################################### # 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 27673 _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 2 '3D HNCA' . . . 27673 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 8 8 LYS H H 1 7.8745 . . 1 . . . . . 6 LYS HN . 27673 1 2 . 1 1 8 8 LYS CA C 13 55.2106 . . 1 . . . . . 6 LYS CA . 27673 1 3 . 1 1 8 8 LYS N N 15 119.3596 . . 1 . . . . . 6 LYS N . 27673 1 4 . 1 1 9 9 VAL H H 1 8.8715 . . 1 . . . . . 7 VAL HN . 27673 1 5 . 1 1 9 9 VAL CA C 13 60.4792 . . 1 . . . . . 7 VAL CA . 27673 1 6 . 1 1 9 9 VAL N N 15 119.1299 . . 1 . . . . . 7 VAL N . 27673 1 7 . 1 1 10 10 THR H H 1 8.9471 . . 1 . . . . . 8 THR HN . 27673 1 8 . 1 1 10 10 THR CA C 13 61.3859 . . 1 . . . . . 8 THR CA . 27673 1 9 . 1 1 10 10 THR N N 15 122.3232 . . 1 . . . . . 8 THR N . 27673 1 10 . 1 1 11 11 VAL H H 1 8.5674 . . 1 . . . . . 9 VAL HN . 27673 1 11 . 1 1 11 11 VAL CA C 13 60.8773 . . 1 . . . . . 9 VAL CA . 27673 1 12 . 1 1 11 11 VAL N N 15 124.858 . . 1 . . . . . 9 VAL N . 27673 1 13 . 1 1 12 12 HIS H H 1 8.5682 . . 1 . . . . . 10 HIS HN . 27673 1 14 . 1 1 12 12 HIS CA C 13 53.8604 . . 1 . . . . . 10 HIS CA . 27673 1 15 . 1 1 12 12 HIS N N 15 124.8781 . . 1 . . . . . 10 HIS N . 27673 1 16 . 1 1 13 13 PHE H H 1 9.6701 . . 1 . . . . . 11 PHE HN . 27673 1 17 . 1 1 13 13 PHE CA C 13 55.7751 . . 1 . . . . . 11 PHE CA . 27673 1 18 . 1 1 13 13 PHE N N 15 122.6225 . . 1 . . . . . 11 PHE N . 27673 1 19 . 1 1 14 14 LYS H H 1 9.1012 . . 1 . . . . . 12 LYS HN . 27673 1 20 . 1 1 14 14 LYS CA C 13 55.2145 . . 1 . . . . . 12 LYS CA . 27673 1 21 . 1 1 14 14 LYS N N 15 124.7296 . . 1 . . . . . 12 LYS N . 27673 1 22 . 1 1 15 15 ASN H H 1 8.853 . . 1 . . . . . 13 ASN HN . 27673 1 23 . 1 1 15 15 ASN CA C 13 51.3009 . . 1 . . . . . 13 ASN CA . 27673 1 24 . 1 1 15 15 ASN N N 15 124.4583 . . 1 . . . . . 13 ASN N . 27673 1 25 . 1 1 16 16 ARG H H 1 8.4859 . . 1 . . . . . 14 ARG HN . 27673 1 26 . 1 1 16 16 ARG CA C 13 58.9016 . . 1 . . . . . 14 ARG CA . 27673 1 27 . 1 1 16 16 ARG N N 15 119.5662 . . 1 . . . . . 14 ARG N . 27673 1 28 . 1 1 17 17 ASP H H 1 7.7206 . . 1 . . . . . 15 ASP HN . 27673 1 29 . 1 1 17 17 ASP CA C 13 53.5695 . . 1 . . . . . 15 ASP CA . 27673 1 30 . 1 1 17 17 ASP N N 15 116.5859 . . 1 . . . . . 15 ASP N . 27673 1 31 . 1 1 18 18 GLY H H 1 8.027 . . 1 . . . . . 16 GLY HN . 