################################### # 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 51836 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone (1HN, 15N, 13C ) chemical shift assignments for VirB9 C-terminal domain' _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' . . . 51836 1 2 '3D CBCA(CO)NH' . . . 51836 1 3 '3D HNCACB' . . . 51836 1 4 '3D C(CO)NH' . . . 51836 1 5 '3D HNCO' . . . 51836 1 6 '3D HN(CA)CO' . . . 51836 1 7 '3D HNCA' . . . 51836 1 8 '3D HN(CO)CA' . . . 51836 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 . . 51836 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 1 1 GLY C C 13 170.182 0.006 . 1 . . . . . 150 GLY C . 51836 1 2 . 1 . 1 1 1 GLY CA C 13 43.225 0.023 . 1 . . . . . 150 GLY CA . 51836 1 3 . 1 . 1 2 2 SER H H 1 8.736 0.002 . 1 . . . . . 151 SER H . 51836 1 4 . 1 . 1 2 2 SER C C 13 174.401 0.022 . 1 . . . . . 151 SER C . 51836 1 5 . 1 . 1 2 2 SER CA C 13 58.271 0.022 . 1 . . . . . 151 SER CA . 51836 1 6 . 1 . 1 2 2 SER CB C 13 64.143 0.000 . 1 . . . . . 151 SER CB . 51836 1 7 . 1 . 1 2 2 SER N N 15 115.537 0.011 . 1 . . . . . 151 SER N . 51836 1 8 . 1 . 1 3 3 HIS H H 1 8.826 0.002 . 1 . . . . . 152 HIS H . 51836 1 9 . 1 . 1 3 3 HIS C C 13 174.449 0.007 . 1 . . . . . 152 HIS C . 51836 1 10 . 1 . 1 3 3 HIS CA C 13 55.499 0.025 . 1 . . . . . 152 HIS CA . 51836 1 11 . 1 . 1 3 3 HIS CB C 13 28.849 0.024 . 1 . . . . . 152 HIS CB . 51836 1 12 . 1 . 1 3 3 HIS N N 15 120.960 0.015 . 1 . . . . . 152 HIS N . 51836 1 13 . 1 . 1 4 4 MET H H 1 8.536 0.002 . 1 . . . . . 153 MET H . 51836 1 14 . 1 . 1 4 4 MET C C 13 175.804 0.015 . 1 . . . . . 153 MET C . 51836 1 15 . 1 . 1 4 4 MET CA C 13 55.534 0.020 . 1 . . . . . 153 MET CA . 51836 1 16 . 1 . 1 4 4 MET CB C 13 32.456 0.058 . 1 . . . . . 153 MET CB . 51836 1 17 . 1 . 1 4 4 MET N N 15 122.163 0.012 . 1 . . . . . 153 MET N . 51836 1 18 . 1 . 1 5 5 ASN H H 1 8.624 0.002 . 1 . . . . . 154 ASN H . 51836 1 19 . 1 . 1 5 5 ASN C C 13 174.889 0.011 . 1 . . . . . 154 ASN C . 51836 1 20 . 1 . 1 5 5 ASN CA C 13 55.732 0.000 . 1 . . . . . 154 ASN CA . 51836 1 21 . 1 . 1 5 5 ASN CB C 13 38.636 0.035 . 1 . . . . . 154 ASN CB . 51836 1 22 . 1 . 1 5 5 ASN N N 15 120.877 0.011 . 1 . . . . . 154 ASN N . 51836 1 23 . 1 . 1 6 6 ALA H H 1 8.370 0.001 . 1 . . . . . 155 ALA H . 51836 1 24 . 1 . 1 6 6 ALA C C 13 177.723 0.005 . 1 . . . . . 155 ALA C . 