################################### # 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 16134 _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' . . . 16134 1 2 '3D CBCA(CO)NH' . . . 16134 1 3 '3D HNCACB' . . . 16134 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 49 49 ALA CA C 13 54.943 . . 1 . . . . 49 ALA CA . 16134 1 2 . 1 1 49 49 ALA CB C 13 18.558 . . 1 . . . . 49 ALA CB . 16134 1 3 . 1 1 50 50 ASP H H 1 8.107 . . 1 . . . . 50 ASP HN . 16134 1 4 . 1 1 50 50 ASP CA C 13 57.255 . . 1 . . . . 50 ASP CA . 16134 1 5 . 1 1 50 50 ASP CB C 13 40.523 . . 1 . . . . 50 ASP CB . 16134 1 6 . 1 1 50 50 ASP N N 15 118.872 . . 1 . . . . 50 ASP N . 16134 1 7 . 1 1 51 51 ILE H H 1 8.117 . . 1 . . . . 51 ILE HN . 16134 1 8 . 1 1 51 51 ILE CA C 13 65.830 . . 1 . . . . 51 ILE CA . 16134 1 9 . 1 1 51 51 ILE CB C 13 45.745 . . 1 . . . . 51 ILE CB . 16134 1 10 . 1 1 51 51 ILE N N 15 121.296 . . 1 . . . . 51 ILE N . 16134 1 11 . 1 1 52 52 ASN H H 1 8.354 . . 1 . . . . 52 ASN HN . 16134 1 12 . 1 1 52 52 ASN CA C 13 56.420 . . 1 . . . . 52 ASN CA . 16134 1 13 . 1 1 52 52 ASN CB C 13 38.448 . . 1 . . . . 52 ASN CB . 16134 1 14 . 1 1 52 52 ASN N N 15 117.625 . . 1 . . . . 52 ASN N . 16134 1 15 . 1 1 53 53 ASN H H 1 8.762 . . 1 . . . . 53 ASN HN . 16134 1 16 . 1 1 53 53 ASN CA C 13 56.223 . . 1 . . . . 53 ASN CA . 16134 1 17 . 1 1 53 53 ASN CB C 13 38.686 . . 1 . . . . 53 ASN CB . 16134 1 18 . 1 1 53 53 ASN N N 15 118.869 . . 1 . . . . 53 ASN N . 16134 1 19 . 1 1 54 54 TYR H H 1 8.107 . . 1 . . . . 54 TYR HN . 16134 1 20 . 1 1 54 54 TYR CA C 13 61.671 . . 1 . . . . 54 TYR CA . 16134 1 21 . 1 1 54 54 TYR CB C 13 38.062 . . 1 . . . . 54 TYR CB . 16134 1 22 . 1 1 54 54 TYR N N 15 122.071 . . 1 . . . . 54 TYR N . 16134 1 23 . 1 1 55 55 ALA H H 1 8.138 . . 1 . . . . 55 ALA HN . 16134 1 24 . 1 1 55 55 ALA CA C 13 55.534 . . 1 . . . . 55 ALA CA . 16134 1 25 . 1 1 55 55 ALA CB C 13 18.597 . . 1 . . . . 55 ALA CB . 16134 1 26 . 1 1 55 55 ALA N N 15 121.089 . . 1 . . . . 55 ALA N . 16134 1 27 . 1 1 56 56 GLY H H 1 7.683 . . 1 . . . . 56 GLY HN . 16134 1 28 . 1 1 56 56 GLY CA C 13 47.027 . . 1 . . . . 56 GLY CA . 16134 1 29 . 1 1 56 56 GLY N N 15 101.628 . . 1 . . . . 56 GLY N . 16134 1 30 . 1 1 57 57 GLN H H 1 7.717 . . 1 . . . . 57 GLN HN . 16134 1 31 . 1 1 57 57 GLN CA C 13 58.910 . . 1 . . . . 57 GLN CA . 16134 1 32 . 1 1 57 57 GLN CB C 13 28.675 . . 1 . . . . 57 GLN CB . 16134 1 33 . 1 1 57 57 GLN N N 15 122.674 . . 1 . . . . 57 GLN N . 16134 1 34 . 1 1 58 58 ILE H H 1 7.840 . . 1 . . . . 