27673 1 32 . 1 1 18 18 GLY CA C 13 45.2974 . . 1 . . . . . 16 GLY CA . 27673 1 33 . 1 1 18 18 GLY N N 15 107.8712 . . 1 . . . . . 16 GLY N . 27673 1 34 . 1 1 19 19 GLU H H 1 7.979 . . 1 . . . . . 17 GLU HN . 27673 1 35 . 1 1 19 19 GLU CA C 13 55.9393 . . 1 . . . . . 17 GLU CA . 27673 1 36 . 1 1 19 19 GLU N N 15 122.2691 . . 1 . . . . . 17 GLU N . 27673 1 37 . 1 1 20 20 THR H H 1 8.722 . . 1 . . . . . 18 THR HN . 27673 1 38 . 1 1 20 20 THR CA C 13 62.5884 . . 1 . . . . . 18 THR CA . 27673 1 39 . 1 1 20 20 THR N N 15 119.0129 . . 1 . . . . . 18 THR N . 27673 1 40 . 1 1 21 21 LEU H H 1 9.6694 . . 1 . . . . . 19 LEU HN . 27673 1 41 . 1 1 21 21 LEU CA C 13 53.4423 . . 1 . . . . . 19 LEU CA . 27673 1 42 . 1 1 21 21 LEU N N 15 129.27 . . 1 . . . . . 19 LEU N . 27673 1 43 . 1 1 22 22 THR H H 1 8.8414 . . 1 . . . . . 20 THR HN . 27673 1 44 . 1 1 22 22 THR CA C 13 60.1568 . . 1 . . . . . 20 THR CA . 27673 1 45 . 1 1 22 22 THR N N 15 117.4449 . . 1 . . . . . 20 THR N . 27673 1 46 . 1 1 23 23 THR H H 1 8.767 . . 1 . . . . . 21 THR HN . 27673 1 47 . 1 1 23 23 THR CA C 13 60.1088 . . 1 . . . . . 21 THR CA . 27673 1 48 . 1 1 23 23 THR N N 15 122.1896 . . 1 . . . . . 21 THR N . 27673 1 49 . 1 1 24 24 LYS H H 1 8.0202 . . 1 . . . . . 22 LYS HN . 27673 1 50 . 1 1 24 24 LYS CA C 13 54.3769 . . 1 . . . . . 22 LYS CA . 27673 1 51 . 1 1 24 24 LYS N N 15 118.5028 . . 1 . . . . . 22 LYS N . 27673 1 52 . 1 1 25 25 GLY H H 1 8.8247 . . 1 . . . . . 23 GLY HN . 27673 1 53 . 1 1 25 25 GLY CA C 13 43.843 . . 1 . . . . . 23 GLY CA . 27673 1 54 . 1 1 25 25 GLY N N 15 108.0524 . . 1 . . . . . 23 GLY N . 27673 1 55 . 1 1 27 27 VAL H H 1 8.2763 . . 1 . . . . . 25 VAL HN . 27673 1 56 . 1 1 27 27 VAL CA C 13 65.5763 . . 1 . . . . . 25 VAL CA . 27673 1 57 . 1 1 27 27 VAL N N 15 121.8357 . . 1 . . . . . 25 VAL N . 27673 1 58 . 1 1 28 28 GLY H H 1 8.8335 . . 1 . . . . . 26 GLY HN . 27673 1 59 . 1 1 28 28 GLY CA C 13 45.0294 . . 1 . . . . . 26 GLY CA . 27673 1 60 . 1 1 28 28 GLY N N 15 116.6837 . . 1 . . . . . 26 GLY N . 27673 1 61 . 1 1 29 29 ASP H H 1 8.2242 . . 1 . . . . . 27 ASP HN . 27673 1 62 . 1 1 29 29 ASP CA C 13 54.8134 . . 1 . . . . . 27 ASP CA . 27673 1 63 . 1 1 29 29 ASP N N 15 123.1024 . . 1 . . . . . 27 ASP N . 27673 1 64 . 1 1 30 30 SER H H 1 9.7095 . . 1 . . . . . 28 SER HN . 27673 1 65 . 1 1 30 30 SER CA C 13 57.1444 . . 