################################### # 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 53733 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name sample_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 . _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' . . . 53733 1 2 '2D 1H-13C HSQC' . . . 53733 1 3 '3D HNCO' . . . 53733 1 4 '3D HNCA' . . . 53733 1 5 '3D HN(CO)CA' . . . 53733 1 6 '3D 15N-separated NOESY' . . . 53733 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53733 1 2 $software_2 . . 53733 1 3 $software_3 . . 53733 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 . 2 . 2 2 2 ASN C C 13 174.4452 0.0000 . 1 . . . . . 153 ASN C . 53733 1 2 . 2 . 2 2 2 ASN CA C 13 53.1846 0.0000 . 1 . . . . . 153 ASN CA . 53733 1 3 . 2 . 2 3 3 ALA H H 1 8.3862 0.0000 . 1 . . . . . 154 ALA H . 53733 1 4 . 2 . 2 3 3 ALA CA C 13 50.7715 0.0000 . 1 . . . . . 154 ALA CA . 53733 1 5 . 2 . 2 3 3 ALA N N 15 125.9832 0.0000 . 1 . . . . . 154 ALA N . 53733 1 6 . 2 . 2 4 4 PRO C C 13 176.7253 0.0000 . 1 . . . . . 155 PRO C . 53733 1 7 . 2 . 2 4 4 PRO CA C 13 62.7861 0.0000 . 1 . . . . . 155 PRO CA . 53733 1 8 . 2 . 2 5 5 ILE H H 1 8.3876 0.0000 . 1 . . . . . 156 ILE H . 53733 1 9 . 2 . 2 5 5 ILE C C 13 175.2709 0.0000 . 1 . . . . . 156 ILE C . 53733 1 10 . 2 . 2 5 5 ILE CA C 13 59.5890 0.0000 . 1 . . . . . 156 ILE CA . 53733 1 11 . 2 . 2 5 5 ILE N N 15 118.5143 0.0000 . 1 . . . . . 156 ILE N . 53733 1 12 . 2 . 2 6 6 VAL H H 1 8.8190 0.0000 . 1 . . . . . 157 VAL H . 53733 1 13 . 2 . 2 6 6 VAL C C 13 174.2606 0.0000 . 1 . . . . . 157 VAL C . 53733 1 14 . 2 . 2 6 6 VAL CA C 13 62.2530 0.0000 . 1 . . . . . 157 VAL CA . 53733 1 15 . 2 . 2 6 6 VAL N N 15 120.7656 0.0000 . 1 . . . . . 157 VAL N . 53733 1 16 . 2 . 2 7 7 ARG H H 1 8.2227 0.0000 . 1 . . . . . 158 ARG H . 53733 1 17 . 2 . 2 7 7 ARG C C 13 173.8302 0.0000 . 1 . . . . . 158 ARG C . 53733 1 18 . 2 . 2 7 7 ARG CA C 13 56.3827 0.0000 . 1 . . . . . 158 ARG CA . 53733 1 19 . 2 . 2 7 7 ARG N N 15 127.7683 0.0000 . 1 . . . . . 158 ARG N . 53733 1 20 . 2 . 2 8 8 VAL H H 1 8.6720 0.0000 . 1 . . . . . 159 VAL H . 53733 1 21 . 2 . 2 8 8 VAL C C 13 174.5857 0.0000 . 1 . . . . . 159 VAL C . 53733 1 22 . 2 . 2 8 8 VAL CA C 13 60.7026 0.0000 . 1 . . . . . 159 VAL CA . 53733 1 23 . 2 . 2 8 8 VAL N N 15 123.9196 0.0000 . 1 . . . . . 159 VAL N . 53733 1 24 . 2 . 2 9 9 PHE H H 1 9.0600 0.0000 . 1 . . . . . 160 PHE H . 53733 1 25 . 2 . 2 9 9 PHE C C 13 174.4430 0.0000 . 1 . . . . . 160 PHE C . 53733 1 26 . 2 . 2 9 9 PHE CA C 13 58.9197 0.0000 . 1 . . . . . 160 PHE CA . 53733 1 27 . 2 . 2 9 9 PHE N N 15 127.9129 0.0000 . 1 . . . . . 160 PHE N . 53733 1 28 . 2 . 2 10 10 LEU H H 1 8.5733 0.0000 . 1 . . . . . 161 LEU H . 53733 1 29 . 2 . 2 10 10 LEU CA C 13 52.1751 0.0000 . 1 . . . . . 161 LEU CA . 