58 ILE HN . 16134 1 35 . 1 1 58 58 ILE CA C 13 66.502 . . 1 . . . . 58 ILE CA . 16134 1 36 . 1 1 58 58 ILE CB C 13 37.971 . . 1 . . . . 58 ILE CB . 16134 1 37 . 1 1 58 58 ILE N N 15 121.817 . . 1 . . . . 58 ILE N . 16134 1 38 . 1 1 60 60 SER CA C 13 61.651 . . 1 . . . . 60 SER CA . 16134 1 39 . 1 1 60 60 SER CB C 13 63.140 . . 1 . . . . 60 SER CB . 16134 1 40 . 1 1 61 61 ALA H H 1 7.821 . . 1 . . . . 61 ALA HN . 16134 1 41 . 1 1 61 61 ALA CA C 13 55.347 . . 1 . . . . 61 ALA CA . 16134 1 42 . 1 1 61 61 ALA CB C 13 18.774 . . 1 . . . . 61 ALA CB . 16134 1 43 . 1 1 61 61 ALA N N 15 123.603 . . 1 . . . . 61 ALA N . 16134 1 44 . 1 1 62 62 ILE H H 1 7.873 . . 1 . . . . 62 ILE HN . 16134 1 45 . 1 1 62 62 ILE CA C 13 64.973 . . 1 . . . . 62 ILE CA . 16134 1 46 . 1 1 62 62 ILE CB C 13 37.785 . . 1 . . . . 62 ILE CB . 16134 1 47 . 1 1 62 62 ILE N N 15 117.626 . . 1 . . . . 62 ILE N . 16134 1 48 . 1 1 63 63 GLU H H 1 4.244 . . 1 . . . . 63 GLU HN . 16134 1 49 . 1 1 63 63 GLU CA C 13 60.400 . . 1 . . . . 63 GLU CA . 16134 1 50 . 1 1 63 63 GLU CB C 13 30.092 . . 1 . . . . 63 GLU CB . 16134 1 51 . 1 1 63 63 GLU N N 15 120.894 . . 1 . . . . 63 GLU N . 16134 1 52 . 1 1 64 64 SER H H 1 7.802 . . 1 . . . . 64 SER HN . 16134 1 53 . 1 1 64 64 SER CA C 13 61.603 . . 1 . . . . 64 SER CA . 16134 1 54 . 1 1 64 64 SER CB C 13 63.601 . . 1 . . . . 64 SER CB . 16134 1 55 . 1 1 64 64 SER N N 15 110.122 . . 1 . . . . 64 SER N . 16134 1 56 . 1 1 65 65 LYS H H 1 7.184 . . 1 . . . . 65 LYS HN . 16134 1 57 . 1 1 65 65 LYS CA C 13 54.128 . . 1 . . . . 65 LYS CA . 16134 1 58 . 1 1 65 65 LYS CB C 13 33.382 . . 1 . . . . 65 LYS CB . 16134 1 59 . 1 1 65 65 LYS N N 15 116.503 . . 1 . . . . 65 LYS N . 16134 1 60 . 1 1 66 66 PHE H H 1 8.326 . . 1 . . . . 66 PHE HN . 16134 1 61 . 1 1 66 66 PHE CA C 13 52.479 . . 1 . . . . 66 PHE CA . 16134 1 62 . 1 1 66 66 PHE CB C 13 36.823 . . 1 . . . . 66 PHE CB . 16134 1 63 . 1 1 66 66 PHE N N 15 123.875 . . 1 . . . . 66 PHE N . 16134 1 64 . 1 1 67 67 TYR H H 1 7.472 . . 1 . . . . 67 TYR HN . 16134 1 65 . 1 1 67 67 TYR CA C 13 59.987 . . 1 . . . . 67 TYR CA . 16134 1 66 . 1 1 67 67 TYR CB C 13 38.741 . . 1 . . . . 67 TYR CB . 16134 1 67 . 1 1 67 67 TYR N N 15 118.973 . . 1 . . . . 67 TYR N . 16134 1 68 . 1 1 68 68 ASP H H 1 8.297 . . 1 . . . . 68 ASP HN . 16134 1 69 . 1 1 68 68 ASP CA C 13 53.426 . . 1 . . . . 68 ASP CA . 16134 1 70 . 1 1 68 68 ASP CB C 13 41.547 . . 1 . . . . 68 ASP CB . 16134 1 71 . 1 1 68 68 ASP N N 15 117.239 . . 1 . . . . 68 ASP N . 16134 1 72 . 1 1 71 71 SER CA C 13 60.503 . . 