51836 1 25 . 1 . 1 6 6 ALA CA C 13 52.715 0.023 . 1 . . . . . 155 ALA CA . 51836 1 26 . 1 . 1 6 6 ALA CB C 13 19.144 0.000 . 1 . . . . . 155 ALA CB . 51836 1 27 . 1 . 1 6 6 ALA N N 15 124.861 0.011 . 1 . . . . . 155 ALA N . 51836 1 28 . 1 . 1 7 7 LYS H H 1 8.353 0.001 . 1 . . . . . 156 LYS H . 51836 1 29 . 1 . 1 7 7 LYS C C 13 176.574 0.031 . 1 . . . . . 156 LYS C . 51836 1 30 . 1 . 1 7 7 LYS CA C 13 56.537 0.013 . 1 . . . . . 156 LYS CA . 51836 1 31 . 1 . 1 7 7 LYS CB C 13 32.697 0.018 . 1 . . . . . 156 LYS CB . 51836 1 32 . 1 . 1 7 7 LYS N N 15 120.799 0.010 . 1 . . . . . 156 LYS N . 51836 1 33 . 1 . 1 8 8 ILE H H 1 8.164 0.001 . 1 . . . . . 157 ILE H . 51836 1 34 . 1 . 1 8 8 ILE C C 13 176.238 0.030 . 1 . . . . . 157 ILE C . 51836 1 35 . 1 . 1 8 8 ILE CA C 13 61.085 0.009 . 1 . . . . . 157 ILE CA . 51836 1 36 . 1 . 1 8 8 ILE CB C 13 38.246 0.049 . 1 . . . . . 157 ILE CB . 51836 1 37 . 1 . 1 8 8 ILE N N 15 122.626 0.012 . 1 . . . . . 157 ILE N . 51836 1 38 . 1 . 1 9 9 LEU H H 1 8.394 0.002 . 1 . . . . . 158 LEU H . 51836 1 39 . 1 . 1 9 9 LEU C C 13 177.124 0.032 . 1 . . . . . 158 LEU C . 51836 1 40 . 1 . 1 9 9 LEU CA C 13 54.989 0.017 . 1 . . . . . 158 LEU CA . 51836 1 41 . 1 . 1 9 9 LEU CB C 13 42.082 0.017 . 1 . . . . . 158 LEU CB . 51836 1 42 . 1 . 1 9 9 LEU N N 15 127.238 0.017 . 1 . . . . . 158 LEU N . 51836 1 43 . 1 . 1 10 10 LYS H H 1 8.325 0.001 . 1 . . . . . 159 LYS H . 51836 1 44 . 1 . 1 10 10 LYS C C 13 176.156 0.018 . 1 . . . . . 159 LYS C . 51836 1 45 . 1 . 1 10 10 LYS CA C 13 56.413 0.064 . 1 . . . . . 159 LYS CA . 51836 1 46 . 1 . 1 10 10 LYS CB C 13 32.893 0.039 . 1 . . . . . 159 LYS CB . 51836 1 47 . 1 . 1 10 10 LYS N N 15 122.400 0.018 . 1 . . . . . 159 LYS N . 51836 1 48 . 1 . 1 11 11 ASP H H 1 8.346 0.002 . 1 . . . . . 160 ASP H . 51836 1 49 . 1 . 1 11 11 ASP C C 13 175.811 0.028 . 1 . . . . . 160 ASP C . 51836 1 50 . 1 . 1 11 11 ASP CA C 13 56.617 0.000 . 1 . . . . . 160 ASP CA . 51836 1 51 . 1 . 1 11 11 ASP CB C 13 40.876 0.053 . 1 . . . . . 160 ASP CB . 51836 1 52 . 1 . 1 11 11 ASP N N 15 121.398 0.031 . 1 . . . . . 160 ASP N . 51836 1 53 . 1 . 1 12 12 ARG H H 1 8.310 0.002 . 1 . . . . . 161 ARG H . 51836 1 54 . 1 . 1 12 12 ARG C C 13 175.334 0.000 . 1 . . . . . 161 ARG C . 51836 1 55 . 1 . 1 12 12 ARG CA C 13 56.238 0.000 . 1 . . . . . 161 ARG CA . 51836 1 56 . 1 . 1 12 12 ARG CB C 13 30.534 0.000 . 