53733 1 30 . 2 . 2 10 10 LEU N N 15 123.0979 0.0000 . 1 . . . . . 161 LEU N . 53733 1 31 . 2 . 2 12 12 ASN C C 13 174.1351 0.0000 . 1 . . . . . 163 ASN C . 53733 1 32 . 2 . 2 12 12 ASN CA C 13 53.6011 0.0000 . 1 . . . . . 163 ASN CA . 53733 1 33 . 2 . 2 13 13 LYS H H 1 8.7734 0.0000 . 1 . . . . . 164 LYS H . 53733 1 34 . 2 . 2 13 13 LYS C C 13 175.8127 0.0000 . 1 . . . . . 164 LYS C . 53733 1 35 . 2 . 2 13 13 LYS CA C 13 57.2577 0.0000 . 1 . . . . . 164 LYS CA . 53733 1 36 . 2 . 2 13 13 LYS N N 15 110.5387 0.0000 . 1 . . . . . 164 LYS N . 53733 1 37 . 2 . 2 14 14 GLN H H 1 6.8299 0.0000 . 1 . . . . . 165 GLN H . 53733 1 38 . 2 . 2 14 14 GLN C C 13 175.1449 0.0000 . 1 . . . . . 165 GLN C . 53733 1 39 . 2 . 2 14 14 GLN CA C 13 54.6270 0.0000 . 1 . . . . . 165 GLN CA . 53733 1 40 . 2 . 2 14 14 GLN N N 15 116.7412 0.0000 . 1 . . . . . 165 GLN N . 53733 1 41 . 2 . 2 15 15 ARG H H 1 9.1340 0.0000 . 1 . . . . . 166 ARG H . 53733 1 42 . 2 . 2 15 15 ARG C C 13 172.7918 0.0000 . 1 . . . . . 166 ARG C . 53733 1 43 . 2 . 2 15 15 ARG CA C 13 53.8724 0.0000 . 1 . . . . . 166 ARG CA . 53733 1 44 . 2 . 2 15 15 ARG N N 15 117.2304 0.0000 . 1 . . . . . 166 ARG N . 53733 1 45 . 2 . 2 16 16 THR H H 1 8.6672 0.0000 . 1 . . . . . 167 THR H . 53733 1 46 . 2 . 2 16 16 THR C C 13 170.7826 0.0000 . 1 . . . . . 167 THR C . 53733 1 47 . 2 . 2 16 16 THR CA C 13 60.3146 0.0000 . 1 . . . . . 167 THR CA . 53733 1 48 . 2 . 2 16 16 THR N N 15 114.7952 0.0000 . 1 . . . . . 167 THR N . 53733 1 49 . 2 . 2 17 17 VAL H H 1 7.7570 0.0000 . 1 . . . . . 168 VAL H . 53733 1 50 . 2 . 2 17 17 VAL C C 13 174.6530 0.0000 . 1 . . . . . 168 VAL C . 53733 1 51 . 2 . 2 17 17 VAL CA C 13 61.2380 0.0000 . 1 . . . . . 168 VAL CA . 53733 1 52 . 2 . 2 17 17 VAL N N 15 126.5474 0.0000 . 1 . . . . . 168 VAL N . 53733 1 53 . 2 . 2 18 18 VAL H H 1 8.5218 0.0000 . 1 . . . . . 169 VAL H . 53733 1 54 . 2 . 2 18 18 VAL CA C 13 56.6888 0.0000 . 1 . . . . . 169 VAL CA . 53733 1 55 . 2 . 2 18 18 VAL N N 15 118.2872 0.0000 . 1 . . . . . 169 VAL N . 53733 1 56 . 2 . 2 19 19 PRO C C 13 176.4713 0.0000 . 1 . . . . . 170 PRO C . 53733 1 57 . 2 . 2 19 19 PRO CA C 13 62.0275 0.0000 . 1 . . . . . 170 PRO CA . 53733 1 58 . 2 . 2 20 20 ALA H H 1 8.2315 0.0000 . 1 . . . . . 171 ALA H . 53733 1 59 . 2 . 2 20 20 ALA C C 13 174.8583 0.0000 . 1 . . . . . 171 ALA C . 53733 1 60 . 2 . 2 20 20 ALA CA C 13 49.9529 0.0000 . 1 . . . . . 171 ALA CA . 53733 1 61 . 2 . 2 20 20 ALA N N 15 128.1207 0.0000 . 1 . . . . . 171 ALA N . 53733 1 62 . 2 . 2 21 21 ARG H H 1 6.7117 0.0000 . 1 . . . . . 172 ARG H . 53733 1 63 . 2 . 2 21 21 ARG C C 13 174.2753 0.0000 . 1 . . . . . 172 ARG C . 53733 1 64 . 2 . 2 21 21 ARG CA C 13 57.5720 0.0000 . 1 . . . . . 172 ARG CA . 53733 1 65 . 2 . 2 21 21 ARG N N 15 122.8128 0.0000 . 1 . . . . . 