1 . . . . 71 SER CA . 16134 1 73 . 1 1 71 71 SER CB C 13 62.373 . . 1 . . . . 71 SER CB . 16134 1 74 . 1 1 72 72 TYR H H 1 7.519 . . 1 . . . . 72 TYR HN . 16134 1 75 . 1 1 72 72 TYR CA C 13 55.773 . . 1 . . . . 72 TYR CA . 16134 1 76 . 1 1 72 72 TYR CB C 13 40.521 . . 1 . . . . 72 TYR CB . 16134 1 77 . 1 1 72 72 TYR N N 15 118.390 . . 1 . . . . 72 TYR N . 16134 1 78 . 1 1 73 73 ALA H H 1 6.829 . . 1 . . . . 73 ALA HN . 16134 1 79 . 1 1 73 73 ALA CA C 13 54.149 . . 1 . . . . 73 ALA CA . 16134 1 80 . 1 1 73 73 ALA CB C 13 18.443 . . 1 . . . . 73 ALA CB . 16134 1 81 . 1 1 73 73 ALA N N 15 121.414 . . 1 . . . . 73 ALA N . 16134 1 82 . 1 1 74 74 GLY H H 1 9.014 . . 1 . . . . 74 GLY HN . 16134 1 83 . 1 1 74 74 GLY CA C 13 45.791 . . 1 . . . . 74 GLY CA . 16134 1 84 . 1 1 74 74 GLY N N 15 112.627 . . 1 . . . . 74 GLY N . 16134 1 85 . 1 1 75 75 LYS H H 1 8.406 . . 1 . . . . 75 LYS HN . 16134 1 86 . 1 1 75 75 LYS CA C 13 54.533 . . 1 . . . . 75 LYS CA . 16134 1 87 . 1 1 75 75 LYS CB C 13 34.271 . . 1 . . . . 75 LYS CB . 16134 1 88 . 1 1 75 75 LYS N N 15 120.310 . . 1 . . . . 75 LYS N . 16134 1 89 . 1 1 76 76 THR H H 1 8.539 . . 1 . . . . 76 THR HN . 16134 1 90 . 1 1 76 76 THR CA C 13 60.169 . . 1 . . . . 76 THR CA . 16134 1 91 . 1 1 76 76 THR CB C 13 72.799 . . 1 . . . . 76 THR CB . 16134 1 92 . 1 1 76 76 THR N N 15 108.496 . . 1 . . . . 76 THR N . 16134 1 93 . 1 1 77 77 CYS H H 1 8.461 . . 1 . . . . 77 CYS HN . 16134 1 94 . 1 1 77 77 CYS CA C 13 58.047 . . 1 . . . . 77 CYS CA . 16134 1 95 . 1 1 77 77 CYS CB C 13 49.853 . . 1 . . . . 77 CYS CB . 16134 1 96 . 1 1 77 77 CYS N N 15 117.607 . . 1 . . . . 77 CYS N . 16134 1 97 . 1 1 78 78 THR H H 1 8.795 . . 1 . . . . 78 THR HN . 16134 1 98 . 1 1 78 78 THR CA C 13 62.947 . . 1 . . . . 78 THR CA . 16134 1 99 . 1 1 78 78 THR CB C 13 72.351 . . 1 . . . . 78 THR CB . 16134 1 100 . 1 1 78 78 THR N N 15 128.209 . . 1 . . . . 78 THR N . 16134 1 101 . 1 1 79 79 LEU H H 1 9.652 . . 1 . . . . 79 LEU HN . 16134 1 102 . 1 1 79 79 LEU CA C 13 52.824 . . 1 . . . . 79 LEU CA . 16134 1 103 . 1 1 79 79 LEU CB C 13 45.260 . . 1 . . . . 79 LEU CB . 16134 1 104 . 1 1 79 79 LEU N N 15 125.755 . . 1 . . . . 79 LEU N . 16134 1 105 . 1 1 80 80 ARG H H 1 9.208 . . 1 . . . . 80 ARG HN . 16134 1 106 . 1 1 80 80 ARG CA C 13 54.330 . . 1 . . . . 80 ARG CA . 16134 1 107 . 1 1 80 80 ARG CB C 13 31.847 . . 1 . . . . 80 ARG CB . 16134 1 108 . 1 1 80 80 ARG N N 15 122.904 . . 1 . . . . 80 ARG N . 16134 1 109 . 1 1 81 81 ILE H H 1 8.426 . . 1 . . . . 81 ILE HN . 