################################### # 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 51084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TGM-1 D3 bound to TbRII Chemical Shift Assignment' _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 ; If the chemical shift value for an atom is derived from multiple experiments, the error is set as the standard deviation of the set of chemical shift values. If the chemical shift value is derived from a single experiment, for 1H the error is set as 0.05, for 13C the error is set as 0.2, and for 15N the error is set as 0.2. ; _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' . . . 51084 1 2 '3D HN(CA)CO' . . . 51084 1 3 '3D HNCO' . . . 51084 1 4 '3D CBCA(CO)NH' . . . 51084 1 5 '2D 1H-15N HSQC' . . . 51084 1 6 '2D 1H-15N HSQC' . . . 51084 1 7 '3D 1H-15N NOESY' . . . 51084 1 8 '2D 1H-15N HSQC' . . . 51084 1 9 '3D 1H-15N NOESY' . . . 51084 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 3 $software_3 . . 51084 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 . 1 . 1 2 2 SER C C 13 174.884 0.2 . 1 . . . . . 174 SER C . 51084 1 2 . 1 . 1 2 2 SER CA C 13 58.559 0.2 . 1 . . . . . 174 SER CA . 51084 1 3 . 1 . 1 2 2 SER CB C 13 63.981 0.2 . 1 . . . . . 174 SER CB . 51084 1 4 . 1 . 1 3 3 GLY H H 1 8.5 0.01 . 1 . . . . . 175 GLY H . 51084 1 5 . 1 . 1 3 3 GLY C C 13 174.404 0.01 . 1 . . . . . 175 GLY C . 51084 1 6 . 1 . 1 3 3 GLY CA C 13 45.436 0.2 . 1 . . . . . 175 GLY CA . 51084 1 7 . 1 . 1 3 3 GLY N N 15 110.985 0.04 . 1 . . . . . 175 GLY N . 51084 1 8 . 1 . 1 4 4 THR H H 1 7.99 0.01 . 1 . . . . . 176 THR H . 51084 1 9 . 1 . 1 4 4 THR C C 13 175.075 0.2 . 1 . . . . . 176 THR C . 51084 1 10 . 1 . 1 4 4 THR CA C 13 61.931 0.02 . 1 . . . . . 176 THR CA . 51084 1 11 . 1 . 1 4 4 THR CB C 13 69.826 0.2 . 1 . . . . . 176 THR CB . 51084 1 12 . 1 . 1 4 4 THR N N 15 112.97 0.02 . 1 . . . . . 176 THR N . 51084 1 13 . 1 . 1 5 5 GLY H H 1 8.081 0.01 . 1 . . . . . 177 GLY H . 51084 1 14 . 1 . 1 5 5 GLY C C 13 172.329 0.01 . 1 . . . . . 177 GLY C . 51084 1 15 . 1 . 1 5 5 GLY CA C 13 44.534 0.03 . 1 . . . . . 177 GLY CA . 51084 1 16 . 1 . 1 5 5 GLY N N 15 109.919 0.01 . 1 . . . . . 177 GLY N . 51084 1 17 . 1 . 1 6 6 CYS H H 1 9.099 0.01 . 1 . . . . . 178 CYS H . 51084 1 18 . 1 . 1 6 6 CYS C C 13 171.444 0.2 . 1 . . . . . 178 CYS C . 51084 1 19 . 1 . 1 6 6 CYS CA C 13 55.653 0.2 . 1 . . . . . 178 CYS CA . 51084 1 20 . 1 . 1 6 6 CYS N N 15 117.717 0.02 . 1 . . . . . 178 CYS N . 51084 1 21 . 1 . 1 8 8 PRO C C 13 177.377 0.02 . 1 . . . . . 180 PRO C . 51084 1 22 . 1 . 1 8 8 PRO CA C 13 63.67 0.02 . 1 . . . . . 180 PRO CA . 51084 1 23 . 1 . 1 8 8 PRO CB C 13 31.826 0.2 . 1 . . . . . 180 PRO CB . 51084 1 24 . 1 . 1 9 9 LEU H H 1 7.704 0.01 . 1 . . . . . 181 LEU H . 51084 1 25 . 1 . 1 9 9 LEU C C 13 175.163 0.2 . 1 . . . . . 181 LEU C . 51084 1 26 . 1 . 1 9 9 LEU CA C 13 53.24 0.2 . 1 . . . . . 181 LEU CA . 51084 1 27 . 1 . 1 9 9 LEU N N 15 125.796 0.06 . 1 . . . . . 181 LEU N . 51084 1 28 . 1 . 1 10 10 PRO C C 13 176.047 0.03 . 1 . . . . . 182 PRO C . 51084 1 29 . 1 . 1 10 10 PRO CA C 13 63.222 0.2 . 1 . . . . . 182 PRO CA . 51084 1 30 . 1 . 1 10 10 PRO CB C 13 31.148 0.2 . 1 . . . . . 182 PRO CB . 51084 1 31 . 1 . 1 11 11 ASP H H 1 8.239 0.01 . 1 . . . . . 183 ASP H . 51084 1 32 . 1 . 1 11 11 ASP C C 13 176.355 0.01 . 1 . . . . . 183 ASP C . 51084 1 33 . 1 . 1 11 11 ASP CA C 13 54.242 0.05 . 1 . . . . . 183 ASP CA . 51084 1 34 . 1 . 1 11 11 ASP CB C 13 41.691 0.2 . 1 . . . . . 183 ASP CB . 51084 1 35 . 1 . 1 11 11 ASP N N 15 126.122 0.03 . 1 . . . . . 183 ASP N . 51084 1 36 . 1 . 1 12 12 ASP H H 1 9.166 0.01 . 1 . . . . . 184 ASP H . 51084 1 37 . 1 . 