172 ARG N . 53733 1 66 . 2 . 2 22 22 CYS H H 1 8.3603 0.0000 . 1 . . . . . 173 CYS H . 53733 1 67 . 2 . 2 22 22 CYS C C 13 176.0919 0.0000 . 1 . . . . . 173 CYS C . 53733 1 68 . 2 . 2 22 22 CYS CA C 13 59.6900 0.0000 . 1 . . . . . 173 CYS CA . 53733 1 69 . 2 . 2 22 22 CYS N N 15 121.0640 0.0000 . 1 . . . . . 173 CYS N . 53733 1 70 . 2 . 2 23 23 GLY H H 1 9.6251 0.0000 . 1 . . . . . 174 GLY H . 53733 1 71 . 2 . 2 23 23 GLY C C 13 173.4678 0.0000 . 1 . . . . . 174 GLY C . 53733 1 72 . 2 . 2 23 23 GLY CA C 13 45.2132 0.0000 . 1 . . . . . 174 GLY CA . 53733 1 73 . 2 . 2 23 23 GLY N N 15 115.8745 0.0000 . 1 . . . . . 174 GLY N . 53733 1 74 . 2 . 2 24 24 VAL H H 1 7.3891 0.0000 . 1 . . . . . 175 VAL H . 53733 1 75 . 2 . 2 24 24 VAL C C 13 175.3838 0.0000 . 1 . . . . . 175 VAL C . 53733 1 76 . 2 . 2 24 24 VAL CA C 13 60.7910 0.0000 . 1 . . . . . 175 VAL CA . 53733 1 77 . 2 . 2 24 24 VAL N N 15 122.1780 0.0000 . 1 . . . . . 175 VAL N . 53733 1 78 . 2 . 2 25 25 THR H H 1 8.8360 0.0000 . 1 . . . . . 176 THR H . 53733 1 79 . 2 . 2 25 25 THR C C 13 177.9402 0.0000 . 1 . . . . . 176 THR C . 53733 1 80 . 2 . 2 25 25 THR CA C 13 61.3823 0.0000 . 1 . . . . . 176 THR CA . 53733 1 81 . 2 . 2 25 25 THR N N 15 116.2425 0.0000 . 1 . . . . . 176 THR N . 53733 1 82 . 2 . 2 26 26 VAL H H 1 8.8521 0.0000 . 1 . . . . . 177 VAL H . 53733 1 83 . 2 . 2 26 26 VAL C C 13 177.9714 0.0000 . 1 . . . . . 177 VAL C . 53733 1 84 . 2 . 2 26 26 VAL CA C 13 67.7734 0.0000 . 1 . . . . . 177 VAL CA . 53733 1 85 . 2 . 2 26 26 VAL N N 15 124.1398 0.0000 . 1 . . . . . 177 VAL N . 53733 1 86 . 2 . 2 27 27 ARG H H 1 8.8086 0.0000 . 1 . . . . . 178 ARG H . 53733 1 87 . 2 . 2 27 27 ARG C C 13 177.7060 0.0000 . 1 . . . . . 178 ARG C . 53733 1 88 . 2 . 2 27 27 ARG CA C 13 60.5958 0.0000 . 1 . . . . . 178 ARG CA . 53733 1 89 . 2 . 2 27 27 ARG N N 15 118.8167 0.0000 . 1 . . . . . 178 ARG N . 53733 1 90 . 2 . 2 28 28 ASP H H 1 8.1761 0.0000 . 1 . . . . . 179 ASP H . 53733 1 91 . 2 . 2 28 28 ASP C C 13 179.3583 0.0000 . 1 . . . . . 179 ASP C . 53733 1 92 . 2 . 2 28 28 ASP CA C 13 57.5252 0.0000 . 1 . . . . . 179 ASP CA . 53733 1 93 . 2 . 2 28 28 ASP N N 15 118.5855 0.0000 . 1 . . . . . 179 ASP N . 53733 1 94 . 2 . 2 29 29 SER H H 1 8.5836 0.0000 . 1 . . . . . 180 SER H . 53733 1 95 . 2 . 2 29 29 SER C C 13 175.3964 0.0000 . 1 . . . . . 180 SER C . 53733 1 96 . 2 . 2 29 29 SER CA C 13 61.7674 0.0000 . 1 . . . . . 180 SER CA . 53733 1 97 . 2 . 2 29 29 SER N N 15 116.4867 0.0000 . 1 . . . . . 180 SER N . 53733 1 98 . 2 . 2 30 30 LEU H H 1 7.7159 0.0000 . 1 . . . . . 181 LEU H . 53733 1 99 . 2 . 2 30 30 LEU C C 13 176.6381 0.0000 . 1 . . . . . 181 LEU C . 53733 1 100 . 2 . 2 30 30 LEU CA C 13 54.9502 0.0000 . 1 . . . . . 181 LEU CA . 53733 1 101 . 2 . 2 30 30 LEU N N 15 117.6742 0.0000 . 1 . . . . . 