041 . . . . . . A 56 LEU H . 30234 2 100 . 1 1 56 56 LEU N N 15 118.916 . . . . . . A 56 LEU N . 30234 2 101 . 1 1 57 57 SER H H 1 8.384 . . . . . . A 57 SER H . 30234 2 102 . 1 1 57 57 SER N N 15 114.409 . . . . . . A 57 SER N . 30234 2 103 . 1 1 58 58 ASP H H 1 7.833 . . . . . . A 58 ASP H . 30234 2 104 . 1 1 58 58 ASP N N 15 125.466 . . . . . . A 58 ASP N . 30234 2 105 . 1 1 59 59 TYR H H 1 7.150 . . . . . . A 59 TYR H . 30234 2 106 . 1 1 59 59 TYR N N 15 116.680 . . . . . . A 59 TYR N . 30234 2 107 . 1 1 60 60 ASN H H 1 8.047 . . . . . . A 60 ASN H . 30234 2 108 . 1 1 60 60 ASN N N 15 116.907 . . . . . . A 60 ASN N . 30234 2 109 . 1 1 61 61 ILE H H 1 7.142 . . . . . . A 61 ILE H . 30234 2 110 . 1 1 61 61 ILE N N 15 119.823 . . . . . . A 61 ILE N . 30234 2 111 . 1 1 62 62 GLN H H 1 7.519 . . . . . . A 62 GLN H . 30234 2 112 . 1 1 62 62 GLN N N 15 125.839 . . . . . . A 62 GLN N . 30234 2 113 . 1 1 63 63 LYS H H 1 8.399 . . . . . . A 63 LYS H . 30234 2 114 . 1 1 63 63 LYS N N 15 121.502 . . . . . . A 63 LYS N . 30234 2 115 . 1 1 64 64 GLU H H 1 9.223 . . . . . . A 64 GLU H . 30234 2 116 . 1 1 64 64 GLU N N 15 115.527 . . . . . . A 64 GLU N . 30234 2 117 . 1 1 65 65 SER H H 1 7.557 . . . . . . A 65 SER H . 30234 2 118 . 1 1 65 65 SER N N 15 115.877 . . . . . . A 65 SER N . 30234 2 119 . 1 1 66 66 THR H H 1 8.615 . . . . . . A 66 THR H . 30234 2 120 . 1 1 66 66 THR N N 15 118.337 . . . . . . A 66 THR N . 30234 2 121 . 1 1 67 67 LEU H H 1 9.304 . . . . . . A 67 LEU H . 30234 2 122 . 1 1 67 67 LEU N N 15 128.731 . . . . . . A 67 LEU N . 30234 2 123 . 1 1 68 68 HIS H H 1 9.110 . . . . . . A 68 HIS H . 30234 2 124 . 1 1 68 68 HIS N N 15 120.477 . . . . . . A 68 HIS N . 30234 2 125 . 1 1 69 69 LEU H H 1 8.165 . . . . . . A 69 LEU H . 30234 2 126 . 1 1 69 69 LEU N N 15 124.627 . . . . . . A 69 LEU N . 30234 2 127 . 1 1 70 70 VAL H H 1 9.055 . . . . . . A 70 VAL H . 30234 2 128 . 1 1 70 70 VAL N N 15 127.105 . . . . . . A 70 VAL N . 30234 2 129 . 1 1 71 71 LEU H H 1 8.016 . . . . . . A 71 LEU H . 30234 2 130 . 1 1 71 71 LEU N N 15 123.833 . . . . . . A 71 LEU N . 30234 2 131 . 1 1 72 72 ARG H H 1 8.479 . . . . . . A 72 ARG H . 30234 2 132 . 1 1 72 72 ARG N N 15 124.558 . . . . . . A 72 ARG N . 30234 2 133 . 1 1 73 73 LEU H H 1 8.317 . . . . . . A 73 LEU H . 30234 2 134 . 1 1 73 73 LEU N N 15 125.809 . . . . . . A 73 LEU N . 30234 2 135 . 1 1 74 74 ARG H H 1 8.406 . . . . . . A 74 ARG H . 30234 2 136 . 1 1 74 74 ARG N N 15 122.926 . . . . . . A 74 ARG N . 30234 2 137 . 1 1 75 75 GLY H H 1 8.424 . . . . . . A 75 GLY H . 30234 2 138 . 1 1 75 75 GLY N N 15 111.361 . . . . . . A 75 GLY N . 30234 2 139 . 1 1 76 76 GLY H H 1 8.379 . . . . . . A 76 GLY H . 30234 2 140 . 1 1 76 76 GLY N N 15 111.174 . . . . . . A 76 GLY N . 30234 2 stop_ save_