1 . . . . . 28 SER CA . 27673 1 66 . 1 1 30 30 SER N N 15 118.6554 . . 1 . . . . . 28 SER N . 27673 1 67 . 1 1 31 31 LEU H H 1 8.2545 . . 1 . . . . . 29 LEU HN . 27673 1 68 . 1 1 31 31 LEU CA C 13 57.2311 . . 1 . . . . . 29 LEU CA . 27673 1 69 . 1 1 31 31 LEU N N 15 119.3788 . . 1 . . . . . 29 LEU N . 27673 1 70 . 1 1 33 33 ASP H H 1 7.869 . . 1 . . . . . 31 ASP HN . 27673 1 71 . 1 1 33 33 ASP CA C 13 58.1093 . . 1 . . . . . 31 ASP CA . 27673 1 72 . 1 1 33 33 ASP N N 15 120.766 . . 1 . . . . . 31 ASP N . 27673 1 73 . 1 1 34 34 VAL H H 1 7.7498 . . 1 . . . . . 32 VAL HN . 27673 1 74 . 1 1 34 34 VAL CA C 13 66.0219 . . 1 . . . . . 32 VAL CA . 27673 1 75 . 1 1 34 34 VAL N N 15 117.0832 . . 1 . . . . . 32 VAL N . 27673 1 76 . 1 1 35 35 VAL H H 1 7.4506 . . 1 . . . . . 33 VAL HN . 27673 1 77 . 1 1 35 35 VAL CA C 13 66.9393 . . 1 . . . . . 33 VAL CA . 27673 1 78 . 1 1 35 35 VAL N N 15 121.3997 . . 1 . . . . . 33 VAL N . 27673 1 79 . 1 1 36 36 ILE H H 1 8.2708 . . 1 . . . . . 34 ILE HN . 27673 1 80 . 1 1 36 36 ILE CA C 13 63.7074 . . 1 . . . . . 34 ILE CA . 27673 1 81 . 1 1 36 36 ILE N N 15 118.364 . . 1 . . . . . 34 ILE N . 27673 1 82 . 1 1 37 37 GLU H H 1 8.9328 . . 1 . . . . . 35 GLU HN . 27673 1 83 . 1 1 37 37 GLU CA C 13 55.5067 . . 1 . . . . . 35 GLU CA . 27673 1 84 . 1 1 37 37 GLU N N 15 120.3998 . . 1 . . . . . 35 GLU N . 27673 1 85 . 1 1 38 38 ASN H H 1 7.1446 . . 1 . . . . . 36 ASN HN . 27673 1 86 . 1 1 38 38 ASN CA C 13 53.4024 . . 1 . . . . . 36 ASN CA . 27673 1 87 . 1 1 38 38 ASN N N 15 111.6258 . . 1 . . . . . 36 ASN N . 27673 1 88 . 1 1 39 39 ASN H H 1 7.8527 . . 1 . . . . . 37 ASN HN . 27673 1 89 . 1 1 39 39 ASN CA C 13 53.9098 . . 1 . . . . . 37 ASN CA . 27673 1 90 . 1 1 39 39 ASN N N 15 117.3494 . . 1 . . . . . 37 ASN N . 27673 1 91 . 1 1 40 40 LEU H H 1 7.7788 . . 1 . . . . . 38 LEU HN . 27673 1 92 . 1 1 40 40 LEU CA C 13 55.4926 . . 1 . . . . . 38 LEU CA . 27673 1 93 . 1 1 40 40 LEU N N 15 115.4333 . . 1 . . . . . 38 LEU N . 27673 1 94 . 1 1 41 41 ASP H H 1 8.4927 . . 1 . . . . . 39 ASP HN . 27673 1 95 . 1 1 41 41 ASP CA C 13 53.4753 . . 1 . . . . . 39 ASP CA . 27673 1 96 . 1 1 41 41 ASP N N 15 122.5499 . . 1 . . . . . 39 ASP N . 27673 1 97 . 1 1 42 42 ILE H H 1 7.5861 . . 1 . . . . . 40 ILE HN . 27673 1 98 . 1 1 42 42 ILE CA C 13 60.1364 . . 1 . . . . . 40 ILE CA . 