1 . . . . . 161 ARG CB . 51836 1 57 . 1 . 1 12 12 ARG N N 15 121.938 0.043 . 1 . . . . . 161 ARG N . 51836 1 58 . 1 . 1 21 21 ALA C C 13 178.238 0.028 . 1 . . . . . 170 ALA C . 51836 1 59 . 1 . 1 21 21 ALA CA C 13 53.206 0.000 . 1 . . . . . 170 ALA CA . 51836 1 60 . 1 . 1 21 21 ALA CB C 13 19.002 0.071 . 1 . . . . . 170 ALA CB . 51836 1 61 . 1 . 1 22 22 THR H H 1 7.939 0.003 . 1 . . . . . 171 THR H . 51836 1 62 . 1 . 1 22 22 THR C C 13 174.502 0.000 . 1 . . . . . 171 THR C . 51836 1 63 . 1 . 1 22 22 THR CA C 13 62.492 0.011 . 1 . . . . . 171 THR CA . 51836 1 64 . 1 . 1 22 22 THR CB C 13 69.538 0.085 . 1 . . . . . 171 THR CB . 51836 1 65 . 1 . 1 22 22 THR N N 15 113.677 0.022 . 1 . . . . . 171 THR N . 51836 1 66 . 1 . 1 23 23 ARG H H 1 8.358 0.002 . 1 . . . . . 172 ARG H . 51836 1 67 . 1 . 1 23 23 ARG C C 13 176.368 0.009 . 1 . . . . . 172 ARG C . 51836 1 68 . 1 . 1 23 23 ARG CA C 13 56.755 0.120 . 1 . . . . . 172 ARG CA . 51836 1 69 . 1 . 1 23 23 ARG CB C 13 30.286 0.090 . 1 . . . . . 172 ARG CB . 51836 1 70 . 1 . 1 23 23 ARG N N 15 123.407 0.061 . 1 . . . . . 172 ARG N . 51836 1 71 . 1 . 1 24 24 THR H H 1 8.063 0.002 . 1 . . . . . 173 THR H . 51836 1 72 . 1 . 1 24 24 THR C C 13 174.147 0.051 . 1 . . . . . 173 THR C . 51836 1 73 . 1 . 1 24 24 THR CA C 13 61.804 0.093 . 1 . . . . . 173 THR CA . 51836 1 74 . 1 . 1 24 24 THR CB C 13 69.984 0.031 . 1 . . . . . 173 THR CB . 51836 1 75 . 1 . 1 24 24 THR N N 15 114.655 0.020 . 1 . . . . . 173 THR N . 51836 1 76 . 1 . 1 25 25 LYS H H 1 8.382 0.005 . 1 . . . . . 174 LYS H . 51836 1 77 . 1 . 1 25 25 LYS C C 13 176.362 0.000 . 1 . . . . . 174 LYS C . 51836 1 78 . 1 . 1 25 25 LYS CA C 13 56.251 0.000 . 1 . . . . . 174 LYS CA . 51836 1 79 . 1 . 1 25 25 LYS CB C 13 32.819 0.000 . 1 . . . . . 174 LYS CB . 51836 1 80 . 1 . 1 25 25 LYS N N 15 123.925 0.047 . 1 . . . . . 174 LYS N . 51836 1 81 . 1 . 1 26 26 LYS C C 13 176.539 0.000 . 1 . . . . . 175 LYS C . 51836 1 82 . 1 . 1 26 26 LYS CA C 13 56.362 0.048 . 1 . . . . . 175 LYS CA . 51836 1 83 . 1 . 1 26 26 LYS CB C 13 32.565 0.000 . 1 . . . . . 175 LYS CB . 51836 1 84 . 1 . 1 27 27 SER H H 1 8.383 0.004 . 1 . . . . . 176 SER H . 51836 1 85 . 1 . 1 27 27 SER CA C 13 58.585 0.000 . 1 . . . . . 176 SER CA . 51836 1 86 . 1 . 1 27 27 SER CB C 13 63.922 0.000 . 1 . . . . . 176 SER CB . 51836 1 87 . 1 . 1 27 27 SER N N 15 116.228 0.024 . 