################################### # 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 17630 _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 . _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' . . . 17630 1 2 '3D HNCA' . . . 17630 1 3 '3D HNCACB' . . . 17630 1 4 '3D HN(CO)CA' . . . 17630 1 5 '3D CBCA(CO)NH' . . . 17630 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 1 1 SER CA C 13 58.68 0.1 . 1 . . . . 23 SER CA . 17630 1 2 . 1 1 2 2 GLU H H 1 8.666 0.01 . 1 . . . . 24 GLU H . 17630 1 3 . 1 1 2 2 GLU CA C 13 56.64 0.1 . 1 . . . . 24 GLU CA . 17630 1 4 . 1 1 2 2 GLU N N 15 122.634 0.2 . 1 . . . . 24 GLU N . 17630 1 5 . 1 1 3 3 LEU H H 1 8.08 0.01 . 1 . . . . 25 LEU H . 17630 1 6 . 1 1 3 3 LEU CA C 13 55.1 0.1 . 1 . . . . 25 LEU CA . 17630 1 7 . 1 1 3 3 LEU N N 15 122.251 0.2 . 1 . . . . 25 LEU N . 17630 1 8 . 1 1 4 4 LEU H H 1 8.055 0.01 . 1 . . . . 26 LEU H . 17630 1 9 . 1 1 4 4 LEU CA C 13 54.7 0.1 . 1 . . . . 26 LEU CA . 17630 1 10 . 1 1 4 4 LEU N N 15 122.683 0.2 . 1 . . . . 26 LEU N . 17630 1 11 . 1 1 5 5 GLU H H 1 8.283 0.01 . 1 . . . . 27 GLU H . 17630 1 12 . 1 1 5 5 GLU CA C 13 56.79 0.1 . 1 . . . . 27 GLU CA . 17630 1 13 . 1 1 5 5 GLU N N 15 121.625 0.2 . 1 . . . . 27 GLU N . 17630 1 14 . 1 1 6 6 GLY H H 1 8.47 0.01 . 1 . . . . 28 GLY H . 17630 1 15 . 1 1 6 6 GLY CA C 13 45.24 0.1 . 1 . . . . 28 GLY CA . 17630 1 16 . 1 1 6 6 GLY N N 15 110.391 0.2 . 1 . . . . 28 GLY N . 17630 1 17 . 1 1 7 7 GLN H H 1 8.099 0.01 . 1 . . . . 29 GLN H . 17630 1 18 . 1 1 7 7 GLN CA C 13 55.21 0.1 . 1 . . . . 29 GLN CA . 17630 1 19 . 1 1 7 7 GLN N N 15 119.536 0.2 . 1 . . . . 29 GLN N . 17630 1 20 . 1 1 8 8 GLU H H 1 8.526 0.01 . 1 . . . . 30 GLU H . 17630 1 21 . 1 1 8 8 GLU CA C 13 54.6 0.1 . 1 . . . . 30 GLU CA . 17630 1 22 . 1 1 8 8 GLU N N 15 123.358 0.2 . 1 . . . . 30 GLU N . 17630 1 23 . 1 1 9 9 PRO CA C 13 62.23 0.1 . 1 . . . . 31 PRO CA . 17630 1 24 . 1 1 10 10 ASP H H 1 8.435 0.01 . 1 . . . . 32 ASP H . 17630 1 25 . 1 1 10 10 ASP CA C 13 54.82 0.1 . 1 . . . . 32 ASP CA . 17630 1 26 . 1 1 10 10 ASP N N 15 120.142 0.2 . 1 . . . . 32 ASP N . 17630 1 27 . 1 1 11 11 GLY H H 1 8.279 0.01 . 1 . . . . 33 GLY H . 17630 1 28 . 1 1 11 11 GLY CA C 13 45.68 0.1 . 1 . . . . 33 GLY CA . 17630 1 29 . 1 1 11 11 GLY N N 15 108.517 0.2 . 1 . . . . 33 GLY N . 17630 1 30 . 1 1 12 12 VAL H H 1 7.729 0.01 . 1 . . . . 34 VAL H . 