27673 1 99 . 1 1 42 42 ILE N N 15 123.783 . . 1 . . . . . 40 ILE N . 27673 1 100 . 1 1 43 43 ASP H H 1 8.4734 . . 1 . . . . . 41 ASP HN . 27673 1 101 . 1 1 43 43 ASP CA C 13 56.7127 . . 1 . . . . . 41 ASP CA . 27673 1 102 . 1 1 43 43 ASP N N 15 127.4727 . . 1 . . . . . 41 ASP N . 27673 1 103 . 1 1 44 44 GLY H H 1 8.9702 . . 1 . . . . . 42 GLY HN . 27673 1 104 . 1 1 44 44 GLY CA C 13 46.1386 . . 1 . . . . . 42 GLY CA . 27673 1 105 . 1 1 44 44 GLY N N 15 113.646 . . 1 . . . . . 42 GLY N . 27673 1 106 . 1 1 45 45 PHE H H 1 7.6109 . . 1 . . . . . 43 PHE HN . 27673 1 107 . 1 1 45 45 PHE CA C 13 59.2668 . . 1 . . . . . 43 PHE CA . 27673 1 108 . 1 1 45 45 PHE N N 15 120.9595 . . 1 . . . . . 43 PHE N . 27673 1 109 . 1 1 59 59 LEU H H 1 9.4076 . . 1 . . . . . 57 LEU HN . 27673 1 110 . 1 1 59 59 LEU CA C 13 53.6972 . . 1 . . . . . 57 LEU CA . 27673 1 111 . 1 1 59 59 LEU N N 15 128.2166 . . 1 . . . . . 57 LEU N . 27673 1 112 . 1 1 61 61 PHE H H 1 8.7246 . . 1 . . . . . 59 PHE HN . 27673 1 113 . 1 1 61 61 PHE CA C 13 58.1748 . . 1 . . . . . 59 PHE CA . 27673 1 114 . 1 1 61 61 PHE N N 15 127.5552 . . 1 . . . . . 59 PHE N . 27673 1 115 . 1 1 62 62 GLU H H 1 8.9608 . . 1 . . . . . 60 GLU HN . 27673 1 116 . 1 1 62 62 GLU CA C 13 56.8146 . . 1 . . . . . 60 GLU CA . 27673 1 117 . 1 1 62 62 GLU N N 15 118.785 . . 1 . . . . . 60 GLU N . 27673 1 118 . 1 1 63 63 ASP H H 1 9.205 . . 1 . . . . . 61 ASP HN . 27673 1 119 . 1 1 63 63 ASP CA C 13 58.9764 . . 1 . . . . . 61 ASP CA . 27673 1 120 . 1 1 63 63 ASP N N 15 123.5605 . . 1 . . . . . 61 ASP N . 27673 1 121 . 1 1 64 64 HIS H H 1 8.4755 . . 1 . . . . . 62 HIS HN . 27673 1 122 . 1 1 64 64 HIS N N 15 113.6575 . . 1 . . . . . 62 HIS N . 27673 1 123 . 1 1 65 65 ILE H H 1 6.397 . . 1 . . . . . 63 ILE HN . 27673 1 124 . 1 1 65 65 ILE CA C 13 59.8677 . . 1 . . . . . 63 ILE CA . 27673 1 125 . 1 1 65 65 ILE N N 15 119.4762 . . 1 . . . . . 63 ILE N . 27673 1 126 . 1 1 66 66 TYR H H 1 8.5891 . . 1 . . . . . 64 TYR HN . 27673 1 127 . 1 1 66 66 TYR CA C 13 61.7766 . . 1 . . . . . 64 TYR CA . 27673 1 128 . 1 1 66 66 TYR N N 15 119.8859 . . 1 . . . . . 64 TYR N . 27673 1 129 . 1 1 67 67 GLU H H 1 7.7601 . . 1 . . . . . 65 GLU HN . 27673 1 130 . 1 1 67 67 GLU CA C 13 58.0927 . . 1 . . . . . 65 GLU CA . 27673 1 131 . 1 1 67 67 GLU N N 15 113.1631 . . 1 . . . . . 65 GLU N . 27673 1 132 . 