1 . . . . . 176 SER N . 51836 1 88 . 1 . 1 36 36 ASP C C 13 174.484 0.001 . 1 . . . . . 185 ASP C . 51836 1 89 . 1 . 1 36 36 ASP CA C 13 53.312 0.074 . 1 . . . . . 185 ASP CA . 51836 1 90 . 1 . 1 36 36 ASP CB C 13 47.473 0.000 . 1 . . . . . 185 ASP CB . 51836 1 91 . 1 . 1 37 37 ASP H H 1 8.719 0.003 . 1 . . . . . 186 ASP H . 51836 1 92 . 1 . 1 37 37 ASP C C 13 178.619 0.008 . 1 . . . . . 186 ASP C . 51836 1 93 . 1 . 1 37 37 ASP CA C 13 51.703 0.000 . 1 . . . . . 186 ASP CA . 51836 1 94 . 1 . 1 37 37 ASP CB C 13 42.445 0.043 . 1 . . . . . 186 ASP CB . 51836 1 95 . 1 . 1 37 37 ASP N N 15 119.815 0.010 . 1 . . . . . 186 ASP N . 51836 1 96 . 1 . 1 38 38 GLY H H 1 10.103 0.006 . 1 . . . . . 187 GLY H . 51836 1 97 . 1 . 1 38 38 GLY C C 13 172.964 0.010 . 1 . . . . . 187 GLY C . 51836 1 98 . 1 . 1 38 38 GLY CA C 13 52.044 0.000 . 1 . . . . . 187 GLY CA . 51836 1 99 . 1 . 1 38 38 GLY N N 15 111.455 0.019 . 1 . . . . . 187 GLY N . 51836 1 100 . 1 . 1 39 39 LYS H H 1 8.557 0.001 . 1 . . . . . 188 LYS H . 51836 1 101 . 1 . 1 39 39 LYS C C 13 174.825 0.046 . 1 . . . . . 188 LYS C . 51836 1 102 . 1 . 1 39 39 LYS CA C 13 57.929 0.003 . 1 . . . . . 188 LYS CA . 51836 1 103 . 1 . 1 39 39 LYS CB C 13 34.405 0.071 . 1 . . . . . 188 LYS CB . 51836 1 104 . 1 . 1 39 39 LYS N N 15 122.392 0.016 . 1 . . . . . 188 LYS N . 51836 1 105 . 1 . 1 40 40 PHE H H 1 9.454 0.002 . 1 . . . . . 189 PHE H . 51836 1 106 . 1 . 1 40 40 PHE C C 13 174.225 0.013 . 1 . . . . . 189 PHE C . 51836 1 107 . 1 . 1 40 40 PHE CA C 13 53.578 0.019 . 1 . . . . . 189 PHE CA . 51836 1 108 . 1 . 1 40 40 PHE CB C 13 40.801 0.026 . 1 . . . . . 189 PHE CB . 51836 1 109 . 1 . 1 40 40 PHE N N 15 119.946 0.020 . 1 . . . . . 189 PHE N . 51836 1 110 . 1 . 1 41 41 THR H H 1 8.458 0.003 . 1 . . . . . 190 THR H . 51836 1 111 . 1 . 1 41 41 THR C C 13 171.430 0.005 . 1 . . . . . 190 THR C . 51836 1 112 . 1 . 1 41 41 THR CA C 13 61.953 0.018 . 1 . . . . . 190 THR CA . 51836 1 113 . 1 . 1 41 41 THR CB C 13 69.917 0.065 . 1 . . . . . 190 THR CB . 51836 1 114 . 1 . 1 41 41 THR N N 15 113.650 0.013 . 1 . . . . . 190 THR N . 51836 1 115 . 1 . 1 42 42 TYR H H 1 9.137 0.008 . 1 . . . . . 191 TYR H . 51836 1 116 . 1 . 1 42 42 TYR C C 13 174.485 0.001 . 1 . . . . . 191 TYR C . 51836 1 117 . 1 . 1 42 42 TYR CA C 13 56.762 0.000 . 1 . . . . . 191 TYR CA . 51836 1 118 . 1 . 1 42 42 TYR CB C 13 39.118 0.040 . 