17630 1 31 . 1 1 12 12 VAL CA C 13 63.008 0.1 . 1 . . . . 34 VAL CA . 17630 1 32 . 1 1 12 12 VAL N N 15 119.782 0.2 . 1 . . . . 34 VAL N . 17630 1 33 . 1 1 13 13 ARG H H 1 8.166 0.01 . 1 . . . . 35 ARG H . 17630 1 34 . 1 1 13 13 ARG CA C 13 56.59 0.1 . 1 . . . . 35 ARG CA . 17630 1 35 . 1 1 13 13 ARG N N 15 123.408 0.2 . 1 . . . . 35 ARG N . 17630 1 36 . 1 1 14 14 PHE H H 1 8.376 0.01 . 1 . . . . 36 PHE H . 17630 1 37 . 1 1 14 14 PHE CA C 13 58.33 0.1 . 1 . . . . 36 PHE CA . 17630 1 38 . 1 1 14 14 PHE N N 15 122.221 0.2 . 1 . . . . 36 PHE N . 17630 1 39 . 1 1 18 18 ARG CA C 13 58.841 0.1 . 1 . . . . 40 ARG CA . 17630 1 40 . 1 1 19 19 ALA H H 1 8.031 0.01 . 1 . . . . 41 ALA H . 17630 1 41 . 1 1 19 19 ALA CA C 13 54.98 0.1 . 1 . . . . 41 ALA CA . 17630 1 42 . 1 1 19 19 ALA N N 15 121.449 0.2 . 1 . . . . 41 ALA N . 17630 1 43 . 1 1 20 20 ARG H H 1 8.041 0.01 . 1 . . . . 42 ARG H . 17630 1 44 . 1 1 20 20 ARG CA C 13 59.14 0.1 . 1 . . . . 42 ARG CA . 17630 1 45 . 1 1 20 20 ARG N N 15 119.103 0.2 . 1 . . . . 42 ARG N . 17630 1 46 . 1 1 21 21 ARG H H 1 7.91 0.01 . 1 . . . . 43 ARG H . 17630 1 47 . 1 1 21 21 ARG CA C 13 53.75 0.1 . 1 . . . . 43 ARG CA . 17630 1 48 . 1 1 21 21 ARG N N 15 118.222 0.2 . 1 . . . . 43 ARG N . 17630 1 49 . 1 1 26 26 VAL CA C 13 61.94 0.1 . 1 . . . . 48 VAL CA . 17630 1 50 . 1 1 27 27 SER H H 1 7.663 0.01 . 1 . . . . 49 SER H . 17630 1 51 . 1 1 27 27 SER CA C 13 59.92 0.1 . 1 . . . . 49 SER CA . 17630 1 52 . 1 1 27 27 SER N N 15 116.568 0.2 . 1 . . . . 49 SER N . 17630 1 53 . 1 1 28 28 GLY H H 1 7.902 0.01 . 1 . . . . 50 GLY H . 17630 1 54 . 1 1 28 28 GLY CA C 13 44.91 0.1 . 1 . . . . 50 GLY CA . 17630 1 55 . 1 1 28 28 GLY N N 15 110.388 0.2 . 1 . . . . 50 GLY N . 17630 1 56 . 1 1 29 29 ALA H H 1 8.084 0.01 . 1 . . . . 51 ALA H . 17630 1 57 . 1 1 29 29 ALA CA C 13 52.44 0.1 . 1 . . . . 51 ALA CA . 17630 1 58 . 1 1 29 29 ALA N N 15 123.219 0.2 . 1 . . . . 51 ALA N . 17630 1 59 . 1 1 30 30 GLN H H 1 8.099 0.01 . 1 . . . . 52 GLN H . 17630 1 60 . 1 1 30 30 GLN CA C 13 59.63 0.1 . 1 . . . . 52 GLN CA . 17630 1 61 . 1 1 30 30 GLN N N 15 119.536 0.2 . 1 . . . . 52 GLN N . 17630 1 62 . 1 1 31 31 PRO CA C 13 62.623 0.1 . 1 . . . . 53 PRO CA . 17630 1 63 . 1 1 32 32 VAL H H 1 8.457 0.01 . 1 . . . . 54 VAL H . 17630 1 64 . 1 1 32 32 VAL CA C 13 62.173 0.1 . 1 . . . . 54 VAL CA . 17630 1 65 . 1 1 32 32 VAL N N 15 121.652 0.2 . 