16134 1 110 . 1 1 81 81 ILE CA C 13 60.476 . . 1 . . . . 81 ILE CA . 16134 1 111 . 1 1 81 81 ILE CB C 13 40.600 . . 1 . . . . 81 ILE CB . 16134 1 112 . 1 1 81 81 ILE N N 15 122.254 . . 1 . . . . 81 ILE N . 16134 1 113 . 1 1 82 82 LYS H H 1 7.921 . . 1 . . . . 82 LYS HN . 16134 1 114 . 1 1 82 82 LYS CA C 13 55.709 . . 1 . . . . 82 LYS CA . 16134 1 115 . 1 1 82 82 LYS CB C 13 35.180 . . 1 . . . . 82 LYS CB . 16134 1 116 . 1 1 82 82 LYS N N 15 120.339 . . 1 . . . . 82 LYS N . 16134 1 117 . 1 1 83 83 LEU H H 1 8.997 . . 1 . . . . 83 LEU HN . 16134 1 118 . 1 1 83 83 LEU CA C 13 53.659 . . 1 . . . . 83 LEU CA . 16134 1 119 . 1 1 83 83 LEU CB C 13 46.709 . . 1 . . . . 83 LEU CB . 16134 1 120 . 1 1 83 83 LEU N N 15 127.051 . . 1 . . . . 83 LEU N . 16134 1 121 . 1 1 84 84 ALA H H 1 9.503 . . 1 . . . . 84 ALA HN . 16134 1 122 . 1 1 84 84 ALA CA C 13 50.771 . . 1 . . . . 84 ALA CA . 16134 1 123 . 1 1 84 84 ALA CB C 13 19.584 . . 1 . . . . 84 ALA CB . 16134 1 124 . 1 1 84 84 ALA N N 15 129.613 . . 1 . . . . 84 ALA N . 16134 1 125 . 1 1 85 85 PRO CA C 13 64.685 . . 1 . . . . 85 PRO CA . 16134 1 126 . 1 1 85 85 PRO CB C 13 31.463 . . 1 . . . . 85 PRO CB . 16134 1 127 . 1 1 86 86 ASP H H 1 7.581 . . 1 . . . . 86 ASP HN . 16134 1 128 . 1 1 86 86 ASP CA C 13 52.867 . . 1 . . . . 86 ASP CA . 16134 1 129 . 1 1 86 86 ASP CB C 13 40.245 . . 1 . . . . 86 ASP CB . 16134 1 130 . 1 1 86 86 ASP N N 15 111.988 . . 1 . . . . 86 ASP N . 16134 1 131 . 1 1 87 87 GLY H H 1 8.585 . . 1 . . . . 87 GLY HN . 16134 1 132 . 1 1 87 87 GLY CA C 13 45.094 . . 1 . . . . 87 GLY CA . 16134 1 133 . 1 1 87 87 GLY N N 15 108.481 . . 1 . . . . 87 GLY N . 16134 1 134 . 1 1 88 88 MET H H 1 7.620 . . 1 . . . . 88 MET HN . 16134 1 135 . 1 1 88 88 MET CA C 13 56.443 . . 1 . . . . 88 MET CA . 16134 1 136 . 1 1 88 88 MET CB C 13 33.033 . . 1 . . . . 88 MET CB . 16134 1 137 . 1 1 88 88 MET N N 15 117.635 . . 1 . . . . 88 MET N . 16134 1 138 . 1 1 89 89 LEU H H 1 8.720 . . 1 . . . . 89 LEU HN . 16134 1 139 . 1 1 89 89 LEU CA C 13 55.004 . . 1 . . . . 89 LEU CA . 16134 1 140 . 1 1 89 89 LEU CB C 13 41.799 . . 1 . . . . 89 LEU CB . 16134 1 141 . 1 1 89 89 LEU N N 15 124.796 . . 1 . . . . 89 LEU N . 16134 1 142 . 1 1 90 90 LEU H H 1 9.106 . . 1 . . . . 90 LEU HN . 16134 1 143 . 1 1 90 90 LEU CA C 13 56.138 . . 1 . . . . 90 LEU CA . 16134 1 144 . 1 1 90 90 LEU CB C 13 43.021 . . 1 . . . . 90 LEU CB . 16134 1 145 . 1 1 90 90 LEU N N 15 128.118 . . 1 . . . . 90 LEU N . 16134 1 146 . 1 1 91 91 ASP H H 1 7.915 . . 1 . . . . 91 ASP HN . 