1 12 12 ASP C C 13 176.294 0.2 . 1 . . . . . 184 ASP C . 51084 1 38 . 1 . 1 12 12 ASP CA C 13 53.948 0.03 . 1 . . . . . 184 ASP CA . 51084 1 39 . 1 . 1 12 12 ASP CB C 13 41.47 0.2 . 1 . . . . . 184 ASP CB . 51084 1 40 . 1 . 1 12 12 ASP N N 15 123.182 0.04 . 1 . . . . . 184 ASP N . 51084 1 41 . 1 . 1 13 13 GLY H H 1 8.553 0.01 . 1 . . . . . 185 GLY H . 51084 1 42 . 1 . 1 13 13 GLY C C 13 173.558 0.02 . 1 . . . . . 185 GLY C . 51084 1 43 . 1 . 1 13 13 GLY CA C 13 46.194 0.03 . 1 . . . . . 185 GLY CA . 51084 1 44 . 1 . 1 13 13 GLY N N 15 105.214 0.04 . 1 . . . . . 185 GLY N . 51084 1 45 . 1 . 1 14 14 ILE H H 1 9.195 0.01 . 1 . . . . . 186 ILE H . 51084 1 46 . 1 . 1 14 14 ILE C C 13 176.762 0.02 . 1 . . . . . 186 ILE C . 51084 1 47 . 1 . 1 14 14 ILE CA C 13 63.046 0.04 . 1 . . . . . 186 ILE CA . 51084 1 48 . 1 . 1 14 14 ILE CB C 13 39.441 0.2 . 1 . . . . . 186 ILE CB . 51084 1 49 . 1 . 1 14 14 ILE N N 15 121.278 0.03 . 1 . . . . . 186 ILE N . 51084 1 50 . 1 . 1 15 15 VAL H H 1 8.947 0.01 . 1 . . . . . 187 VAL H . 51084 1 51 . 1 . 1 15 15 VAL C C 13 173.558 0.01 . 1 . . . . . 187 VAL C . 51084 1 52 . 1 . 1 15 15 VAL CA C 13 59.151 0.02 . 1 . . . . . 187 VAL CA . 51084 1 53 . 1 . 1 15 15 VAL CB C 13 35.999 0.2 . 1 . . . . . 187 VAL CB . 51084 1 54 . 1 . 1 15 15 VAL N N 15 118.762 0.03 . 1 . . . . . 187 VAL N . 51084 1 55 . 1 . 1 16 16 PHE H H 1 8.187 0.01 . 1 . . . . . 188 PHE H . 51084 1 56 . 1 . 1 16 16 PHE C C 13 172.376 0.01 . 1 . . . . . 188 PHE C . 51084 1 57 . 1 . 1 16 16 PHE CA C 13 55.951 0.04 . 1 . . . . . 188 PHE CA . 51084 1 58 . 1 . 1 16 16 PHE CB C 13 41.358 0.2 . 1 . . . . . 188 PHE CB . 51084 1 59 . 1 . 1 16 16 PHE N N 15 116.028 0.02 . 1 . . . . . 188 PHE N . 51084 1 60 . 1 . 1 17 17 TYR H H 1 8.309 0.01 . 1 . . . . . 189 TYR H . 51084 1 61 . 1 . 1 17 17 TYR C C 13 175.505 0.01 . 1 . . . . . 189 TYR C . 51084 1 62 . 1 . 1 17 17 TYR CA C 13 57.199 0.04 . 1 . . . . . 189 TYR CA . 51084 1 63 . 1 . 1 17 17 TYR CB C 13 41.835 0.2 . 1 . . . . . 189 TYR CB . 51084 1 64 . 1 . 1 17 17 TYR N N 15 117.074 0.05 . 1 . . . . . 189 TYR N . 51084 1 65 . 1 . 1 18 18 GLU H H 1 8.685 0.01 . 1 . . . . . 190 GLU H . 51084 1 66 . 1 . 1 18 18 GLU C C 13 173.913 0.01 . 1 . . . . . 190 GLU C . 51084 1 67 . 1 . 1 18 18 GLU CA C 13 54.093 0.02 . 1 . . . . . 190 GLU CA . 51084 1 68 . 1 . 1 18 18 GLU CB C 13 35.263 0.2 . 1 . . . . . 190 GLU CB . 51084 1 69 . 1 . 1 18 18 GLU N N 15 119.666 0.05 . 1 . . . . . 190 GLU N . 51084 1 70 . 1 . 1 19 19 TYR H H 1 7.831 0.01 . 1 . . . . . 191 TYR H . 51084 1 71 . 1 . 1 19 19 TYR C C 13 174.393 0.2 . 1 . . . . . 191 TYR C . 51084 1 72 . 1 . 1 19 19 TYR CA C 13 58.554 0.01 . 1 . . . . . 191 TYR CA . 51084 1 73 . 1 . 1 19 19 TYR CB C 13 41.111 0.2 . 1 . . . . . 191 TYR CB . 51084 1 74 . 1 . 1 19 19 TYR N N 15 118.807 0.04 . 1 . . . . . 191 TYR N . 51084 1 75 . 1 . 1 20 20 TYR H H 1 8.906 0.01 . 1 . . . . . 192 TYR H . 51084 1 76 . 1 . 1 20 20 TYR C C 13 176.015 0.2 . 1 . . . . . 192 TYR C . 51084 1 77 . 1 . 1 20 20 TYR CA C 13 56.321 0.04 . 1 . . . . . 192 TYR CA . 51084 1 78 . 1 . 1 20 20 TYR CB C 13 44.19 0.2 . 1 . . . . . 192 TYR CB . 51084 1 79 . 1 . 1 20 20 TYR N N 15 120.085 0.06 . 1 . . . . . 192 TYR N . 51084 1 80 . 1 . 1 21 21 GLY H H 1 9.806 0.01 . 1 . . . . . 193 GLY H . 51084 1 81 . 1 . 1 21 21 GLY C C 13 174.928 0.02 . 1 . . . . . 193 GLY C . 51084 1 82 . 1 . 1 21 21 GLY CA C 13 45.951 0.02 . 1 . . . . . 193 GLY CA . 51084 1 83 . 1 . 1 21 21 GLY N N 15 108.856 0.01 . 1 . . . . . 193 GLY N . 51084 1 84 . 1 . 1 22 22 TYR H H 1 8.308 0.01 . 1 . . . . . 194 TYR H . 51084 1 85 . 1 . 1 22 22 TYR C C 13 175.55 0.01 . 1 . . . . . 194 TYR C . 51084 1 86 . 1 . 1 22 22 TYR CA C 13 61.271 0.02 . 