1 . . . . 54 VAL N . 17630 1 66 . 1 1 33 33 GLY H H 1 8.256 0.01 . 1 . . . . 55 GLY H . 17630 1 67 . 1 1 33 33 GLY CA C 13 44.008 0.1 . 1 . . . . 55 GLY CA . 17630 1 68 . 1 1 33 33 GLY N N 15 113.087 0.2 . 1 . . . . 55 GLY N . 17630 1 69 . 1 1 34 34 ARG H H 1 8.442 0.01 . 1 . . . . 56 ARG H . 17630 1 70 . 1 1 34 34 ARG CA C 13 59.826 0.1 . 1 . . . . 56 ARG CA . 17630 1 71 . 1 1 34 34 ARG N N 15 119.204 0.2 . 1 . . . . 56 ARG N . 17630 1 72 . 1 1 35 35 GLU H H 1 8.805 0.01 . 1 . . . . 57 GLU H . 17630 1 73 . 1 1 35 35 GLU CA C 13 59.701 0.1 . 1 . . . . 57 GLU CA . 17630 1 74 . 1 1 35 35 GLU N N 15 118.743 0.2 . 1 . . . . 57 GLU N . 17630 1 75 . 1 1 49 49 THR H H 1 8.223 0.01 . 1 . . . . 71 THR H . 17630 1 76 . 1 1 49 49 THR CA C 13 58.54 0.1 . 1 . . . . 71 THR CA . 17630 1 77 . 1 1 49 49 THR N N 15 109.344 0.2 . 1 . . . . 71 THR N . 17630 1 78 . 1 1 50 50 ASN H H 1 8.961 0.01 . 1 . . . . 72 ASN H . 17630 1 79 . 1 1 50 50 ASN CA C 13 55.66 0.1 . 1 . . . . 72 ASN CA . 17630 1 80 . 1 1 50 50 ASN N N 15 116.936 0.2 . 1 . . . . 72 ASN N . 17630 1 81 . 1 1 51 51 THR H H 1 7.696 0.01 . 1 . . . . 73 THR H . 17630 1 82 . 1 1 51 51 THR CA C 13 60.88 0.1 . 1 . . . . 73 THR CA . 17630 1 83 . 1 1 51 51 THR N N 15 126.903 0.2 . 1 . . . . 73 THR N . 17630 1 84 . 1 1 52 52 GLN H H 1 7.649 0.01 . 1 . . . . 74 GLN H . 17630 1 85 . 1 1 52 52 GLN CA C 13 55.43 0.1 . 1 . . . . 74 GLN CA . 17630 1 86 . 1 1 52 52 GLN N N 15 122.971 0.2 . 1 . . . . 74 GLN N . 17630 1 87 . 1 1 53 53 CYS H H 1 8.408 0.01 . 1 . . . . 75 CYS H . 17630 1 88 . 1 1 53 53 CYS CA C 13 58.69 0.1 . 1 . . . . 75 CYS CA . 17630 1 89 . 1 1 53 53 CYS N N 15 127.025 0.2 . 1 . . . . 75 CYS N . 17630 1 90 . 1 1 54 54 LYS H H 1 9.186 0.01 . 1 . . . . 76 LYS H . 17630 1 91 . 1 1 54 54 LYS CA C 13 58.76 0.1 . 1 . . . . 76 LYS CA . 17630 1 92 . 1 1 54 54 LYS N N 15 127.796 0.2 . 1 . . . . 76 LYS N . 17630 1 93 . 1 1 55 55 VAL H H 1 7.674 0.01 . 1 . . . . 77 VAL H . 17630 1 94 . 1 1 55 55 VAL CA C 13 65.65 0.1 . 1 . . . . 77 VAL CA . 17630 1 95 . 1 1 55 55 VAL N N 15 119.185 0.2 . 1 . . . . 77 VAL N . 17630 1 96 . 1 1 56 56 CYS H H 1 8.704 0.01 . 1 . . . . 78 CYS H . 17630 1 97 . 1 1 56 56 CYS CA C 13 60.34 0.1 . 1 . . . . 78 CYS CA . 17630 1 98 . 1 1 56 56 CYS N N 15 120.319 0.2 . 1 . . . . 78 CYS N . 17630 1 99 . 1 1 57 57 CYS H H 1 7.848 0.01 . 1 . . . . 79 CYS H . 17630 1 100 . 