16134 1 147 . 1 1 91 91 ASP CA C 13 53.511 . . 1 . . . . 91 ASP CA . 16134 1 148 . 1 1 91 91 ASP CB C 13 44.656 . . 1 . . . . 91 ASP CB . 16134 1 149 . 1 1 91 91 ASP N N 15 114.490 . . 1 . . . . 91 ASP N . 16134 1 150 . 1 1 92 92 ILE H H 1 8.216 . . 1 . . . . 92 ILE HN . 16134 1 151 . 1 1 92 92 ILE CA C 13 60.923 . . 1 . . . . 92 ILE CA . 16134 1 152 . 1 1 92 92 ILE CB C 13 40.533 . . 1 . . . . 92 ILE CB . 16134 1 153 . 1 1 92 92 ILE N N 15 118.921 . . 1 . . . . 92 ILE N . 16134 1 154 . 1 1 93 93 LYS H H 1 8.566 . . 1 . . . . 93 LYS HN . 16134 1 155 . 1 1 93 93 LYS CA C 13 52.709 . . 1 . . . . 93 LYS CA . 16134 1 156 . 1 1 93 93 LYS CB C 13 36.047 . . 1 . . . . 93 LYS CB . 16134 1 157 . 1 1 93 93 LYS N N 15 125.167 . . 1 . . . . 93 LYS N . 16134 1 158 . 1 1 94 94 PRO CB C 13 31.743 . . 1 . . . . 94 PRO CB . 16134 1 159 . 1 1 94 94 PRO N N 15 126.470 . . 1 . . . . 94 PRO N . 16134 1 160 . 1 1 95 95 GLU H H 1 9.270 . . 1 . . . . 95 GLU HN . 16134 1 161 . 1 1 95 95 GLU CA C 13 56.364 . . 1 . . . . 95 GLU CA . 16134 1 162 . 1 1 95 95 GLU CB C 13 31.425 . . 1 . . . . 95 GLU CB . 16134 1 163 . 1 1 95 95 GLU N N 15 124.846 . . 1 . . . . 95 GLU N . 16134 1 164 . 1 1 96 96 GLY H H 1 7.616 . . 1 . . . . 96 GLY HN . 16134 1 165 . 1 1 96 96 GLY CA C 13 45.326 . . 1 . . . . 96 GLY CA . 16134 1 166 . 1 1 96 96 GLY N N 15 106.770 . . 1 . . . . 96 GLY N . 16134 1 167 . 1 1 97 97 GLY H H 1 8.223 . . 1 . . . . 97 GLY HN . 16134 1 168 . 1 1 97 97 GLY CA C 13 44.666 . . 1 . . . . 97 GLY CA . 16134 1 169 . 1 1 97 97 GLY N N 15 106.502 . . 1 . . . . 97 GLY N . 16134 1 170 . 1 1 98 98 ASP H H 1 8.795 . . 1 . . . . 98 ASP HN . 16134 1 171 . 1 1 98 98 ASP CA C 13 52.713 . . 1 . . . . 98 ASP CA . 16134 1 172 . 1 1 98 98 ASP CB C 13 44.198 . . 1 . . . . 98 ASP CB . 16134 1 173 . 1 1 98 98 ASP N N 15 122.302 . . 1 . . . . 98 ASP N . 16134 1 174 . 1 1 99 99 PRO CA C 13 66.060 . . 1 . . . . 99 PRO CA . 16134 1 175 . 1 1 99 99 PRO CB C 13 32.443 . . 1 . . . . 99 PRO CB . 16134 1 176 . 1 1 100 100 ALA H H 1 7.993 . . 1 . . . . 100 ALA HN . 16134 1 177 . 1 1 100 100 ALA CA C 13 55.390 . . 1 . . . . 100 ALA CA . 16134 1 178 . 1 1 100 100 ALA CB C 13 18.638 . . 1 . . . . 100 ALA CB . 16134 1 179 . 1 1 100 100 ALA N N 15 120.541 . . 1 . . . . 100 ALA N . 16134 1 180 . 1 1 101 101 LEU H H 1 8.538 . . 1 . . . . 101 LEU HN . 16134 1 181 . 1 1 101 101 LEU CA C 13 57.479 . . 1 . . . . 101 LEU CA . 16134 1 182 . 1 1 101 101 LEU CB C 13 29.379 . . 1 . . . . 101 LEU CB . 16134 1 183 . 1 1 101 101 LEU N N 15 121.437 . . 