1 . . . . . 194 TYR CA . 51084 1 87 . 1 . 1 22 22 TYR CB C 13 38.917 0.2 . 1 . . . . . 194 TYR CB . 51084 1 88 . 1 . 1 22 22 TYR N N 15 125.415 0.03 . 1 . . . . . 194 TYR N . 51084 1 89 . 1 . 1 23 23 ALA H H 1 8.219 0.02 . 1 . . . . . 195 ALA H . 51084 1 90 . 1 . 1 23 23 ALA C C 13 177.124 0.2 . 1 . . . . . 195 ALA C . 51084 1 91 . 1 . 1 23 23 ALA CA C 13 51.246 0.2 . 1 . . . . . 195 ALA CA . 51084 1 92 . 1 . 1 23 23 ALA N N 15 130.689 0.08 . 1 . . . . . 195 ALA N . 51084 1 93 . 1 . 1 24 24 GLY C C 13 172.01 0.2 . 1 . . . . . 196 GLY C . 51084 1 94 . 1 . 1 24 24 GLY CA C 13 46.457 0.04 . 1 . . . . . 196 GLY CA . 51084 1 95 . 1 . 1 25 25 ASP H H 1 6.9 0.01 . 1 . . . . . 197 ASP H . 51084 1 96 . 1 . 1 25 25 ASP C C 13 175.591 0.01 . 1 . . . . . 197 ASP C . 51084 1 97 . 1 . 1 25 25 ASP CA C 13 54.231 0.01 . 1 . . . . . 197 ASP CA . 51084 1 98 . 1 . 1 25 25 ASP CB C 13 41.704 0.2 . 1 . . . . . 197 ASP CB . 51084 1 99 . 1 . 1 25 25 ASP N N 15 113.132 0.04 . 1 . . . . . 197 ASP N . 51084 1 100 . 1 . 1 26 26 ARG H H 1 8.622 0.01 . 1 . . . . . 198 ARG H . 51084 1 101 . 1 . 1 26 26 ARG C C 13 174.492 0.01 . 1 . . . . . 198 ARG C . 51084 1 102 . 1 . 1 26 26 ARG CA C 13 57.347 0.02 . 1 . . . . . 198 ARG CA . 51084 1 103 . 1 . 1 26 26 ARG CB C 13 30.814 0.2 . 1 . . . . . 198 ARG CB . 51084 1 104 . 1 . 1 26 26 ARG N N 15 116.602 0.02 . 1 . . . . . 198 ARG N . 51084 1 105 . 1 . 1 27 27 HIS H H 1 8.456 0.01 . 1 . . . . . 199 HIS H . 51084 1 106 . 1 . 1 27 27 HIS C C 13 175.478 0.01 . 1 . . . . . 199 HIS C . 51084 1 107 . 1 . 1 27 27 HIS CA C 13 56.788 0.02 . 1 . . . . . 199 HIS CA . 51084 1 108 . 1 . 1 27 27 HIS CB C 13 32.397 0.2 . 1 . . . . . 199 HIS CB . 51084 1 109 . 1 . 1 27 27 HIS N N 15 114.69 0.02 . 1 . . . . . 199 HIS N . 51084 1 110 . 1 . 1 28 28 THR H H 1 8.974 0.01 . 1 . . . . . 200 THR H . 51084 1 111 . 1 . 1 28 28 THR C C 13 174.382 0.01 . 1 . . . . . 200 THR C . 51084 1 112 . 1 . 1 28 28 THR CA C 13 64.435 0.02 . 1 . . . . . 200 THR CA . 51084 1 113 . 1 . 1 28 28 THR CB C 13 68.206 0.2 . 1 . . . . . 200 THR CB . 51084 1 114 . 1 . 1 28 28 THR N N 15 120.643 0.07 . 1 . . . . . 200 THR N . 51084 1 115 . 1 . 1 29 29 VAL H H 1 8.929 0.01 . 1 . . . . . 201 VAL H . 51084 1 116 . 1 . 1 29 29 VAL C C 13 175.797 0.02 . 1 . . . . . 201 VAL C . 51084 1 117 . 1 . 1 29 29 VAL CA C 13 63.927 0.04 . 1 . . . . . 201 VAL CA . 51084 1 118 . 1 . 1 29 29 VAL CB C 13 31.617 0.2 . 1 . . . . . 201 VAL CB . 51084 1 119 . 1 . 1 29 29 VAL N N 15 131.455 0.02 . 1 . . . . . 201 VAL N . 51084 1 120 . 1 . 1 30 30 GLY H H 1 6.888 0.01 . 1 . . . . . 202 GLY H . 51084 1 121 . 1 . 1 30 30 GLY C C 13 175.782 0.2 . 1 . . . . . 202 GLY C . 51084 1 122 . 1 . 1 30 30 GLY CA C 13 44.023 0.2 . 1 . . . . . 202 GLY CA . 51084 1 123 . 1 . 1 30 30 GLY N N 15 115.364 0.02 . 1 . . . . . 202 GLY N . 51084 1 124 . 1 . 1 31 31 PRO C C 13 177.123 0.2 . 1 . . . . . 203 PRO C . 51084 1 125 . 1 . 1 31 31 PRO CA C 13 62.563 0.01 . 1 . . . . . 203 PRO CA . 51084 1 126 . 1 . 1 31 31 PRO CB C 13 32.105 0.2 . 1 . . . . . 203 PRO CB . 51084 1 127 . 1 . 1 32 32 VAL H H 1 8.554 0.01 . 1 . . . . . 204 VAL H . 51084 1 128 . 1 . 1 32 32 VAL C C 13 176.458 0.2 . 1 . . . . . 204 VAL C . 51084 1 129 . 1 . 1 32 32 VAL CA C 13 64.755 0.03 . 1 . . . . . 204 VAL CA . 51084 1 130 . 1 . 1 32 32 VAL CB C 13 32.545 0.2 . 1 . . . . . 204 VAL CB . 51084 1 131 . 1 . 1 32 32 VAL N N 15 121.936 0.01 . 1 . . . . . 204 VAL N . 51084 1 132 . 1 . 1 33 33 VAL H H 1 7.768 0.01 . 1 . . . . . 205 VAL H . 51084 1 133 . 1 . 1 33 33 VAL C C 13 174.842 0.01 . 1 . . . . . 205 VAL C . 51084 1 134 . 1 . 1 33 33 VAL CA C 13 61.133 0.03 . 1 . . . . . 205 VAL CA . 51084 1 135 . 1 . 1 33 33 VAL CB C 13 34.532 0.2 . 