1 . . . . . 191 TYR CB . 51836 1 119 . 1 . 1 42 42 TYR N N 15 125.710 0.066 . 1 . . . . . 191 TYR N . 51836 1 120 . 1 . 1 43 43 ILE H H 1 9.144 0.002 . 1 . . . . . 192 ILE H . 51836 1 121 . 1 . 1 43 43 ILE CA C 13 60.411 0.000 . 1 . . . . . 192 ILE CA . 51836 1 122 . 1 . 1 43 43 ILE CB C 13 39.322 0.000 . 1 . . . . . 192 ILE CB . 51836 1 123 . 1 . 1 43 43 ILE N N 15 123.139 0.022 . 1 . . . . . 192 ILE N . 51836 1 124 . 1 . 1 47 47 LEU C C 13 178.771 0.011 . 1 . . . . . 196 LEU C . 51836 1 125 . 1 . 1 47 47 LEU CA C 13 56.183 0.043 . 1 . . . . . 196 LEU CA . 51836 1 126 . 1 . 1 47 47 LEU CB C 13 40.704 0.000 . 1 . . . . . 196 LEU CB . 51836 1 127 . 1 . 1 48 48 THR H H 1 8.272 0.003 . 1 . . . . . 197 THR H . 51836 1 128 . 1 . 1 48 48 THR C C 13 175.610 0.000 . 1 . . . . . 197 THR C . 51836 1 129 . 1 . 1 48 48 THR CA C 13 64.195 0.000 . 1 . . . . . 197 THR CA . 51836 1 130 . 1 . 1 48 48 THR CB C 13 69.125 0.000 . 1 . . . . . 197 THR CB . 51836 1 131 . 1 . 1 48 48 THR N N 15 112.031 0.053 . 1 . . . . . 197 THR N . 51836 1 132 . 1 . 1 51 51 PRO C C 13 177.187 0.002 . 1 . . . . . 200 PRO C . 51836 1 133 . 1 . 1 51 51 PRO CA C 13 31.972 0.000 . 1 . . . . . 200 PRO CA . 51836 1 134 . 1 . 1 51 51 PRO CB C 13 31.803 0.004 . 1 . . . . . 200 PRO CB . 51836 1 135 . 1 . 1 52 52 THR H H 1 8.197 0.002 . 1 . . . . . 201 THR H . 51836 1 136 . 1 . 1 52 52 THR C C 13 175.569 0.034 . 1 . . . . . 201 THR C . 51836 1 137 . 1 . 1 52 52 THR CA C 13 62.911 0.149 . 1 . . . . . 201 THR CA . 51836 1 138 . 1 . 1 52 52 THR CB C 13 69.106 0.070 . 1 . . . . . 201 THR CB . 51836 1 139 . 1 . 1 52 52 THR N N 15 113.099 0.024 . 1 . . . . . 201 THR N . 51836 1 140 . 1 . 1 53 53 GLY H H 1 8.349 0.005 . 1 . . . . . 202 GLY H . 51836 1 141 . 1 . 1 53 53 GLY C C 13 173.509 0.042 . 1 . . . . . 202 GLY C . 51836 1 142 . 1 . 1 53 53 GLY CA C 13 45.360 0.061 . 1 . . . . . 202 GLY CA . 51836 1 143 . 1 . 1 53 53 GLY N N 15 111.662 0.025 . 1 . . . . . 202 GLY N . 51836 1 144 . 1 . 1 54 54 ASN H H 1 8.162 0.001 . 1 . . . . . 203 ASN H . 51836 1 145 . 1 . 1 54 54 ASN C C 13 173.613 0.010 . 1 . . . . . 203 ASN C . 51836 1 146 . 1 . 1 54 54 ASN CA C 13 51.986 0.045 . 1 . . . . . 203 ASN CA . 51836 1 147 . 1 . 1 54 54 ASN CB C 13 38.257 0.008 . 1 . . . . . 203 ASN CB . 51836 1 148 . 1 . 1 54 54 ASN N N 15 119.764 0.011 . 1 . . . . . 203 ASN N . 51836 1 149 . 1 . 