1 1 57 57 CYS CA C 13 59.9 0.1 . 1 . . . . 79 CYS CA . 17630 1 101 . 1 1 57 57 CYS N N 15 116.354 0.2 . 1 . . . . 79 CYS N . 17630 1 102 . 1 1 58 58 ALA H H 1 7.451 0.01 . 1 . . . . 80 ALA H . 17630 1 103 . 1 1 58 58 ALA CA C 13 49.83 0.1 . 1 . . . . 80 ALA CA . 17630 1 104 . 1 1 58 58 ALA N N 15 120.593 0.2 . 1 . . . . 80 ALA N . 17630 1 105 . 1 1 59 59 LEU H H 1 8.451 0.01 . 1 . . . . 81 LEU H . 17630 1 106 . 1 1 59 59 LEU CA C 13 54.3 0.1 . 1 . . . . 81 LEU CA . 17630 1 107 . 1 1 59 59 LEU N N 15 124.977 0.2 . 1 . . . . 81 LEU N . 17630 1 108 . 1 1 60 60 LEU H H 1 8.12 0.01 . 1 . . . . 82 LEU H . 17630 1 109 . 1 1 60 60 LEU CA C 13 52.633 0.1 . 1 . . . . 82 LEU CA . 17630 1 110 . 1 1 60 60 LEU N N 15 125.675 0.2 . 1 . . . . 82 LEU N . 17630 1 111 . 1 1 61 61 ILE H H 1 8.125 0.01 . 1 . . . . 83 ILE H . 17630 1 112 . 1 1 61 61 ILE CA C 13 61.87 0.1 . 1 . . . . 83 ILE CA . 17630 1 113 . 1 1 61 61 ILE N N 15 116.564 0.2 . 1 . . . . 83 ILE N . 17630 1 114 . 1 1 62 62 SER H H 1 8.125 0.01 . 1 . . . . 84 SER H . 17630 1 115 . 1 1 62 62 SER CA C 13 55.89 0.1 . 1 . . . . 84 SER CA . 17630 1 116 . 1 1 62 62 SER N N 15 113.324 0.2 . 1 . . . . 84 SER N . 17630 1 117 . 1 1 63 63 GLU H H 1 7.814 0.01 . 1 . . . . 85 GLU H . 17630 1 118 . 1 1 65 65 GLN H H 1 7.387 0.01 . 1 . . . . 87 GLN H . 17630 1 119 . 1 1 65 65 GLN CA C 13 58.694 0.1 . 1 . . . . 87 GLN CA . 17630 1 120 . 1 1 65 65 GLN N N 15 122.864 0.2 . 1 . . . . 87 GLN N . 17630 1 121 . 1 1 66 66 LYS H H 1 8.323 0.01 . 1 . . . . 88 LYS H . 17630 1 122 . 1 1 66 66 LYS CA C 13 59.904 0.1 . 1 . . . . 88 LYS CA . 17630 1 123 . 1 1 66 66 LYS N N 15 121.888 0.2 . 1 . . . . 88 LYS N . 17630 1 124 . 1 1 67 67 LEU H H 1 8.213 0.01 . 1 . . . . 89 LEU H . 17630 1 125 . 1 1 67 67 LEU CA C 13 58.232 0.1 . 1 . . . . 89 LEU CA . 17630 1 126 . 1 1 67 67 LEU N N 15 118.123 0.2 . 1 . . . . 89 LEU N . 17630 1 127 . 1 1 68 68 ALA H H 1 7.746 0.01 . 1 . . . . 90 ALA H . 17630 1 128 . 1 1 68 68 ALA CA C 13 54.5 0.1 . 1 . . . . 90 ALA CA . 17630 1 129 . 1 1 68 68 ALA N N 15 118.219 0.2 . 1 . . . . 90 ALA N . 17630 1 130 . 1 1 69 69 HIS H H 1 8.303 0.01 . 1 . . . . 91 HIS H . 17630 1 131 . 1 1 69 69 HIS CA C 13 60.58 0.1 . 1 . . . . 91 HIS CA . 17630 1 132 . 1 1 69 69 HIS N N 15 115.77 0.2 . 1 . . . . 91 HIS N . 17630 1 133 . 1 1 70 70 TYR H H 1 7.887 0.01 . 1 . . . . 92 TYR H . 17630 1 134 . 1 1 70 70 TYR CA C 13 61.11 0.1 . 