1 . . . . . 205 VAL CB . 51084 1 136 . 1 . 1 33 33 VAL N N 15 126.5 0.02 . 1 . . . . . 205 VAL N . 51084 1 137 . 1 . 1 34 34 THR H H 1 8.069 0.01 . 1 . . . . . 206 THR H . 51084 1 138 . 1 . 1 34 34 THR C C 13 173.627 0.02 . 1 . . . . . 206 THR C . 51084 1 139 . 1 . 1 34 34 THR CA C 13 60.156 0.05 . 1 . . . . . 206 THR CA . 51084 1 140 . 1 . 1 34 34 THR CB C 13 70.873 0.2 . 1 . . . . . 206 THR CB . 51084 1 141 . 1 . 1 34 34 THR N N 15 117.31 0.01 . 1 . . . . . 206 THR N . 51084 1 142 . 1 . 1 35 35 LYS H H 1 7.948 0.01 . 1 . . . . . 207 LYS H . 51084 1 143 . 1 . 1 35 35 LYS C C 13 177.131 0.01 . 1 . . . . . 207 LYS C . 51084 1 144 . 1 . 1 35 35 LYS CA C 13 56.626 0.02 . 1 . . . . . 207 LYS CA . 51084 1 145 . 1 . 1 35 35 LYS CB C 13 33.399 0.2 . 1 . . . . . 207 LYS CB . 51084 1 146 . 1 . 1 35 35 LYS N N 15 120.859 0.04 . 1 . . . . . 207 LYS N . 51084 1 147 . 1 . 1 36 36 ASP H H 1 8.876 0.01 . 1 . . . . . 208 ASP H . 51084 1 148 . 1 . 1 36 36 ASP C C 13 178.535 0.01 . 1 . . . . . 208 ASP C . 51084 1 149 . 1 . 1 36 36 ASP CA C 13 52.608 0.04 . 1 . . . . . 208 ASP CA . 51084 1 150 . 1 . 1 36 36 ASP CB C 13 41.205 0.2 . 1 . . . . . 208 ASP CB . 51084 1 151 . 1 . 1 36 36 ASP N N 15 121.443 0.02 . 1 . . . . . 208 ASP N . 51084 1 152 . 1 . 1 37 37 SER H H 1 8.386 0.01 . 1 . . . . . 209 SER H . 51084 1 153 . 1 . 1 37 37 SER C C 13 175.619 0.2 . 1 . . . . . 209 SER C . 51084 1 154 . 1 . 1 37 37 SER CA C 13 61.049 0.06 . 1 . . . . . 209 SER CA . 51084 1 155 . 1 . 1 37 37 SER CB C 13 62.907 0.2 . 1 . . . . . 209 SER CB . 51084 1 156 . 1 . 1 37 37 SER N N 15 113.31 0.04 . 1 . . . . . 209 SER N . 51084 1 157 . 1 . 1 38 38 SER H H 1 8.314 0.01 . 1 . . . . . 210 SER H . 51084 1 158 . 1 . 1 38 38 SER C C 13 173.764 0.2 . 1 . . . . . 210 SER C . 51084 1 159 . 1 . 1 38 38 SER CA C 13 58.758 0.03 . 1 . . . . . 210 SER CA . 51084 1 160 . 1 . 1 38 38 SER CB C 13 64.288 0.2 . 1 . . . . . 210 SER CB . 51084 1 161 . 1 . 1 38 38 SER N N 15 117.834 0.04 . 1 . . . . . 210 SER N . 51084 1 162 . 1 . 1 39 39 GLY H H 1 8.049 0.01 . 1 . . . . . 211 GLY H . 51084 1 163 . 1 . 1 39 39 GLY C C 13 172.54 0.01 . 1 . . . . . 211 GLY C . 51084 1 164 . 1 . 1 39 39 GLY CA C 13 45.2 0.01 . 1 . . . . . 211 GLY CA . 51084 1 165 . 1 . 1 39 39 GLY N N 15 109.307 0.01 . 1 . . . . . 211 GLY N . 51084 1 166 . 1 . 1 40 40 ASN H H 1 7.833 0.01 . 1 . . . . . 212 ASN H . 51084 1 167 . 1 . 1 40 40 ASN C C 13 173.539 0.2 . 1 . . . . . 212 ASN C . 51084 1 168 . 1 . 1 40 40 ASN CA C 13 51.36 0.07 . 1 . . . . . 212 ASN CA . 51084 1 169 . 1 . 1 40 40 ASN CB C 13 40.789 0.2 . 1 . . . . . 212 ASN CB . 51084 1 170 . 1 . 1 40 40 ASN N N 15 117.264 0.02 . 1 . . . . . 212 ASN N . 51084 1 171 . 1 . 1 41 41 TYR H H 1 9.099 0.01 . 1 . . . . . 213 TYR H . 51084 1 172 . 1 . 1 41 41 TYR C C 13 173.695 0.2 . 1 . . . . . 213 TYR C . 51084 1 173 . 1 . 1 41 41 TYR CA C 13 56.584 0.2 . 1 . . . . . 213 TYR CA . 51084 1 174 . 1 . 1 41 41 TYR N N 15 117.731 0.01 . 1 . . . . . 213 TYR N . 51084 1 175 . 1 . 1 42 42 PRO C C 13 178.274 0.01 . 1 . . . . . 214 PRO C . 51084 1 176 . 1 . 1 42 42 PRO CA C 13 61.462 0.01 . 1 . . . . . 214 PRO CA . 51084 1 177 . 1 . 1 42 42 PRO CB C 13 32.121 0.2 . 1 . . . . . 214 PRO CB . 51084 1 178 . 1 . 1 43 43 SER H H 1 8.913 0.01 . 1 . . . . . 215 SER H . 51084 1 179 . 1 . 1 43 43 SER C C 13 174.222 0.2 . 1 . . . . . 215 SER C . 51084 1 180 . 1 . 1 43 43 SER CA C 13 56.114 0.2 . 1 . . . . . 215 SER CA . 51084 1 181 . 1 . 1 43 43 SER N N 15 118.193 0.04 . 1 . . . . . 215 SER N . 51084 1 182 . 1 . 1 44 44 PRO C C 13 173.71 0.2 . 1 . . . . . 216 PRO C . 51084 1 183 . 1 . 1 44 44 PRO CA C 13 62.547 0.03 . 1 . . . . . 216 PRO CA . 51084 1 184 . 1 . 