1 55 55 PHE H H 1 7.889 0.003 . 1 . . . . . 204 PHE H . 51836 1 150 . 1 . 1 55 55 PHE CA C 13 56.201 0.000 . 1 . . . . . 204 PHE CA . 51836 1 151 . 1 . 1 55 55 PHE CB C 13 36.833 0.000 . 1 . . . . . 204 PHE CB . 51836 1 152 . 1 . 1 55 55 PHE N N 15 119.336 0.011 . 1 . . . . . 204 PHE N . 51836 1 153 . 1 . 1 56 56 PRO C C 13 173.354 0.010 . 1 . . . . . 205 PRO C . 51836 1 154 . 1 . 1 56 56 PRO CA C 13 63.425 0.000 . 1 . . . . . 205 PRO CA . 51836 1 155 . 1 . 1 56 56 PRO CB C 13 32.457 0.050 . 1 . . . . . 205 PRO CB . 51836 1 156 . 1 . 1 57 57 ALA H H 1 8.579 0.002 . 1 . . . . . 206 ALA H . 51836 1 157 . 1 . 1 57 57 ALA C C 13 175.538 0.000 . 1 . . . . . 206 ALA C . 51836 1 158 . 1 . 1 57 57 ALA CA C 13 50.894 0.009 . 1 . . . . . 206 ALA CA . 51836 1 159 . 1 . 1 57 57 ALA CB C 13 21.574 0.000 . 1 . . . . . 206 ALA CB . 51836 1 160 . 1 . 1 57 57 ALA N N 15 124.395 0.014 . 1 . . . . . 206 ALA N . 51836 1 161 . 1 . 1 58 58 VAL C C 13 172.606 0.000 . 1 . . . . . 207 VAL C . 51836 1 162 . 1 . 1 58 58 VAL CA C 13 61.481 0.000 . 1 . . . . . 207 VAL CA . 51836 1 163 . 1 . 1 58 58 VAL CB C 13 32.511 0.024 . 1 . . . . . 207 VAL CB . 51836 1 164 . 1 . 1 59 59 PHE H H 1 9.337 0.002 . 1 . . . . . 208 PHE H . 51836 1 165 . 1 . 1 59 59 PHE C C 13 173.867 0.048 . 1 . . . . . 208 PHE C . 51836 1 166 . 1 . 1 59 59 PHE CA C 13 54.655 0.021 . 1 . . . . . 208 PHE CA . 51836 1 167 . 1 . 1 59 59 PHE CB C 13 42.377 0.072 . 1 . . . . . 208 PHE CB . 51836 1 168 . 1 . 1 59 59 PHE N N 15 124.385 0.017 . 1 . . . . . 208 PHE N . 51836 1 169 . 1 . 1 60 60 ALA H H 1 8.753 0.002 . 1 . . . . . 209 ALA H . 51836 1 170 . 1 . 1 60 60 ALA C C 13 174.414 0.010 . 1 . . . . . 209 ALA C . 51836 1 171 . 1 . 1 60 60 ALA CA C 13 49.884 0.062 . 1 . . . . . 209 ALA CA . 51836 1 172 . 1 . 1 60 60 ALA CB C 13 24.627 0.081 . 1 . . . . . 209 ALA CB . 51836 1 173 . 1 . 1 60 60 ALA N N 15 122.612 0.020 . 1 . . . . . 209 ALA N . 51836 1 174 . 1 . 1 61 61 ARG H H 1 7.406 0.002 . 1 . . . . . 210 ARG H . 51836 1 175 . 1 . 1 61 61 ARG C C 13 176.200 0.030 . 1 . . . . . 210 ARG C . 51836 1 176 . 1 . 1 61 61 ARG CA C 13 55.082 0.041 . 1 . . . . . 210 ARG CA . 51836 1 177 . 1 . 1 61 61 ARG CB C 13 33.846 0.064 . 1 . . . . . 210 ARG CB . 51836 1 178 . 1 . 1 61 61 ARG N N 15 109.577 0.040 . 1 . . . . . 210 ARG N . 51836 1 179 . 1 . 1 62 62 GLU H H 1 9.307 0.002 . 1 . . . . . 211 GLU H . 