1 . . . . 92 TYR CA . 17630 1 135 . 1 1 70 70 TYR N N 15 116.614 0.2 . 1 . . . . 92 TYR N . 17630 1 136 . 1 1 71 71 GLN H H 1 7.374 0.01 . 1 . . . . 93 GLN H . 17630 1 137 . 1 1 71 71 GLN CA C 13 56.192 0.1 . 1 . . . . 93 GLN CA . 17630 1 138 . 1 1 71 71 GLN N N 15 114.647 0.2 . 1 . . . . 93 GLN N . 17630 1 139 . 1 1 72 72 SER H H 1 7.337 0.01 . 1 . . . . 94 SER H . 17630 1 140 . 1 1 72 72 SER CA C 13 58.991 0.1 . 1 . . . . 94 SER CA . 17630 1 141 . 1 1 72 72 SER N N 15 115.451 0.2 . 1 . . . . 94 SER N . 17630 1 142 . 1 1 73 73 LYS CA C 13 58.46 0.1 . 1 . . . . 95 LYS CA . 17630 1 143 . 1 1 74 74 LYS H H 1 8.356 0.01 . 1 . . . . 96 LYS H . 17630 1 144 . 1 1 74 74 LYS CA C 13 59.98 0.1 . 1 . . . . 96 LYS CA . 17630 1 145 . 1 1 74 74 LYS N N 15 118.738 0.2 . 1 . . . . 96 LYS N . 17630 1 146 . 1 1 75 75 HIS H H 1 7.212 0.01 . 1 . . . . 97 HIS H . 17630 1 147 . 1 1 75 75 HIS CA C 13 59.77 0.1 . 1 . . . . 97 HIS CA . 17630 1 148 . 1 1 75 75 HIS N N 15 117.237 0.2 . 1 . . . . 97 HIS N . 17630 1 149 . 1 1 76 76 ALA H H 1 7.364 0.01 . 1 . . . . 98 ALA H . 17630 1 150 . 1 1 76 76 ALA CA C 13 55.51 0.1 . 1 . . . . 98 ALA CA . 17630 1 151 . 1 1 76 76 ALA N N 15 121.172 0.2 . 1 . . . . 98 ALA N . 17630 1 152 . 1 1 77 77 ASN H H 1 8.502 0.01 . 1 . . . . 99 ASN H . 17630 1 153 . 1 1 77 77 ASN CA C 13 55.55 0.1 . 1 . . . . 99 ASN CA . 17630 1 154 . 1 1 77 77 ASN N N 15 115.609 0.2 . 1 . . . . 99 ASN N . 17630 1 155 . 1 1 79 79 VAL CA C 13 67.04 0.1 . 1 . . . . 101 VAL CA . 17630 1 156 . 1 1 80 80 LYS H H 1 8.133 0.01 . 1 . . . . 102 LYS H . 17630 1 157 . 1 1 80 80 LYS CA C 13 60.503 0.1 . 1 . . . . 102 LYS CA . 17630 1 158 . 1 1 80 80 LYS N N 15 119.73 0.2 . 1 . . . . 102 LYS N . 17630 1 159 . 1 1 81 81 ARG H H 1 7.643 0.01 . 1 . . . . 103 ARG H . 17630 1 160 . 1 1 81 81 ARG CA C 13 58.76 0.1 . 1 . . . . 103 ARG CA . 17630 1 161 . 1 1 81 81 ARG N N 15 118.479 0.2 . 1 . . . . 103 ARG N . 17630 1 162 . 1 1 82 82 TYR CA C 13 61.71 0.1 . 1 . . . . 104 TYR CA . 17630 1 163 . 1 1 83 83 LEU H H 1 8.621 0.01 . 1 . . . . 105 LEU H . 17630 1 164 . 1 1 83 83 LEU CA C 13 57.484 0.1 . 1 . . . . 105 LEU CA . 17630 1 165 . 1 1 83 83 LEU N N 15 118.748 0.2 . 1 . . . . 105 LEU N . 17630 1 166 . 1 1 84 84 ALA H H 1 7.887 0.01 . 1 . . . . 106 ALA H . 17630 1 167 . 1 1 84 84 ALA CA C 13 54.752 0.1 . 1 . . . . 106 ALA CA . 17630 1 168 . 1 1 84 84 ALA N N 15 121.818 0.2 . 