1 . . . . 101 LEU N . 16134 1 184 . 1 1 102 102 CYS H H 1 9.028 . . 1 . . . . 102 CYS HN . 16134 1 185 . 1 1 102 102 CYS CA C 13 56.098 . . 1 . . . . 102 CYS CA . 16134 1 186 . 1 1 102 102 CYS CB C 13 36.979 . . 1 . . . . 102 CYS CB . 16134 1 187 . 1 1 102 102 CYS N N 15 114.397 . . 1 . . . . 102 CYS N . 16134 1 188 . 1 1 103 103 GLN H H 1 8.173 . . 1 . . . . 103 GLN HN . 16134 1 189 . 1 1 103 103 GLN CA C 13 59.077 . . 1 . . . . 103 GLN CA . 16134 1 190 . 1 1 103 103 GLN CB C 13 28.236 . . 1 . . . . 103 GLN CB . 16134 1 191 . 1 1 103 103 GLN N N 15 118.590 . . 1 . . . . 103 GLN N . 16134 1 192 . 1 1 104 104 ALA H H 1 7.625 . . 1 . . . . 104 ALA HN . 16134 1 193 . 1 1 104 104 ALA CA C 13 54.788 . . 1 . . . . 104 ALA CA . 16134 1 194 . 1 1 104 104 ALA CB C 13 18.574 . . 1 . . . . 104 ALA CB . 16134 1 195 . 1 1 104 104 ALA N N 15 123.859 . . 1 . . . . 104 ALA N . 16134 1 196 . 1 1 105 105 ALA H H 1 8.372 . . 1 . . . . 105 ALA HN . 16134 1 197 . 1 1 105 105 ALA CA C 13 54.152 . . 1 . . . . 105 ALA CA . 16134 1 198 . 1 1 105 105 ALA CB C 13 16.418 . . 1 . . . . 105 ALA CB . 16134 1 199 . 1 1 105 105 ALA N N 15 121.426 . . 1 . . . . 105 ALA N . 16134 1 200 . 1 1 106 106 LEU H H 1 3.012 . . 1 . . . . 106 LEU HN . 16134 1 201 . 1 1 106 106 LEU CA C 13 58.871 . . 1 . . . . 106 LEU CA . 16134 1 202 . 1 1 106 106 LEU CB C 13 42.731 . . 1 . . . . 106 LEU CB . 16134 1 203 . 1 1 106 106 LEU N N 15 119.280 . . 1 . . . . 106 LEU N . 16134 1 204 . 1 1 107 107 ALA H H 1 7.523 . . 1 . . . . 107 ALA HN . 16134 1 205 . 1 1 107 107 ALA CA C 13 54.891 . . 1 . . . . 107 ALA CA . 16134 1 206 . 1 1 107 107 ALA CB C 13 17.941 . . 1 . . . . 107 ALA CB . 16134 1 207 . 1 1 107 107 ALA N N 15 119.002 . . 1 . . . . 107 ALA N . 16134 1 208 . 1 1 108 108 ALA H H 1 7.076 . . 1 . . . . 108 ALA HN . 16134 1 209 . 1 1 108 108 ALA CA C 13 54.556 . . 1 . . . . 108 ALA CA . 16134 1 210 . 1 1 108 108 ALA CB C 13 18.818 . . 1 . . . . 108 ALA CB . 16134 1 211 . 1 1 108 108 ALA N N 15 118.052 . . 1 . . . . 108 ALA N . 16134 1 212 . 1 1 109 109 ALA H H 1 8.371 . . 1 . . . . 109 ALA HN . 16134 1 213 . 1 1 109 109 ALA CA C 13 55.338 . . 1 . . . . 109 ALA CA . 16134 1 214 . 1 1 109 109 ALA CB C 13 17.896 . . 1 . . . . 109 ALA CB . 16134 1 215 . 1 1 109 109 ALA N N 15 118.346 . . 1 . . . . 109 ALA N . 16134 1 216 . 1 1 110 110 LYS H H 1 11.420 . . 1 . . . . 110 LYS HN . 16134 1 217 . 1 1 110 110 LYS CA C 13 59.023 . . 1 . . . . 110 LYS CA . 16134 1 218 . 1 1 110 110 LYS CB C 13 32.777 . . 1 . . . . 110 LYS CB . 16134 1 219 . 