181 LEU N . 53733 1 102 . 2 . 2 31 31 LYS H H 1 7.7450 0.0000 . 1 . . . . . 182 LYS H . 53733 1 103 . 2 . 2 31 31 LYS C C 13 177.5225 0.0000 . 1 . . . . . 182 LYS C . 53733 1 104 . 2 . 2 31 31 LYS CA C 13 61.6646 0.0000 . 1 . . . . . 182 LYS CA . 53733 1 105 . 2 . 2 31 31 LYS N N 15 120.5116 0.0000 . 1 . . . . . 182 LYS N . 53733 1 106 . 2 . 2 32 32 LYS H H 1 8.6378 0.0000 . 1 . . . . . 183 LYS H . 53733 1 107 . 2 . 2 32 32 LYS C C 13 177.4985 0.0000 . 1 . . . . . 183 LYS C . 53733 1 108 . 2 . 2 32 32 LYS CA C 13 60.4342 0.0000 . 1 . . . . . 183 LYS CA . 53733 1 109 . 2 . 2 32 32 LYS N N 15 121.0172 0.0000 . 1 . . . . . 183 LYS N . 53733 1 110 . 2 . 2 33 33 ALA H H 1 8.4532 0.0000 . 1 . . . . . 184 ALA H . 53733 1 111 . 2 . 2 33 33 ALA C C 13 181.3992 0.0000 . 1 . . . . . 184 ALA C . 53733 1 112 . 2 . 2 33 33 ALA CA C 13 54.2947 0.0000 . 1 . . . . . 184 ALA CA . 53733 1 113 . 2 . 2 33 33 ALA N N 15 121.8071 0.0000 . 1 . . . . . 184 ALA N . 53733 1 114 . 2 . 2 34 34 LEU H H 1 8.1848 0.0000 . 1 . . . . . 185 LEU H . 53733 1 115 . 2 . 2 34 34 LEU C C 13 179.0068 0.0000 . 1 . . . . . 185 LEU C . 53733 1 116 . 2 . 2 34 34 LEU CA C 13 58.3130 0.0000 . 1 . . . . . 185 LEU CA . 53733 1 117 . 2 . 2 34 34 LEU N N 15 115.5412 0.0000 . 1 . . . . . 185 LEU N . 53733 1 118 . 2 . 2 35 35 MET H H 1 8.4695 0.0000 . 1 . . . . . 186 MET H . 53733 1 119 . 2 . 2 35 35 MET C C 13 181.1008 0.0000 . 1 . . . . . 186 MET C . 53733 1 120 . 2 . 2 35 35 MET CA C 13 59.5348 0.0000 . 1 . . . . . 186 MET CA . 53733 1 121 . 2 . 2 35 35 MET N N 15 121.6902 0.0000 . 1 . . . . . 186 MET N . 53733 1 122 . 2 . 2 36 36 MET H H 1 8.8574 0.0000 . 1 . . . . . 187 MET H . 53733 1 123 . 2 . 2 36 36 MET C C 13 175.6755 0.0000 . 1 . . . . . 187 MET C . 53733 1 124 . 2 . 2 36 36 MET CA C 13 56.7722 0.0000 . 1 . . . . . 187 MET CA . 53733 1 125 . 2 . 2 36 36 MET N N 15 118.2878 0.0000 . 1 . . . . . 187 MET N . 53733 1 126 . 2 . 2 37 37 ARG H H 1 7.2526 0.0000 . 1 . . . . . 188 ARG H . 53733 1 127 . 2 . 2 37 37 ARG C C 13 176.3841 0.0000 . 1 . . . . . 188 ARG C . 53733 1 128 . 2 . 2 37 37 ARG CA C 13 54.6189 0.0000 . 1 . . . . . 188 ARG CA . 53733 1 129 . 2 . 2 37 37 ARG N N 15 114.6445 0.0000 . 1 . . . . . 188 ARG N . 53733 1 130 . 2 . 2 38 38 GLY H H 1 7.8655 0.0000 . 1 . . . . . 189 GLY H . 53733 1 131 . 2 . 2 38 38 GLY C C 13 173.9227 0.0000 . 1 . . . . . 189 GLY C . 53733 1 132 . 2 . 2 38 38 GLY CA C 13 46.4868 0.0000 . 1 . . . . . 189 GLY CA . 53733 1 133 . 2 . 2 38 38 GLY N N 15 108.0868 0.0000 . 1 . . . . . 189 GLY N . 53733 1 134 . 2 . 2 39 39 LEU H H 1 8.1316 0.0000 . 1 . . . . . 190 LEU H . 53733 1 135 . 2 . 2 39 39 LEU C C 13 175.3134 0.0000 . 1 . . . . . 190 LEU C . 53733 1 136 . 2 . 2 39 39 LEU CA C 13 53.0739 0.0000 . 1 . . . . . 190 LEU CA . 53733 1 137 . 2 . 