1 1 68 68 LYS H H 1 7.2643 . . 1 . . . . . 66 LYS HN . 27673 1 133 . 1 1 68 68 LYS CA C 13 55.0253 . . 1 . . . . . 66 LYS CA . 27673 1 134 . 1 1 68 68 LYS N N 15 116.0692 . . 1 . . . . . 66 LYS N . 27673 1 135 . 1 1 69 69 LEU H H 1 6.8204 . . 1 . . . . . 67 LEU HN . 27673 1 136 . 1 1 69 69 LEU CA C 13 54.4877 . . 1 . . . . . 67 LEU CA . 27673 1 137 . 1 1 69 69 LEU N N 15 119.2855 . . 1 . . . . . 67 LEU N . 27673 1 138 . 1 1 70 70 ASP H H 1 8.6878 . . 1 . . . . . 68 ASP HN . 27673 1 139 . 1 1 70 70 ASP CA C 13 54.5878 . . 1 . . . . . 68 ASP CA . 27673 1 140 . 1 1 70 70 ASP N N 15 121.2666 . . 1 . . . . . 68 ASP N . 27673 1 141 . 1 1 71 71 ALA H H 1 8.106 . . 1 . . . . . 69 ALA HN . 27673 1 142 . 1 1 71 71 ALA CA C 13 52.5714 . . 1 . . . . . 69 ALA CA . 27673 1 143 . 1 1 71 71 ALA N N 15 121.7765 . . 1 . . . . . 69 ALA N . 27673 1 144 . 1 1 72 72 ILE H H 1 8.2716 . . 1 . . . . . 70 ILE HN . 27673 1 145 . 1 1 72 72 ILE CA C 13 62.9387 . . 1 . . . . . 70 ILE CA . 27673 1 146 . 1 1 72 72 ILE N N 15 123.6065 . . 1 . . . . . 70 ILE N . 27673 1 147 . 1 1 73 73 THR H H 1 8.2953 . . 1 . . . . . 71 THR HN . 27673 1 148 . 1 1 73 73 THR CA C 13 61.4686 . . 1 . . . . . 71 THR CA . 27673 1 149 . 1 1 73 73 THR N N 15 119.5124 . . 1 . . . . . 71 THR N . 27673 1 150 . 1 1 74 74 ASP H H 1 8.9461 . . 1 . . . . . 72 ASP HN . 27673 1 151 . 1 1 74 74 ASP CA C 13 57.9827 . . 1 . . . . . 72 ASP CA . 27673 1 152 . 1 1 74 74 ASP N N 15 122.2921 . . 1 . . . . . 72 ASP N . 27673 1 153 . 1 1 75 75 GLU H H 1 8.9132 . . 1 . . . . . 73 GLU HN . 27673 1 154 . 1 1 75 75 GLU CA C 13 60.5543 . . 1 . . . . . 73 GLU CA . 27673 1 155 . 1 1 75 75 GLU N N 15 117.2977 . . 1 . . . . . 73 GLU N . 27673 1 156 . 1 1 76 76 GLU H H 1 7.4987 . . 1 . . . . . 74 GLU HN . 27673 1 157 . 1 1 76 76 GLU CA C 13 59.3074 . . 1 . . . . . 74 GLU CA . 27673 1 158 . 1 1 76 76 GLU N N 15 119.617 . . 1 . . . . . 74 GLU N . 27673 1 159 . 1 1 77 77 ASN H H 1 8.5246 . . 1 . . . . . 75 ASN HN . 27673 1 160 . 1 1 77 77 ASN CA C 13 56.9902 . . 1 . . . . . 75 ASN CA . 27673 1 161 . 1 1 77 77 ASN N N 15 119.7546 . . 1 . . . . . 75 ASN N . 27673 1 162 . 1 1 78 78 ASP H H 1 8.2249 . . 1 . . . . . 76 ASP HN . 27673 1 163 . 1 1 78 78 ASP CA C 13 57.2352 . . 1 . . . . . 76 ASP CA . 27673 1 164 . 1 1 78 78 ASP N N 15 117.4565 . . 1 . . . . . 76 ASP N . 27673 1 165 . 