1 1 110 110 LYS N N 15 113.397 . . 1 . . . . 110 LYS N . 16134 1 220 . 1 1 111 111 LEU H H 1 7.370 . . 1 . . . . 111 LEU HN . 16134 1 221 . 1 1 111 111 LEU CA C 13 54.686 . . 1 . . . . 111 LEU CA . 16134 1 222 . 1 1 111 111 LEU CB C 13 43.488 . . 1 . . . . 111 LEU CB . 16134 1 223 . 1 1 111 111 LEU N N 15 117.383 . . 1 . . . . 111 LEU N . 16134 1 224 . 1 1 112 112 ALA H H 1 7.393 . . 1 . . . . 112 ALA HN . 16134 1 225 . 1 1 112 112 ALA CA C 13 52.395 . . 1 . . . . 112 ALA CA . 16134 1 226 . 1 1 112 112 ALA CB C 13 20.582 . . 1 . . . . 112 ALA CB . 16134 1 227 . 1 1 112 112 ALA N N 15 121.801 . . 1 . . . . 112 ALA N . 16134 1 228 . 1 1 113 113 LYS H H 1 8.627 . . 1 . . . . 113 LYS HN . 16134 1 229 . 1 1 113 113 LYS CA C 13 54.343 . . 1 . . . . 113 LYS CA . 16134 1 230 . 1 1 113 113 LYS CB C 13 31.711 . . 1 . . . . 113 LYS CB . 16134 1 231 . 1 1 113 113 LYS N N 15 123.332 . . 1 . . . . 113 LYS N . 16134 1 232 . 1 1 114 114 ILE H H 1 8.581 . . 1 . . . . 114 ILE HN . 16134 1 233 . 1 1 114 114 ILE CA C 13 58.584 . . 1 . . . . 114 ILE CA . 16134 1 234 . 1 1 114 114 ILE CB C 13 37.667 . . 1 . . . . 114 ILE CB . 16134 1 235 . 1 1 114 114 ILE N N 15 129.050 . . 1 . . . . 114 ILE N . 16134 1 236 . 1 1 120 120 GLN CA C 13 58.880 . . 1 . . . . 120 GLN CA . 16134 1 237 . 1 1 120 120 GLN CB C 13 28.003 . . 1 . . . . 120 GLN CB . 16134 1 238 . 1 1 121 121 ALA H H 1 8.446 . . 1 . . . . 121 ALA HN . 16134 1 239 . 1 1 121 121 ALA CA C 13 55.208 . . 1 . . . . 121 ALA CA . 16134 1 240 . 1 1 121 121 ALA CB C 13 18.498 . . 1 . . . . 121 ALA CB . 16134 1 241 . 1 1 121 121 ALA N N 15 120.425 . . 1 . . . . 121 ALA N . 16134 1 242 . 1 1 122 122 VAL H H 1 7.526 . . 1 . . . . 122 VAL HN . 16134 1 243 . 1 1 122 122 VAL CA C 13 66.474 . . 1 . . . . 122 VAL CA . 16134 1 244 . 1 1 122 122 VAL CB C 13 31.964 . . 1 . . . . 122 VAL CB . 16134 1 245 . 1 1 122 122 VAL N N 15 116.331 . . 1 . . . . 122 VAL N . 16134 1 246 . 1 1 123 123 TYR H H 1 8.177 . . 1 . . . . 123 TYR HN . 16134 1 247 . 1 1 123 123 TYR CA C 13 61.621 . . 1 . . . . 123 TYR CA . 16134 1 248 . 1 1 123 123 TYR CB C 13 37.681 . . 1 . . . . 123 TYR CB . 16134 1 249 . 1 1 123 123 TYR N N 15 120.704 . . 1 . . . . 123 TYR N . 16134 1 250 . 1 1 124 124 GLU H H 1 8.220 . . 1 . . . . 124 GLU HN . 16134 1 251 . 1 1 124 124 GLU CA C 13 59.306 . . 1 . . . . 124 GLU CA . 16134 1 252 . 1 1 124 124 GLU CB C 13 29.617 . . 1 . . . . 124 GLU CB . 16134 1 253 . 1 1 124 124 GLU N N 15 114.428 . . 1 . . . . 124 GLU N . 16134 1 254 . 1 1 125 125 VAL H H 1 7.212 . . 1 . . . . 