1 44 44 PRO CB C 13 30.428 0.2 . 1 . . . . . 216 PRO CB . 51084 1 185 . 1 . 1 45 45 THR H H 1 8.002 0.01 . 1 . . . . . 217 THR H . 51084 1 186 . 1 . 1 45 45 THR C C 13 170.585 0.2 . 1 . . . . . 217 THR C . 51084 1 187 . 1 . 1 45 45 THR CA C 13 67.597 0.09 . 1 . . . . . 217 THR CA . 51084 1 188 . 1 . 1 45 45 THR CB C 13 69.663 0.2 . 1 . . . . . 217 THR CB . 51084 1 189 . 1 . 1 45 45 THR N N 15 117.56 0.03 . 1 . . . . . 217 THR N . 51084 1 190 . 1 . 1 46 46 HIS H H 1 10.33 0.01 . 1 . . . . . 218 HIS H . 51084 1 191 . 1 . 1 46 46 HIS C C 13 174.466 0.02 . 1 . . . . . 218 HIS C . 51084 1 192 . 1 . 1 46 46 HIS CA C 13 52.361 0.06 . 1 . . . . . 218 HIS CA . 51084 1 193 . 1 . 1 46 46 HIS CB C 13 33.591 0.2 . 1 . . . . . 218 HIS CB . 51084 1 194 . 1 . 1 46 46 HIS N N 15 132.048 0.1 . 1 . . . . . 218 HIS N . 51084 1 195 . 1 . 1 47 47 ALA H H 1 9.281 0.01 . 1 . . . . . 219 ALA H . 51084 1 196 . 1 . 1 47 47 ALA C C 13 175.211 0.05 . 1 . . . . . 219 ALA C . 51084 1 197 . 1 . 1 47 47 ALA CA C 13 51.735 0.07 . 1 . . . . . 219 ALA CA . 51084 1 198 . 1 . 1 47 47 ALA CB C 13 21.319 0.2 . 1 . . . . . 219 ALA CB . 51084 1 199 . 1 . 1 47 47 ALA N N 15 128.946 0.03 . 1 . . . . . 219 ALA N . 51084 1 200 . 1 . 1 48 48 ARG H H 1 9.516 0.01 . 1 . . . . . 220 ARG H . 51084 1 201 . 1 . 1 48 48 ARG C C 13 173.561 0.2 . 1 . . . . . 220 ARG C . 51084 1 202 . 1 . 1 48 48 ARG CA C 13 54.485 0.03 . 1 . . . . . 220 ARG CA . 51084 1 203 . 1 . 1 48 48 ARG CB C 13 33.634 0.2 . 1 . . . . . 220 ARG CB . 51084 1 204 . 1 . 1 48 48 ARG N N 15 128.031 0.04 . 1 . . . . . 220 ARG N . 51084 1 205 . 1 . 1 49 49 ARG H H 1 8.962 0.01 . 1 . . . . . 221 ARG H . 51084 1 206 . 1 . 1 49 49 ARG C C 13 175.106 0.2 . 1 . . . . . 221 ARG C . 51084 1 207 . 1 . 1 49 49 ARG CA C 13 55.149 0.05 . 1 . . . . . 221 ARG CA . 51084 1 208 . 1 . 1 49 49 ARG CB C 13 32.308 0.2 . 1 . . . . . 221 ARG CB . 51084 1 209 . 1 . 1 49 49 ARG N N 15 128.152 0.04 . 1 . . . . . 221 ARG N . 51084 1 210 . 1 . 1 50 50 ARG H H 1 8.784 0.01 . 1 . . . . . 222 ARG H . 51084 1 211 . 1 . 1 50 50 ARG C C 13 174.465 0.02 . 1 . . . . . 222 ARG C . 51084 1 212 . 1 . 1 50 50 ARG CA C 13 52.835 0.04 . 1 . . . . . 222 ARG CA . 51084 1 213 . 1 . 1 50 50 ARG CB C 13 30.791 0.2 . 1 . . . . . 222 ARG CB . 51084 1 214 . 1 . 1 50 50 ARG N N 15 127.785 0.03 . 1 . . . . . 222 ARG N . 51084 1 215 . 1 . 1 51 51 CYS H H 1 8.87 0.01 . 1 . . . . . 223 CYS H . 51084 1 216 . 1 . 1 51 51 CYS C C 13 175.933 0.01 . 1 . . . . . 223 CYS C . 51084 1 217 . 1 . 1 51 51 CYS CA C 13 52.709 0.12 . 1 . . . . . 223 CYS CA . 51084 1 218 . 1 . 1 51 51 CYS CB C 13 37.227 0.2 . 1 . . . . . 223 CYS CB . 51084 1 219 . 1 . 1 51 51 CYS N N 15 119.074 0.03 . 1 . . . . . 223 CYS N . 51084 1 220 . 1 . 1 52 52 ARG H H 1 8.659 0.01 . 1 . . . . . 224 ARG H . 51084 1 221 . 1 . 1 52 52 ARG C C 13 177.165 0.01 . 1 . . . . . 224 ARG C . 51084 1 222 . 1 . 1 52 52 ARG CA C 13 59.282 0.04 . 1 . . . . . 224 ARG CA . 51084 1 223 . 1 . 1 52 52 ARG CB C 13 30.335 0.2 . 1 . . . . . 224 ARG CB . 51084 1 224 . 1 . 1 52 52 ARG N N 15 124.895 0.04 . 1 . . . . . 224 ARG N . 51084 1 225 . 1 . 1 53 53 ALA H H 1 8.957 0.01 . 1 . . . . . 225 ALA H . 51084 1 226 . 1 . 1 53 53 ALA C C 13 177.118 0.01 . 1 . . . . . 225 ALA C . 51084 1 227 . 1 . 1 53 53 ALA CA C 13 53.048 0.03 . 1 . . . . . 225 ALA CA . 51084 1 228 . 1 . 1 53 53 ALA CB C 13 19.549 0.2 . 1 . . . . . 225 ALA CB . 51084 1 229 . 1 . 1 53 53 ALA N N 15 118.31 0.03 . 1 . . . . . 225 ALA N . 51084 1 230 . 1 . 1 54 54 LEU H H 1 7.465 0.01 . 1 . . . . . 226 LEU H . 51084 1 231 . 1 . 1 54 54 LEU C C 13 176.86 0.01 . 1 . . . . . 226 LEU C . 51084 1 232 . 1 . 1 54 54 LEU CA C 13 53.724 0.02 . 1 . . . . . 226 LEU CA . 