2 39 39 LEU N N 15 120.9605 0.0000 . 1 . . . . . 190 LEU N . 53733 1 138 . 2 . 2 40 40 ILE H H 1 7.9498 0.0000 . 1 . . . . . 191 ILE H . 53733 1 139 . 2 . 2 40 40 ILE CA C 13 57.9724 0.0000 . 1 . . . . . 191 ILE CA . 53733 1 140 . 2 . 2 40 40 ILE N N 15 117.7428 0.0000 . 1 . . . . . 191 ILE N . 53733 1 141 . 2 . 2 41 41 PRO C C 13 177.0807 0.0000 . 1 . . . . . 192 PRO C . 53733 1 142 . 2 . 2 41 41 PRO CA C 13 66.4128 0.0000 . 1 . . . . . 192 PRO CA . 53733 1 143 . 2 . 2 42 42 GLU H H 1 8.6988 0.0000 . 1 . . . . . 193 GLU H . 53733 1 144 . 2 . 2 42 42 GLU C C 13 177.4419 0.0000 . 1 . . . . . 193 GLU C . 53733 1 145 . 2 . 2 42 42 GLU CA C 13 59.7306 0.0000 . 1 . . . . . 193 GLU CA . 53733 1 146 . 2 . 2 42 42 GLU N N 15 112.4784 0.0000 . 1 . . . . . 193 GLU N . 53733 1 147 . 2 . 2 43 43 CYS H H 1 7.8066 0.0000 . 1 . . . . . 194 CYS H . 53733 1 148 . 2 . 2 43 43 CYS C C 13 173.4307 0.0000 . 1 . . . . . 194 CYS C . 53733 1 149 . 2 . 2 43 43 CYS CA C 13 58.7502 0.0000 . 1 . . . . . 194 CYS CA . 53733 1 150 . 2 . 2 43 43 CYS N N 15 116.0619 0.0000 . 1 . . . . . 194 CYS N . 53733 1 151 . 2 . 2 44 44 CYS H H 1 8.0501 0.0000 . 1 . . . . . 195 CYS H . 53733 1 152 . 2 . 2 44 44 CYS C C 13 172.2261 0.0000 . 1 . . . . . 195 CYS C . 53733 1 153 . 2 . 2 44 44 CYS CA C 13 58.5122 0.0000 . 1 . . . . . 195 CYS CA . 53733 1 154 . 2 . 2 44 44 CYS N N 15 117.3765 0.0000 . 1 . . . . . 195 CYS N . 53733 1 155 . 2 . 2 45 45 ALA H H 1 9.3353 0.0000 . 1 . . . . . 196 ALA H . 53733 1 156 . 2 . 2 45 45 ALA C C 13 174.5300 0.0000 . 1 . . . . . 196 ALA C . 53733 1 157 . 2 . 2 45 45 ALA CA C 13 51.2289 0.0000 . 1 . . . . . 196 ALA CA . 53733 1 158 . 2 . 2 45 45 ALA N N 15 123.7470 0.0000 . 1 . . . . . 196 ALA N . 53733 1 159 . 2 . 2 46 46 VAL H H 1 7.9194 0.0000 . 1 . . . . . 197 VAL H . 53733 1 160 . 2 . 2 46 46 VAL C C 13 173.9833 0.0000 . 1 . . . . . 197 VAL C . 53733 1 161 . 2 . 2 46 46 VAL CA C 13 59.6157 0.0000 . 1 . . . . . 197 VAL CA . 53733 1 162 . 2 . 2 46 46 VAL N N 15 118.8388 0.0000 . 1 . . . . . 197 VAL N . 53733 1 163 . 2 . 2 47 47 TYR H H 1 9.0345 0.0000 . 1 . . . . . 198 TYR H . 53733 1 164 . 2 . 2 47 47 TYR C C 13 174.0859 0.0000 . 1 . . . . . 198 TYR C . 53733 1 165 . 2 . 2 47 47 TYR CA C 13 56.4894 0.0000 . 1 . . . . . 198 TYR CA . 53733 1 166 . 2 . 2 47 47 TYR N N 15 122.7081 0.0000 . 1 . . . . . 198 TYR N . 53733 1 167 . 2 . 2 48 48 ARG H H 1 8.9588 0.0000 . 1 . . . . . 199 ARG H . 53733 1 168 . 2 . 2 48 48 ARG C C 13 174.2485 0.0000 . 1 . . . . . 199 ARG C . 53733 1 169 . 2 . 2 48 48 ARG CA C 13 53.8793 0.0000 . 1 . . . . . 199 ARG CA . 53733 1 170 . 2 . 2 48 48 ARG N N 15 117.9727 0.0000 . 1 . . . . . 199 ARG N . 53733 1 171 . 2 . 2 49 49 ILE H H 1 9.3418 0.0000 . 1 . . . . . 200 ILE H . 53733 1 172 . 2 . 2 49 49 ILE C C 13 176.0136 0.0000 . 1 . . . . . 