125 VAL HN . 16134 1 255 . 1 1 125 125 VAL CA C 13 65.609 . . 1 . . . . 125 VAL CA . 16134 1 256 . 1 1 125 125 VAL CB C 13 32.126 . . 1 . . . . 125 VAL CB . 16134 1 257 . 1 1 125 125 VAL N N 15 116.874 . . 1 . . . . 125 VAL N . 16134 1 258 . 1 1 126 126 PHE H H 1 7.273 . . 1 . . . . 126 PHE HN . 16134 1 259 . 1 1 126 126 PHE CA C 13 60.084 . . 1 . . . . 126 PHE CA . 16134 1 260 . 1 1 126 126 PHE CB C 13 41.098 . . 1 . . . . 126 PHE CB . 16134 1 261 . 1 1 126 126 PHE N N 15 115.410 . . 1 . . . . 126 PHE N . 16134 1 262 . 1 1 127 127 LYS H H 1 7.604 . . 1 . . . . 127 LYS HN . 16134 1 263 . 1 1 127 127 LYS CA C 13 59.863 . . 1 . . . . 127 LYS CA . 16134 1 264 . 1 1 127 127 LYS CB C 13 36.213 . . 1 . . . . 127 LYS CB . 16134 1 265 . 1 1 127 127 LYS N N 15 117.690 . . 1 . . . . 127 LYS N . 16134 1 266 . 1 1 128 128 ASN H H 1 8.059 . . 1 . . . . 128 ASN HN . 16134 1 267 . 1 1 128 128 ASN CA C 13 51.628 . . 1 . . . . 128 ASN CA . 16134 1 268 . 1 1 128 128 ASN CB C 13 40.378 . . 1 . . . . 128 ASN CB . 16134 1 269 . 1 1 128 128 ASN N N 15 118.491 . . 1 . . . . 128 ASN N . 16134 1 270 . 1 1 129 129 ALA H H 1 7.274 . . 1 . . . . 129 ALA HN . 16134 1 271 . 1 1 129 129 ALA CA C 13 51.728 . . 1 . . . . 129 ALA CA . 16134 1 272 . 1 1 129 129 ALA CB C 13 19.409 . . 1 . . . . 129 ALA CB . 16134 1 273 . 1 1 129 129 ALA N N 15 123.769 . . 1 . . . . 129 ALA N . 16134 1 274 . 1 1 130 130 PRO CA C 13 61.603 . . 1 . . . . 130 PRO CA . 16134 1 275 . 1 1 130 130 PRO CB C 13 31.391 . . 1 . . . . 130 PRO CB . 16134 1 276 . 1 1 131 131 LEU H H 1 9.212 . . 1 . . . . 131 LEU HN . 16134 1 277 . 1 1 131 131 LEU CA C 13 52.679 . . 1 . . . . 131 LEU CA . 16134 1 278 . 1 1 131 131 LEU CB C 13 43.091 . . 1 . . . . 131 LEU CB . 16134 1 279 . 1 1 131 131 LEU N N 15 121.547 . . 1 . . . . 131 LEU N . 16134 1 280 . 1 1 132 132 ASP H H 1 9.207 . . 1 . . . . 132 ASP HN . 16134 1 281 . 1 1 132 132 ASP CA C 13 53.890 . . 1 . . . . 132 ASP CA . 16134 1 282 . 1 1 132 132 ASP CB C 13 42.244 . . 1 . . . . 132 ASP CB . 16134 1 283 . 1 1 132 132 ASP N N 15 123.915 . . 1 . . . . 132 ASP N . 16134 1 284 . 1 1 133 133 PHE H H 1 9.996 . . 1 . . . . 133 PHE HN . 16134 1 285 . 1 1 133 133 PHE CA C 13 58.897 . . 1 . . . . 133 PHE CA . 16134 1 286 . 1 1 133 133 PHE CB C 13 40.925 . . 1 . . . . 133 PHE CB . 16134 1 287 . 1 1 133 133 PHE N N 15 123.077 . . 1 . . . . 133 PHE N . 16134 1 288 . 1 1 134 134 LYS H H 1 10.037 . . 1 . . . . 134 LYS HN . 16134 1 289 . 1 1 134 134 LYS N N 15 125.528 . . 1 . . . . 134 LYS N . 16134 1 stop_ save_