1 . . . . 106 ALA N . 17630 1 169 . 1 1 85 85 ILE H H 1 7.821 0.01 . 1 . . . . 107 ILE H . 17630 1 170 . 1 1 85 85 ILE CA C 13 63.4 0.1 . 1 . . . . 107 ILE CA . 17630 1 171 . 1 1 85 85 ILE N N 15 117.325 0.2 . 1 . . . . 107 ILE N . 17630 1 172 . 1 1 86 86 HIS H H 1 7.46 0.01 . 1 . . . . 108 HIS H . 17630 1 173 . 1 1 86 86 HIS CA C 13 56.95 0.1 . 1 . . . . 108 HIS CA . 17630 1 174 . 1 1 86 86 HIS N N 15 117.125 0.2 . 1 . . . . 108 HIS N . 17630 1 175 . 1 1 87 87 GLY H H 1 7.782 0.01 . 1 . . . . 109 GLY H . 17630 1 176 . 1 1 87 87 GLY CA C 13 45.99 0.1 . 1 . . . . 109 GLY CA . 17630 1 177 . 1 1 87 87 GLY N N 15 107.589 0.2 . 1 . . . . 109 GLY N . 17630 1 178 . 1 1 88 88 MET H H 1 8.041 0.01 . 1 . . . . 110 MET H . 17630 1 179 . 1 1 88 88 MET CA C 13 55.132 0.1 . 1 . . . . 110 MET CA . 17630 1 180 . 1 1 88 88 MET N N 15 119.103 0.2 . 1 . . . . 110 MET N . 17630 1 181 . 1 1 89 89 GLU H H 1 8.356 0.01 . 1 . . . . 111 GLU H . 17630 1 182 . 1 1 89 89 GLU CA C 13 56.951 0.1 . 1 . . . . 111 GLU CA . 17630 1 183 . 1 1 89 89 GLU N N 15 121.021 0.2 . 1 . . . . 111 GLU N . 17630 1 184 . 1 1 90 90 THR H H 1 7.917 0.01 . 1 . . . . 112 THR H . 17630 1 185 . 1 1 90 90 THR CA C 13 61.8 0.1 . 1 . . . . 112 THR CA . 17630 1 186 . 1 1 90 90 THR N N 15 114.366 0.2 . 1 . . . . 112 THR N . 17630 1 187 . 1 1 91 91 LEU H H 1 8.114 0.01 . 1 . . . . 113 LEU H . 17630 1 188 . 1 1 91 91 LEU CA C 13 54.902 0.1 . 1 . . . . 113 LEU CA . 17630 1 189 . 1 1 91 91 LEU N N 15 124.189 0.2 . 1 . . . . 113 LEU N . 17630 1 190 . 1 1 92 92 LYS H H 1 8.216 0.01 . 1 . . . . 114 LYS H . 17630 1 191 . 1 1 92 92 LYS CA C 13 56.42 0.1 . 1 . . . . 114 LYS CA . 17630 1 192 . 1 1 92 92 LYS N N 15 122.207 0.2 . 1 . . . . 114 LYS N . 17630 1 193 . 1 1 93 93 GLY H H 1 8.325 0.01 . 1 . . . . 115 GLY H . 17630 1 194 . 1 1 93 93 GLY CA C 13 44.99 0.1 . 1 . . . . 115 GLY CA . 17630 1 195 . 1 1 93 93 GLY N N 15 110.313 0.2 . 1 . . . . 115 GLY N . 17630 1 196 . 1 1 94 94 GLU H H 1 8.236 0.01 . 1 . . . . 116 GLU H . 17630 1 197 . 1 1 94 94 GLU CA C 13 56.492 0.1 . 1 . . . . 116 GLU CA . 17630 1 198 . 1 1 94 94 GLU N N 15 120.745 0.2 . 1 . . . . 116 GLU N . 17630 1 199 . 1 1 95 95 THR H H 1 7.79 0.01 . 1 . . . . 117 THR H . 17630 1 200 . 1 1 95 95 THR CA C 13 63.23 0.1 . 1 . . . . 117 THR CA . 17630 1 201 . 1 1 95 95 THR N N 15 119.657 0.2 . 1 . . . . 117 THR N . 17630 1 stop_ save_