200 ILE C . 53733 1 173 . 2 . 2 49 49 ILE CA C 13 59.8824 0.0000 . 1 . . . . . 200 ILE CA . 53733 1 174 . 2 . 2 49 49 ILE N N 15 123.5819 0.0000 . 1 . . . . . 200 ILE N . 53733 1 175 . 2 . 2 50 50 GLN H H 1 8.9588 0.0000 . 1 . . . . . 201 GLN H . 53733 1 176 . 2 . 2 50 50 GLN C C 13 175.1471 0.0000 . 1 . . . . . 201 GLN C . 53733 1 177 . 2 . 2 50 50 GLN CA C 13 54.7457 0.0000 . 1 . . . . . 201 GLN CA . 53733 1 178 . 2 . 2 50 50 GLN N N 15 128.3545 0.0000 . 1 . . . . . 201 GLN N . 53733 1 179 . 2 . 2 51 51 ASP H H 1 9.6000 0.0000 . 1 . . . . . 202 ASP H . 53733 1 180 . 2 . 2 51 51 ASP C C 13 175.9518 0.0000 . 1 . . . . . 202 ASP C . 53733 1 181 . 2 . 2 51 51 ASP CA C 13 55.7198 0.0000 . 1 . . . . . 202 ASP CA . 53733 1 182 . 2 . 2 51 51 ASP N N 15 128.7639 0.0000 . 1 . . . . . 202 ASP N . 53733 1 183 . 2 . 2 52 52 GLY H H 1 8.2663 0.0000 . 1 . . . . . 203 GLY H . 53733 1 184 . 2 . 2 52 52 GLY C C 13 173.4286 0.0000 . 1 . . . . . 203 GLY C . 53733 1 185 . 2 . 2 52 52 GLY CA C 13 45.4528 0.0000 . 1 . . . . . 203 GLY CA . 53733 1 186 . 2 . 2 52 52 GLY N N 15 102.7617 0.0000 . 1 . . . . . 203 GLY N . 53733 1 187 . 2 . 2 53 53 GLU H H 1 7.8257 0.0000 . 1 . . . . . 204 GLU H . 53733 1 188 . 2 . 2 53 53 GLU C C 13 174.6971 0.0000 . 1 . . . . . 204 GLU C . 53733 1 189 . 2 . 2 53 53 GLU CA C 13 54.5090 0.0000 . 1 . . . . . 204 GLU CA . 53733 1 190 . 2 . 2 53 53 GLU N N 15 120.8504 0.0000 . 1 . . . . . 204 GLU N . 53733 1 191 . 2 . 2 54 54 LYS H H 1 8.5543 0.0000 . 1 . . . . . 205 LYS H . 53733 1 192 . 2 . 2 54 54 LYS C C 13 176.0479 0.0000 . 1 . . . . . 205 LYS C . 53733 1 193 . 2 . 2 54 54 LYS CA C 13 56.6298 0.0000 . 1 . . . . . 205 LYS CA . 53733 1 194 . 2 . 2 54 54 LYS N N 15 123.7353 0.0000 . 1 . . . . . 205 LYS N . 53733 1 195 . 2 . 2 55 55 LYS H H 1 9.3754 0.0000 . 1 . . . . . 206 LYS H . 53733 1 196 . 2 . 2 55 55 LYS CA C 13 52.0943 0.0000 . 1 . . . . . 206 LYS CA . 53733 1 197 . 2 . 2 55 55 LYS N N 15 127.0398 0.0000 . 1 . . . . . 206 LYS N . 53733 1 198 . 2 . 2 56 56 PRO C C 13 176.3342 0.0000 . 1 . . . . . 207 PRO C . 53733 1 199 . 2 . 2 56 56 PRO CA C 13 63.2501 0.0000 . 1 . . . . . 207 PRO CA . 53733 1 200 . 2 . 2 57 57 ILE H H 1 8.0582 0.0000 . 1 . . . . . 208 ILE H . 53733 1 201 . 2 . 2 57 57 ILE C C 13 174.9144 0.0000 . 1 . . . . . 208 ILE C . 53733 1 202 . 2 . 2 57 57 ILE CA C 13 57.6218 0.0000 . 1 . . . . . 208 ILE CA . 53733 1 203 . 2 . 2 57 57 ILE N N 15 122.3511 0.0000 . 1 . . . . . 208 ILE N . 53733 1 204 . 2 . 2 58 58 GLY H H 1 8.5021 0.0000 . 1 . . . . . 209 GLY H . 53733 1 205 . 2 . 2 58 58 GLY C C 13 176.4184 0.0000 . 1 . . . . . 209 GLY C . 53733 1 206 . 2 . 2 58 58 GLY CA C 13 45.5028 0.0000 . 1 . . . . . 209 GLY CA . 53733 1 207 . 2 . 2 58 58 GLY N N 15 111.4057 0.0000 . 1 . . . . . 209 GLY N . 53733 1 208 . 2 . 