51084 1 233 . 1 . 1 54 54 LEU CB C 13 43.891 0.2 . 1 . . . . . 226 LEU CB . 51084 1 234 . 1 . 1 54 54 LEU N N 15 117.761 0.03 . 1 . . . . . 226 LEU N . 51084 1 235 . 1 . 1 55 55 SER H H 1 8.391 0.01 . 1 . . . . . 227 SER H . 51084 1 236 . 1 . 1 55 55 SER C C 13 175.364 0.04 . 1 . . . . . 227 SER C . 51084 1 237 . 1 . 1 55 55 SER CA C 13 58.28 0.02 . 1 . . . . . 227 SER CA . 51084 1 238 . 1 . 1 55 55 SER CB C 13 64.01 0.2 . 1 . . . . . 227 SER CB . 51084 1 239 . 1 . 1 55 55 SER N N 15 117.169 0.04 . 1 . . . . . 227 SER N . 51084 1 240 . 1 . 1 56 56 GLN H H 1 8.684 0.01 . 1 . . . . . 228 GLN H . 51084 1 241 . 1 . 1 56 56 GLN C C 13 176.842 0.2 . 1 . . . . . 228 GLN C . 51084 1 242 . 1 . 1 56 56 GLN CA C 13 57.889 0.05 . 1 . . . . . 228 GLN CA . 51084 1 243 . 1 . 1 56 56 GLN CB C 13 28.561 0.2 . 1 . . . . . 228 GLN CB . 51084 1 244 . 1 . 1 56 56 GLN N N 15 121.849 0.04 . 1 . . . . . 228 GLN N . 51084 1 245 . 1 . 1 57 57 GLU H H 1 8.136 0.01 . 1 . . . . . 229 GLU H . 51084 1 246 . 1 . 1 57 57 GLU C C 13 176.772 0.01 . 1 . . . . . 229 GLU C . 51084 1 247 . 1 . 1 57 57 GLU CA C 13 58.056 0.01 . 1 . . . . . 229 GLU CA . 51084 1 248 . 1 . 1 57 57 GLU CB C 13 29.552 0.2 . 1 . . . . . 229 GLU CB . 51084 1 249 . 1 . 1 57 57 GLU N N 15 117.209 0.03 . 1 . . . . . 229 GLU N . 51084 1 250 . 1 . 1 58 58 ALA H H 1 7.666 0.01 . 1 . . . . . 230 ALA H . 51084 1 251 . 1 . 1 58 58 ALA C C 13 177.308 0.01 . 1 . . . . . 230 ALA C . 51084 1 252 . 1 . 1 58 58 ALA CA C 13 52.764 0.03 . 1 . . . . . 230 ALA CA . 51084 1 253 . 1 . 1 58 58 ALA CB C 13 19.783 0.2 . 1 . . . . . 230 ALA CB . 51084 1 254 . 1 . 1 58 58 ALA N N 15 121.319 0.01 . 1 . . . . . 230 ALA N . 51084 1 255 . 1 . 1 59 59 ASP H H 1 7.672 0.01 . 1 . . . . . 231 ASP H . 51084 1 256 . 1 . 1 59 59 ASP C C 13 173.74 0.2 . 1 . . . . . 231 ASP C . 51084 1 257 . 1 . 1 59 59 ASP CA C 13 51.835 0.2 . 1 . . . . . 231 ASP CA . 51084 1 258 . 1 . 1 59 59 ASP N N 15 118.352 0.02 . 1 . . . . . 231 ASP N . 51084 1 259 . 1 . 1 60 60 PRO C C 13 176.774 0.02 . 1 . . . . . 232 PRO C . 51084 1 260 . 1 . 1 60 60 PRO CA C 13 63.609 0.2 . 1 . . . . . 232 PRO CA . 51084 1 261 . 1 . 1 60 60 PRO CB C 13 32.299 0.2 . 1 . . . . . 232 PRO CB . 51084 1 262 . 1 . 1 61 61 GLY H H 1 7.818 0.01 . 1 . . . . . 233 GLY H . 51084 1 263 . 1 . 1 61 61 GLY C C 13 172.674 0.01 . 1 . . . . . 233 GLY C . 51084 1 264 . 1 . 1 61 61 GLY CA C 13 44.441 0.01 . 1 . . . . . 233 GLY CA . 51084 1 265 . 1 . 1 61 61 GLY N N 15 106.418 0.02 . 1 . . . . . 233 GLY N . 51084 1 266 . 1 . 1 62 62 GLU H H 1 7.764 0.01 . 1 . . . . . 234 GLU H . 51084 1 267 . 1 . 1 62 62 GLU C C 13 175.941 0.04 . 1 . . . . . 234 GLU C . 51084 1 268 . 1 . 1 62 62 GLU CA C 13 54.969 0.05 . 1 . . . . . 234 GLU CA . 51084 1 269 . 1 . 1 62 62 GLU CB C 13 33.866 0.2 . 1 . . . . . 234 GLU CB . 51084 1 270 . 1 . 1 62 62 GLU N N 15 118.922 0.02 . 1 . . . . . 234 GLU N . 51084 1 271 . 1 . 1 63 63 PHE H H 1 9.391 0.01 . 1 . . . . . 235 PHE H . 51084 1 272 . 1 . 1 63 63 PHE C C 13 177.477 0.03 . 1 . . . . . 235 PHE C . 51084 1 273 . 1 . 1 63 63 PHE CA C 13 60.849 0.2 . 1 . . . . . 235 PHE CA . 51084 1 274 . 1 . 1 63 63 PHE N N 15 126.973 0.04 . 1 . . . . . 235 PHE N . 51084 1 275 . 1 . 1 64 64 VAL H H 1 9.051 0.01 . 1 . . . . . 236 VAL H . 51084 1 276 . 1 . 1 64 64 VAL C C 13 173.924 0.2 . 1 . . . . . 236 VAL C . 51084 1 277 . 1 . 1 64 64 VAL CA C 13 62.392 0.2 . 1 . . . . . 236 VAL CA . 51084 1 278 . 1 . 1 64 64 VAL CB C 13 34.525 0.2 . 1 . . . . . 236 VAL CB . 51084 1 279 . 1 . 1 64 64 VAL N N 15 113.692 0.06 . 1 . . . . . 236 VAL N . 51084 1 280 . 1 . 1 65 65 ALA H H 1 7.478 0.01 . 1 . . . . . 237 ALA H . 51084 1 281 . 1 . 1 65 65 ALA C C 13 175.743 0.01 . 