1 1 79 79 MET H H 1 7.0543 . . 1 . . . . . 77 MET HN . 27673 1 166 . 1 1 79 79 MET CA C 13 55.6305 . . 1 . . . . . 77 MET CA . 27673 1 167 . 1 1 79 79 MET N N 15 116.1078 . . 1 . . . . . 77 MET N . 27673 1 168 . 1 1 80 80 LEU H H 1 8.7902 . . 1 . . . . . 78 LEU HN . 27673 1 169 . 1 1 80 80 LEU CA C 13 57.7404 . . 1 . . . . . 78 LEU CA . 27673 1 170 . 1 1 80 80 LEU N N 15 123.3141 . . 1 . . . . . 78 LEU N . 27673 1 171 . 1 1 81 81 ASP H H 1 7.8505 . . 1 . . . . . 79 ASP HN . 27673 1 172 . 1 1 81 81 ASP CA C 13 56.8588 . . 1 . . . . . 79 ASP CA . 27673 1 173 . 1 1 81 81 ASP N N 15 115.6597 . . 1 . . . . . 79 ASP N . 27673 1 174 . 1 1 82 82 LEU H H 1 7.0419 . . 1 . . . . . 80 LEU HN . 27673 1 175 . 1 1 82 82 LEU CA C 13 53.9437 . . 1 . . . . . 80 LEU CA . 27673 1 176 . 1 1 82 82 LEU N N 15 116.6911 . . 1 . . . . . 80 LEU N . 27673 1 177 . 1 1 83 83 ALA H H 1 7.8162 . . 1 . . . . . 81 ALA HN . 27673 1 178 . 1 1 83 83 ALA CA C 13 52.278 . . 1 . . . . . 81 ALA CA . 27673 1 179 . 1 1 83 83 ALA N N 15 124.0464 . . 1 . . . . . 81 ALA N . 27673 1 180 . 1 1 84 84 PHE H H 1 8.3152 . . 1 . . . . . 82 PHE HN . 27673 1 181 . 1 1 84 84 PHE CA C 13 57.88 . . 1 . . . . . 82 PHE CA . 27673 1 182 . 1 1 84 84 PHE N N 15 122.7234 . . 1 . . . . . 82 PHE N . 27673 1 183 . 1 1 85 85 GLY H H 1 8.3807 . . 1 . . . . . 83 GLY HN . 27673 1 184 . 1 1 85 85 GLY CA C 13 46.4168 . . 1 . . . . . 83 GLY CA . 27673 1 185 . 1 1 85 85 GLY N N 15 112.7194 . . 1 . . . . . 83 GLY N . 27673 1 186 . 1 1 86 86 LEU H H 1 7.2111 . . 1 . . . . . 84 LEU HN . 27673 1 187 . 1 1 86 86 LEU CA C 13 56.75 . . 1 . . . . . 84 LEU CA . 27673 1 188 . 1 1 86 86 LEU N N 15 118.4937 . . 1 . . . . . 84 LEU N . 27673 1 189 . 1 1 87 87 THR H H 1 8.8414 . . 1 . . . . . 85 THR HN . 27673 1 190 . 1 1 87 87 THR CA C 13 60.1568 . . 1 . . . . . 85 THR CA . 27673 1 191 . 1 1 87 87 THR N N 15 117.4449 . . 1 . . . . . 85 THR N . 27673 1 192 . 1 1 88 88 ASN H H 1 8.5507 . . 1 . . . . . 86 ASN HN . 27673 1 193 . 1 1 88 88 ASN CA C 13 53.266 . . 1 . . . . . 86 ASN CA . 27673 1 194 . 1 1 88 88 ASN N N 15 116.7429 . . 1 . . . . . 86 ASN N . 27673 1 195 . 1 1 89 89 ARG H H 1 8.3741 . . 1 . . . . . 87 ARG HN . 27673 1 196 . 1 1 89 89 ARG CA C 13 53.5248 . . 1 . . . . . 87 ARG CA . 27673 1 197 . 1 1 89 89 ARG N N 15 120.0657 . . 1 . . . . . 87 ARG N . 27673 1 198 . 