2 59 59 TRP H H 1 8.9887 0.0000 . 1 . . . . . 210 TRP H . 53733 1 209 . 2 . 2 59 59 TRP C C 13 176.0681 0.0000 . 1 . . . . . 210 TRP C . 53733 1 210 . 2 . 2 59 59 TRP CA C 13 60.4549 0.0000 . 1 . . . . . 210 TRP CA . 53733 1 211 . 2 . 2 59 59 TRP N N 15 125.1330 0.0000 . 1 . . . . . 210 TRP N . 53733 1 212 . 2 . 2 60 60 ASP H H 1 8.5567 0.0000 . 1 . . . . . 211 ASP H . 53733 1 213 . 2 . 2 60 60 ASP C C 13 175.0252 0.0000 . 1 . . . . . 211 ASP C . 53733 1 214 . 2 . 2 60 60 ASP CA C 13 54.0501 0.0000 . 1 . . . . . 211 ASP CA . 53733 1 215 . 2 . 2 60 60 ASP N N 15 113.9798 0.0000 . 1 . . . . . 211 ASP N . 53733 1 216 . 2 . 2 61 61 THR H H 1 7.2796 0.0000 . 1 . . . . . 212 THR H . 53733 1 217 . 2 . 2 61 61 THR C C 13 172.7516 0.0000 . 1 . . . . . 212 THR C . 53733 1 218 . 2 . 2 61 61 THR CA C 13 63.5309 0.0000 . 1 . . . . . 212 THR CA . 53733 1 219 . 2 . 2 61 61 THR N N 15 116.0384 0.0000 . 1 . . . . . 212 THR N . 53733 1 220 . 2 . 2 62 62 ASP H H 1 7.3436 0.0000 . 1 . . . . . 213 ASP H . 53733 1 221 . 2 . 2 62 62 ASP C C 13 177.1371 0.0000 . 1 . . . . . 213 ASP C . 53733 1 222 . 2 . 2 62 62 ASP CA C 13 54.4142 0.0000 . 1 . . . . . 213 ASP CA . 53733 1 223 . 2 . 2 62 62 ASP N N 15 126.2071 0.0000 . 1 . . . . . 213 ASP N . 53733 1 224 . 2 . 2 63 63 ILE H H 1 9.1067 0.0000 . 1 . . . . . 214 ILE H . 53733 1 225 . 2 . 2 63 63 ILE C C 13 176.3161 0.0000 . 1 . . . . . 214 ILE C . 53733 1 226 . 2 . 2 63 63 ILE CA C 13 62.1067 0.0000 . 1 . . . . . 214 ILE CA . 53733 1 227 . 2 . 2 63 63 ILE N N 15 128.9289 0.0000 . 1 . . . . . 214 ILE N . 53733 1 228 . 2 . 2 64 64 SER H H 1 8.9604 0.0000 . 1 . . . . . 215 SER H . 53733 1 229 . 2 . 2 64 64 SER C C 13 177.6960 0.0000 . 1 . . . . . 215 SER C . 53733 1 230 . 2 . 2 64 64 SER CA C 13 61.1773 0.0000 . 1 . . . . . 215 SER CA . 53733 1 231 . 2 . 2 64 64 SER N N 15 118.0500 0.0000 . 1 . . . . . 215 SER N . 53733 1 232 . 2 . 2 65 65 TRP H H 1 8.0127 0.0000 . 1 . . . . . 216 TRP H . 53733 1 233 . 2 . 2 65 65 TRP C C 13 176.7264 0.0000 . 1 . . . . . 216 TRP C . 53733 1 234 . 2 . 2 65 65 TRP CA C 13 57.4917 0.0000 . 1 . . . . . 216 TRP CA . 53733 1 235 . 2 . 2 65 65 TRP N N 15 124.3585 0.0000 . 1 . . . . . 216 TRP N . 53733 1 236 . 2 . 2 66 66 LEU H H 1 7.8475 0.0000 . 1 . . . . . 217 LEU H . 53733 1 237 . 2 . 2 66 66 LEU C C 13 174.7135 0.0000 . 1 . . . . . 217 LEU C . 53733 1 238 . 2 . 2 66 66 LEU CA C 13 53.2285 0.0000 . 1 . . . . . 217 LEU CA . 53733 1 239 . 2 . 2 66 66 LEU N N 15 119.1629 0.0000 . 1 . . . . . 217 LEU N . 53733 1 240 . 2 . 2 67 67 THR H H 1 7.0219 0.0000 . 1 . . . . . 218 THR H . 53733 1 241 . 2 . 2 67 67 THR C C 13 175.5615 0.0000 . 1 . . . . . 218 THR C . 53733 1 242 . 2 . 2 67 67 THR CA C 13 65.4112 0.0000 . 1 . . . . . 218 THR CA . 53733 1 243 . 2 . 2 67 67 THR N N 15 113.2072 0.0000 . 