1 . . . . . 237 ALA C . 51084 1 282 . 1 . 1 65 65 ALA CA C 13 51.542 0.05 . 1 . . . . . 237 ALA CA . 51084 1 283 . 1 . 1 65 65 ALA CB C 13 23.948 0.2 . 1 . . . . . 237 ALA CB . 51084 1 284 . 1 . 1 65 65 ALA N N 15 119.725 0.01 . 1 . . . . . 237 ALA N . 51084 1 285 . 1 . 1 66 66 ILE H H 1 8.564 0.01 . 1 . . . . . 238 ILE H . 51084 1 286 . 1 . 1 66 66 ILE C C 13 175.322 0.03 . 1 . . . . . 238 ILE C . 51084 1 287 . 1 . 1 66 66 ILE CA C 13 59.744 0.09 . 1 . . . . . 238 ILE CA . 51084 1 288 . 1 . 1 66 66 ILE CB C 13 42.714 0.2 . 1 . . . . . 238 ILE CB . 51084 1 289 . 1 . 1 66 66 ILE N N 15 118.562 0.04 . 1 . . . . . 238 ILE N . 51084 1 290 . 1 . 1 67 67 CYS H H 1 8.938 0.01 . 1 . . . . . 239 CYS H . 51084 1 291 . 1 . 1 67 67 CYS C C 13 172.076 0.2 . 1 . . . . . 239 CYS C . 51084 1 292 . 1 . 1 67 67 CYS CA C 13 55.327 0.2 . 1 . . . . . 239 CYS CA . 51084 1 293 . 1 . 1 67 67 CYS N N 15 126.828 0.07 . 1 . . . . . 239 CYS N . 51084 1 294 . 1 . 1 69 69 LYS C C 13 175.17 0.03 . 1 . . . . . 241 LYS C . 51084 1 295 . 1 . 1 69 69 LYS CA C 13 55.307 0.03 . 1 . . . . . 241 LYS CA . 51084 1 296 . 1 . 1 69 69 LYS CB C 13 33.712 0 . 1 . . . . . 241 LYS CB . 51084 1 297 . 1 . 1 70 70 SER H H 1 8.317 0.01 . 1 . . . . . 242 SER H . 51084 1 298 . 1 . 1 70 70 SER C C 13 176.768 0 . 1 . . . . . 242 SER C . 51084 1 299 . 1 . 1 70 70 SER CA C 13 57.555 0.07 . 1 . . . . . 242 SER CA . 51084 1 300 . 1 . 1 70 70 SER CB C 13 63.699 0 . 1 . . . . . 242 SER CB . 51084 1 301 . 1 . 1 70 70 SER N N 15 120.446 0.05 . 1 . . . . . 242 SER N . 51084 1 302 . 1 . 1 71 71 GLY H H 1 9.085 0.01 . 1 . . . . . 243 GLY H . 51084 1 303 . 1 . 1 71 71 GLY C C 13 174.85 0.01 . 1 . . . . . 243 GLY C . 51084 1 304 . 1 . 1 71 71 GLY CA C 13 46.148 0.02 . 1 . . . . . 243 GLY CA . 51084 1 305 . 1 . 1 71 71 GLY N N 15 116.163 0.01 . 1 . . . . . 243 GLY N . 51084 1 306 . 1 . 1 72 72 THR H H 1 8.249 0.01 . 1 . . . . . 244 THR H . 51084 1 307 . 1 . 1 72 72 THR C C 13 176.362 0 . 1 . . . . . 244 THR C . 51084 1 308 . 1 . 1 72 72 THR CA C 13 63.747 0 . 1 . . . . . 244 THR CA . 51084 1 309 . 1 . 1 72 72 THR N N 15 112.688 0.03 . 1 . . . . . 244 THR N . 51084 1 310 . 1 . 1 73 73 THR C C 13 176.13 0.01 . 1 . . . . . 245 THR C . 51084 1 311 . 1 . 1 73 73 THR CA C 13 61.703 0.02 . 1 . . . . . 245 THR CA . 51084 1 312 . 1 . 1 73 73 THR CB C 13 70.597 0 . 1 . . . . . 245 THR CB . 51084 1 313 . 1 . 1 74 74 GLY H H 1 7.838 0.01 . 1 . . . . . 246 GLY H . 51084 1 314 . 1 . 1 74 74 GLY C C 13 173.474 0.01 . 1 . . . . . 246 GLY C . 51084 1 315 . 1 . 1 74 74 GLY CA C 13 45.896 0.03 . 1 . . . . . 246 GLY CA . 51084 1 316 . 1 . 1 74 74 GLY N N 15 109.815 0.06 . 1 . . . . . 246 GLY N . 51084 1 317 . 1 . 1 75 75 GLU H H 1 7.911 0.01 . 1 . . . . . 247 GLU H . 51084 1 318 . 1 . 1 75 75 GLU C C 13 176.382 0.01 . 1 . . . . . 247 GLU C . 51084 1 319 . 1 . 1 75 75 GLU CA C 13 55.85 0.04 . 1 . . . . . 247 GLU CA . 51084 1 320 . 1 . 1 75 75 GLU CB C 13 31.342 0 . 1 . . . . . 247 GLU CB . 51084 1 321 . 1 . 1 75 75 GLU N N 15 119.753 0.02 . 1 . . . . . 247 GLU N . 51084 1 322 . 1 . 1 76 76 SER H H 1 8.403 0.01 . 1 . . . . . 248 SER H . 51084 1 323 . 1 . 1 76 76 SER C C 13 172.967 0 . 1 . . . . . 248 SER C . 51084 1 324 . 1 . 1 76 76 SER CA C 13 57.938 0.06 . 1 . . . . . 248 SER CA . 51084 1 325 . 1 . 1 76 76 SER CB C 13 64.953 0 . 1 . . . . . 248 SER CB . 51084 1 326 . 1 . 1 76 76 SER N N 15 119.106 0.02 . 1 . . . . . 248 SER N . 51084 1 327 . 1 . 1 77 77 HIS H H 1 8.569 0.01 . 1 . . . . . 249 HIS H . 51084 1 328 . 1 . 1 77 77 HIS C C 13 173.845 0.2 . 1 . . . . . 249 HIS C . 51084 1 329 . 1 . 1 77 77 HIS CA C 13 54.947 0.03 . 1 . . . . . 249 HIS CA . 51084 1 330 . 1 . 1 77 77 HIS CB C 13 31.519 0.2 . 