1 1 90 90 SER H H 1 7.0325 . . 1 . . . . . 88 SER HN . 27673 1 199 . 1 1 90 90 SER CA C 13 60.6712 . . 1 . . . . . 88 SER CA . 27673 1 200 . 1 1 90 90 SER N N 15 120.1552 . . 1 . . . . . 88 SER N . 27673 1 201 . 1 1 91 91 ARG H H 1 9.3514 . . 1 . . . . . 89 ARG HN . 27673 1 202 . 1 1 91 91 ARG CA C 13 52.6387 . . 1 . . . . . 89 ARG CA . 27673 1 203 . 1 1 91 91 ARG N N 15 118.1076 . . 1 . . . . . 89 ARG N . 27673 1 204 . 1 1 97 97 CYS H H 1 7.93 . . 1 . . . . . 95 CYS HN . 27673 1 205 . 1 1 97 97 CYS CA C 13 54.8877 . . 1 . . . . . 95 CYS CA . 27673 1 206 . 1 1 97 97 CYS N N 15 125.2228 . . 1 . . . . . 95 CYS N . 27673 1 207 . 1 1 99 99 THR H H 1 7.7075 . . 1 . . . . . 97 THR HN . 27673 1 208 . 1 1 99 99 THR N N 15 113.4639 . . 1 . . . . . 97 THR N . 27673 1 209 . 1 1 100 100 LYS H H 1 9.1121 . . 1 . . . . . 98 LYS HN . 27673 1 210 . 1 1 100 100 LYS CA C 13 59.0586 . . 1 . . . . . 98 LYS CA . 27673 1 211 . 1 1 100 100 LYS N N 15 120.3638 . . 1 . . . . . 98 LYS N . 27673 1 212 . 1 1 101 101 ALA H H 1 7.8041 . . 1 . . . . . 99 ALA HN . 27673 1 213 . 1 1 101 101 ALA CA C 13 53.6283 . . 1 . . . . . 99 ALA CA . 27673 1 214 . 1 1 101 101 ALA N N 15 120.2224 . . 1 . . . . . 99 ALA N . 27673 1 215 . 1 1 102 102 MET H H 1 7.5296 . . 1 . . . . . 100 MET HN . 27673 1 216 . 1 1 102 102 MET CA C 13 56.4977 . . 1 . . . . . 100 MET CA . 27673 1 217 . 1 1 102 102 MET N N 15 115.9109 . . 1 . . . . . 100 MET N . 27673 1 218 . 1 1 103 103 ASP H H 1 7.195 . . 1 . . . . . 101 ASP HN . 27673 1 219 . 1 1 103 103 ASP CA C 13 56.8343 . . 1 . . . . . 101 ASP CA . 27673 1 220 . 1 1 103 103 ASP N N 15 117.8388 . . 1 . . . . . 101 ASP N . 27673 1 221 . 1 1 104 104 ASN H H 1 9.9523 . . 1 . . . . . 102 ASN HN . 27673 1 222 . 1 1 104 104 ASN CA C 13 56.7549 . . 1 . . . . . 102 ASN CA . 27673 1 223 . 1 1 104 104 ASN N N 15 122.014 . . 1 . . . . . 102 ASN N . 27673 1 224 . 1 1 105 105 MET H H 1 8.3691 . . 1 . . . . . 103 MET HN . 27673 1 225 . 1 1 105 105 MET CA C 13 56.39 . . 1 . . . . . 103 MET CA . 27673 1 226 . 1 1 105 105 MET N N 15 118.0907 . . 1 . . . . . 103 MET N . 27673 1 227 . 1 1 106 106 THR H H 1 8.671 . . 1 . . . . . 104 THR HN . 27673 1 228 . 1 1 106 106 THR CA C 13 61.6245 . . 1 . . . . . 104 THR CA . 27673 1 229 . 1 1 106 106 THR N N 15 117.1113 . . 1 . . . . . 104 THR N . 27673 1 230 . 1 1 107 107 VAL H H 1 8.9471 . . 