1 . . . . . 218 THR N . 53733 1 244 . 2 . 2 68 68 GLY H H 1 8.9443 0.0000 . 1 . . . . . 219 GLY H . 53733 1 245 . 2 . 2 68 68 GLY C C 13 174.2815 0.0000 . 1 . . . . . 219 GLY C . 53733 1 246 . 2 . 2 68 68 GLY CA C 13 45.6846 0.0000 . 1 . . . . . 219 GLY CA . 53733 1 247 . 2 . 2 68 68 GLY N N 15 114.5942 0.0000 . 1 . . . . . 219 GLY N . 53733 1 248 . 2 . 2 69 69 GLU H H 1 8.2094 0.0000 . 1 . . . . . 220 GLU H . 53733 1 249 . 2 . 2 69 69 GLU C C 13 175.2670 0.0000 . 1 . . . . . 220 GLU C . 53733 1 250 . 2 . 2 69 69 GLU CA C 13 55.1157 0.0000 . 1 . . . . . 220 GLU CA . 53733 1 251 . 2 . 2 69 69 GLU N N 15 119.2213 0.0000 . 1 . . . . . 220 GLU N . 53733 1 252 . 2 . 2 70 70 GLU H H 1 8.4925 0.0000 . 1 . . . . . 221 GLU H . 53733 1 253 . 2 . 2 70 70 GLU C C 13 175.8473 0.0000 . 1 . . . . . 221 GLU C . 53733 1 254 . 2 . 2 70 70 GLU CA C 13 54.8249 0.0000 . 1 . . . . . 221 GLU CA . 53733 1 255 . 2 . 2 70 70 GLU N N 15 118.8229 0.0000 . 1 . . . . . 221 GLU N . 53733 1 256 . 2 . 2 71 71 LEU H H 1 8.7172 0.0000 . 1 . . . . . 222 LEU H . 53733 1 257 . 2 . 2 71 71 LEU C C 13 175.2603 0.0000 . 1 . . . . . 222 LEU C . 53733 1 258 . 2 . 2 71 71 LEU CA C 13 52.6151 0.0000 . 1 . . . . . 222 LEU CA . 53733 1 259 . 2 . 2 71 71 LEU N N 15 122.1663 0.0000 . 1 . . . . . 222 LEU N . 53733 1 260 . 2 . 2 72 72 HIS H H 1 9.0089 0.0000 . 1 . . . . . 223 HIS H . 53733 1 261 . 2 . 2 72 72 HIS C C 13 173.6165 0.0000 . 1 . . . . . 223 HIS C . 53733 1 262 . 2 . 2 72 72 HIS CA C 13 55.1420 0.0000 . 1 . . . . . 223 HIS CA . 53733 1 263 . 2 . 2 72 72 HIS N N 15 119.2599 0.0000 . 1 . . . . . 223 HIS N . 53733 1 264 . 2 . 2 73 73 VAL H H 1 8.6826 0.0000 . 1 . . . . . 224 VAL H . 53733 1 265 . 2 . 2 73 73 VAL C C 13 174.8964 0.0000 . 1 . . . . . 224 VAL C . 53733 1 266 . 2 . 2 73 73 VAL CA C 13 60.5992 0.0000 . 1 . . . . . 224 VAL CA . 53733 1 267 . 2 . 2 73 73 VAL N N 15 122.3405 0.0000 . 1 . . . . . 224 VAL N . 53733 1 268 . 2 . 2 74 74 GLU H H 1 9.0778 0.0000 . 1 . . . . . 225 GLU H . 53733 1 269 . 2 . 2 74 74 GLU C C 13 175.0189 0.0000 . 1 . . . . . 225 GLU C . 53733 1 270 . 2 . 2 74 74 GLU CA C 13 53.5765 0.0000 . 1 . . . . . 225 GLU CA . 53733 1 271 . 2 . 2 74 74 GLU N N 15 124.7166 0.0000 . 1 . . . . . 225 GLU N . 53733 1 272 . 2 . 2 75 75 VAL H H 1 8.6759 0.0000 . 1 . . . . . 226 VAL H . 53733 1 273 . 2 . 2 75 75 VAL C C 13 176.3200 0.0000 . 1 . . . . . 226 VAL C . 53733 1 274 . 2 . 2 75 75 VAL CA C 13 62.9341 0.0000 . 1 . . . . . 226 VAL CA . 53733 1 275 . 2 . 2 75 75 VAL N N 15 121.8191 0.0000 . 1 . . . . . 226 VAL N . 53733 1 276 . 2 . 2 76 76 LEU H H 1 8.3549 0.0000 . 1 . . . . . 227 LEU H . 53733 1 277 . 2 . 2 76 76 LEU CA C 13 57.3702 0.0000 . 1 . . . . . 227 LEU CA . 53733 1 278 . 2 . 2 76 76 LEU N N 15 133.1084 0.0000 . 1 . . . . . 227 LEU N . 53733 1 stop_ save_