1 . . . . . 249 HIS CB . 51084 1 331 . 1 . 1 77 77 HIS N N 15 119.073 0.02 . 1 . . . . . 249 HIS N . 51084 1 332 . 1 . 1 78 78 TRP H H 1 8.429 0.01 . 1 . . . . . 250 TRP H . 51084 1 333 . 1 . 1 78 78 TRP C C 13 176.268 0.2 . 1 . . . . . 250 TRP C . 51084 1 334 . 1 . 1 78 78 TRP CA C 13 57.894 0.2 . 1 . . . . . 250 TRP CA . 51084 1 335 . 1 . 1 78 78 TRP N N 15 123.628 0.03 . 1 . . . . . 250 TRP N . 51084 1 336 . 1 . 1 80 80 TYR C C 13 178.796 0.2 . 1 . . . . . 252 TYR C . 51084 1 337 . 1 . 1 80 80 TYR CA C 13 57.935 0.02 . 1 . . . . . 252 TYR CA . 51084 1 338 . 1 . 1 80 80 TYR CB C 13 41.587 0.2 . 1 . . . . . 252 TYR CB . 51084 1 339 . 1 . 1 81 81 TYR H H 1 7.357 0.01 . 1 . . . . . 253 TYR H . 51084 1 340 . 1 . 1 81 81 TYR C C 13 175.062 0.01 . 1 . . . . . 253 TYR C . 51084 1 341 . 1 . 1 81 81 TYR CA C 13 58.291 0.02 . 1 . . . . . 253 TYR CA . 51084 1 342 . 1 . 1 81 81 TYR CB C 13 39.144 0.2 . 1 . . . . . 253 TYR CB . 51084 1 343 . 1 . 1 81 81 TYR N N 15 121.876 0.03 . 1 . . . . . 253 TYR N . 51084 1 344 . 1 . 1 82 82 LYS H H 1 8.385 0.01 . 1 . . . . . 254 LYS H . 51084 1 345 . 1 . 1 82 82 LYS C C 13 176.765 0.03 . 1 . . . . . 254 LYS C . 51084 1 346 . 1 . 1 82 82 LYS CA C 13 58.303 0.03 . 1 . . . . . 254 LYS CA . 51084 1 347 . 1 . 1 82 82 LYS CB C 13 33.133 0.2 . 1 . . . . . 254 LYS CB . 51084 1 348 . 1 . 1 82 82 LYS N N 15 120.137 0.05 . 1 . . . . . 254 LYS N . 51084 1 349 . 1 . 1 83 83 ASN H H 1 8.531 0.01 . 1 . . . . . 255 ASN H . 51084 1 350 . 1 . 1 83 83 ASN C C 13 174.007 0.01 . 1 . . . . . 255 ASN C . 51084 1 351 . 1 . 1 83 83 ASN CA C 13 52.673 0.07 . 1 . . . . . 255 ASN CA . 51084 1 352 . 1 . 1 83 83 ASN CB C 13 38.551 0.2 . 1 . . . . . 255 ASN CB . 51084 1 353 . 1 . 1 83 83 ASN N N 15 115.671 0.04 . 1 . . . . . 255 ASN N . 51084 1 354 . 1 . 1 84 84 ILE H H 1 8.107 0.01 . 1 . . . . . 256 ILE H . 51084 1 355 . 1 . 1 84 84 ILE C C 13 176.305 0.2 . 1 . . . . . 256 ILE C . 51084 1 356 . 1 . 1 84 84 ILE CA C 13 60.098 0.01 . 1 . . . . . 256 ILE CA . 51084 1 357 . 1 . 1 84 84 ILE N N 15 124.503 0.03 . 1 . . . . . 256 ILE N . 51084 1 358 . 1 . 1 85 85 GLY H H 1 10.025 0.02 . 1 . . . . . 257 GLY H . 51084 1 359 . 1 . 1 85 85 GLY C C 13 173.183 0.01 . 1 . . . . . 257 GLY C . 51084 1 360 . 1 . 1 85 85 GLY CA C 13 44.699 0.01 . 1 . . . . . 257 GLY CA . 51084 1 361 . 1 . 1 85 85 GLY N N 15 117.892 0.04 . 1 . . . . . 257 GLY N . 51084 1 362 . 1 . 1 86 86 LYS H H 1 8.215 0.01 . 1 . . . . . 258 LYS H . 51084 1 363 . 1 . 1 86 86 LYS C C 13 176.932 0.01 . 1 . . . . . 258 LYS C . 51084 1 364 . 1 . 1 86 86 LYS CA C 13 55.157 0.2 . 1 . . . . . 258 LYS CA . 51084 1 365 . 1 . 1 86 86 LYS CB C 13 34.776 0.2 . 1 . . . . . 258 LYS CB . 51084 1 366 . 1 . 1 86 86 LYS N N 15 119.975 0.01 . 1 . . . . . 258 LYS N . 51084 1 367 . 1 . 1 87 87 CYS H H 1 8.777 0.01 . 1 . . . . . 259 CYS H . 51084 1 368 . 1 . 1 87 87 CYS C C 13 172.493 0.2 . 1 . . . . . 259 CYS C . 51084 1 369 . 1 . 1 87 87 CYS CA C 13 53.351 0.2 . 1 . . . . . 259 CYS CA . 51084 1 370 . 1 . 1 87 87 CYS N N 15 122.225 0.04 . 1 . . . . . 259 CYS N . 51084 1 371 . 1 . 1 88 88 PRO C C 13 175.387 0.2 . 1 . . . . . 260 PRO C . 51084 1 372 . 1 . 1 88 88 PRO CA C 13 62.43 0.02 . 1 . . . . . 260 PRO CA . 51084 1 373 . 1 . 1 88 88 PRO CB C 13 31.895 0.2 . 1 . . . . . 260 PRO CB . 51084 1 374 . 1 . 1 89 89 ASP H H 1 8.219 0.01 . 1 . . . . . 261 ASP H . 51084 1 375 . 1 . 1 89 89 ASP C C 13 173.929 0.2 . 1 . . . . . 261 ASP C . 51084 1 376 . 1 . 1 89 89 ASP CA C 13 52.975 0.2 . 1 . . . . . 261 ASP CA . 51084 1 377 . 1 . 1 89 89 ASP N N 15 121.937 0.01 . 1 . . . . . 261 ASP N . 51084 1 378 . 1 . 1 90 90 PRO N N 15 121.937 0.01 . 1 . . . . . 262 PRO N . 51084 1 stop_ save_