1 . . . . . 105 VAL HN . 27673 1 231 . 1 1 107 107 VAL CA C 13 61.3859 . . 1 . . . . . 105 VAL CA . 27673 1 232 . 1 1 107 107 VAL N N 15 122.3232 . . 1 . . . . . 105 VAL N . 27673 1 233 . 1 1 109 109 VAL H H 1 7.2331 . . 1 . . . . . 107 VAL HN . 27673 1 234 . 1 1 109 109 VAL CA C 13 62.3367 . . 1 . . . . . 107 VAL CA . 27673 1 235 . 1 1 109 109 VAL N N 15 121.0262 . . 1 . . . . . 107 VAL N . 27673 1 236 . 1 1 111 111 GLU H H 1 8.6596 . . 1 . . . . . 109 GLU HN . 27673 1 237 . 1 1 111 111 GLU CA C 13 57.401 . . 1 . . . . . 109 GLU CA . 27673 1 238 . 1 1 111 111 GLU N N 15 120.4625 . . 1 . . . . . 109 GLU N . 27673 1 239 . 1 1 112 112 ALA H H 1 8.382 . . 1 . . . . . 110 ALA HN . 27673 1 240 . 1 1 112 112 ALA CA C 13 51.7369 . . 1 . . . . . 110 ALA CA . 27673 1 241 . 1 1 112 112 ALA N N 15 123.4372 . . 1 . . . . . 110 ALA N . 27673 1 242 . 1 1 113 113 VAL H H 1 7.8062 . . 1 . . . . . 111 VAL HN . 27673 1 243 . 1 1 113 113 VAL CA C 13 61.5165 . . 1 . . . . . 111 VAL CA . 27673 1 244 . 1 1 113 113 VAL N N 15 118.1766 . . 1 . . . . . 111 VAL N . 27673 1 245 . 1 1 114 114 ALA H H 1 8.0895 . . 1 . . . . . 112 ALA HN . 27673 1 246 . 1 1 114 114 ALA CA C 13 52.2421 . . 1 . . . . . 112 ALA CA . 27673 1 247 . 1 1 114 114 ALA N N 15 126.9805 . . 1 . . . . . 112 ALA N . 27673 1 248 . 1 1 115 115 ASP H H 1 8.207 . . 1 . . . . . 113 ASP HN . 27673 1 249 . 1 1 115 115 ASP CA C 13 54.1593 . . 1 . . . . . 113 ASP CA . 27673 1 250 . 1 1 115 115 ASP N N 15 120.2195 . . 1 . . . . . 113 ASP N . 27673 1 251 . 1 1 116 116 VAL H H 1 8.0352 . . 1 . . . . . 114 VAL HN . 27673 1 252 . 1 1 116 116 VAL CA C 13 62.2492 . . 1 . . . . . 114 VAL CA . 27673 1 253 . 1 1 116 116 VAL N N 15 120.6415 . . 1 . . . . . 114 VAL N . 27673 1 254 . 1 1 118 118 GLN H H 1 8.41 . . 1 . . . . . 116 GLN HN . 27673 1 255 . 1 1 118 118 GLN CA C 13 55.9193 . . 1 . . . . . 116 GLN CA . 27673 1 256 . 1 1 118 118 GLN N N 15 122.2796 . . 1 . . . . . 116 GLN N . 27673 1 257 . 1 1 119 119 SER H H 1 8.0685 . . 1 . . . . . 117 SER HN . 27673 1 258 . 1 1 119 119 SER CA C 13 57.1402 . . 1 . . . . . 117 SER CA . 27673 1 259 . 1 1 119 119 SER N N 15 123.1618 . . 1 . . . . . 117 SER N . 27673 1 260 . 1 1 125 125 ASN H H 1 8.01807 . . 1 . . . . . 123 ASN HN . 27673 1 261 . 1 1 125 125 ASN N N 15 125.6016 . . 1 . . . . . 123 ASN N . 27673 1 stop_ save_