51836 1 180 . 1 . 1 62 62 GLU C C 13 176.251 0.047 . 1 . . . . . 211 GLU C . 51836 1 181 . 1 . 1 62 62 GLU CA C 13 57.130 0.036 . 1 . . . . . 211 GLU CA . 51836 1 182 . 1 . 1 62 62 GLU CB C 13 30.887 0.057 . 1 . . . . . 211 GLU CB . 51836 1 183 . 1 . 1 62 62 GLU N N 15 116.083 0.033 . 1 . . . . . 211 GLU N . 51836 1 184 . 1 . 1 63 63 LYS H H 1 7.402 0.003 . 1 . . . . . 212 LYS H . 51836 1 185 . 1 . 1 63 63 LYS C C 13 175.537 0.013 . 1 . . . . . 212 LYS C . 51836 1 186 . 1 . 1 63 63 LYS CA C 13 36.129 0.098 . 1 . . . . . 212 LYS CA . 51836 1 187 . 1 . 1 63 63 LYS N N 15 114.590 0.036 . 1 . . . . . 212 LYS N . 51836 1 188 . 1 . 1 64 64 GLU H H 1 8.775 0.002 . 1 . . . . . 213 GLU H . 51836 1 189 . 1 . 1 64 64 GLU C C 13 176.914 0.004 . 1 . . . . . 213 GLU C . 51836 1 190 . 1 . 1 64 64 GLU CA C 13 59.686 0.099 . 1 . . . . . 213 GLU CA . 51836 1 191 . 1 . 1 64 64 GLU CB C 13 29.425 0.031 . 1 . . . . . 213 GLU CB . 51836 1 192 . 1 . 1 64 64 GLU N N 15 121.517 0.026 . 1 . . . . . 213 GLU N . 51836 1 193 . 1 . 1 65 65 HIS H H 1 8.639 0.002 . 1 . . . . . 214 HIS H . 51836 1 194 . 1 . 1 65 65 HIS C C 13 173.533 0.016 . 1 . . . . . 214 HIS C . 51836 1 195 . 1 . 1 65 65 HIS CA C 13 59.661 0.000 . 1 . . . . . 214 HIS CA . 51836 1 196 . 1 . 1 65 65 HIS CB C 13 27.559 0.076 . 1 . . . . . 214 HIS CB . 51836 1 197 . 1 . 1 65 65 HIS N N 15 113.863 0.014 . 1 . . . . . 214 HIS N . 51836 1 198 . 1 . 1 66 66 ALA H H 1 7.234 0.001 . 1 . . . . . 215 ALA H . 51836 1 199 . 1 . 1 66 66 ALA C C 13 175.424 0.035 . 1 . . . . . 215 ALA C . 51836 1 200 . 1 . 1 66 66 ALA CA C 13 54.525 0.000 . 1 . . . . . 215 ALA CA . 51836 1 201 . 1 . 1 66 66 ALA CB C 13 21.440 0.081 . 1 . . . . . 215 ALA CB . 51836 1 202 . 1 . 1 66 66 ALA N N 15 122.914 0.015 . 1 . . . . . 215 ALA N . 51836 1 203 . 1 . 1 67 67 GLU H H 1 8.420 0.001 . 1 . . . . . 216 GLU H . 51836 1 204 . 1 . 1 67 67 GLU C C 13 175.988 0.094 . 1 . . . . . 216 GLU C . 51836 1 205 . 1 . 1 67 67 GLU CA C 13 56.558 0.017 . 1 . . . . . 216 GLU CA . 51836 1 206 . 1 . 1 67 67 GLU CB C 13 30.057 0.039 . 1 . . . . . 216 GLU CB . 51836 1 207 . 1 . 1 67 67 GLU N N 15 118.455 0.009 . 1 . . . . . 216 GLU N . 51836 1 208 . 1 . 1 68 68 ASP H H 1 8.335 0.004 . 1 . . . . . 217 ASP H . 51836 1 209 . 1 . 1 68 68 ASP C C 13 176.731 0.033 . 1 . . . . . 217 ASP C . 51836 1 210 . 1 . 1 68 68 ASP CA C 13 53.665 0.015 . 1 . . . . . 217 ASP CA . 51836 1 211 . 1 . 1 68 68 ASP CB C 13 42.043 0.000 . 1 . . . . . 217 ASP CB . 51836 1 212 . 1 . 1 68 68 ASP N N 15 122.345 0.015 . 1 . . . . . 217 ASP N . 51836 1 213 . 1 . 1 69 69 PHE H H 1 8.997 0.002 . 1 . . . . . 218 PHE H . 51836 1 214 . 1 . 1 69 69 PHE C C 13 173.725 0.020 . 1 . . . . . 218 PHE C . 51836 1 215 . 1 . 1 69 69 PHE CA C 13 55.077 0.062 . 1 . . . . . 218 PHE CA . 51836 1 216 . 1 . 1 69 69 PHE CB C 13 41.363 0.081 . 1 . . . . . 218 PHE CB . 51836 1 217 . 1 . 1 69 69 PHE N N 15 117.478 0.028 . 1 . . . . . 218 PHE N . 51836 1 218 . 1 . 1 70 70 LEU H H 1 8.733 0.002 . 1 . . . . . 219 LEU H . 51836 1 219 . 1 . 1 70 70 LEU C C 13 177.295 0.019 . 1 . . . . . 219 LEU C . 51836 1 220 . 1 . 1 70 70 LEU CA C 13 56.092 0.060 . 1 . . . . . 219 LEU CA . 51836 1 221 . 1 . 1 70 70 LEU CB C 13 42.908 0.073 . 1 . . . . . 219 LEU CB . 51836 1 222 . 1 . 1 70 70 LEU N N 15 124.556 0.012 . 1 . . . . . 219 LEU N . 51836 1 223 . 1 . 1 71 71 VAL H H 1 8.079 0.003 . 1 . . . . . 220 VAL H . 51836 1 224 . 1 . 1 71 71 VAL C C 13 174.538 0.018 . 1 . . . . . 220 VAL C . 51836 1 225 . 1 . 1 71 71 VAL CA C 13 59.303 0.025 . 1 . . . . . 220 VAL CA . 51836 1 226 . 1 . 1 71 71 VAL CB C 13 33.571 0.000 . 1 . . . . . 220 VAL CB . 51836 1 227 . 1 . 1 71 71 VAL N N 15 119.381 0.038 . 1 . . . . . 220 VAL N . 51836 1 228 . 1 . 1 72 72 ASN H H 1 8.574 0.002 . 1 . . . . . 221 ASN H . 51836 1 229 . 1 . 1 72 72 ASN C C 13 175.075 0.038 . 1 . . . . . 221 ASN C . 51836 1 230 . 1 . 1 72 72 ASN CA C 13 53.750 0.033 . 1 . . . . . 221 ASN CA . 51836 1 231 . 1 . 1 72 72 ASN CB C 13 38.949 0.038 . 1 . . . . . 221 ASN CB . 51836 1 232 . 1 . 1 72 72 ASN N N 15 120.627 0.030 . 1 . . . . . 221 ASN N . 51836 1 233 . 1 . 1 73 73 THR H H 1 8.283 0.002 . 1 . . . . . 222 THR H . 51836 1 234 . 1 . 1 73 73 THR C C 13 174.854 0.124 . 1 . . . . . 222 THR C . 51836 1 235 . 1 . 1 73 73 THR CA C 13 59.391 0.068 . 1 . . . . . 222 THR CA . 51836 1 236 . 1 . 1 73 73 THR CB C 13 72.229 0.000 . 1 . . . . . 222 THR CB . 51836 1 237 . 1 . 1 73 73 THR N N 15 114.926 0.033 . 1 . . . . . 222 THR N . 51836 1 238 . 1 . 1 74 74 THR H H 1 8.866 0.002 . 1 . . . . . 223 THR H . 51836 1 239 . 1 . 1 74 74 THR C C 13 172.284 0.013 . 1 . . . . . 223 THR C . 51836 1 240 . 1 . 1 74 74 THR CA C 13 60.350 0.039 . 1 . . . . . 223 THR CA . 51836 1 241 . 1 . 1 74 74 THR CB C 13 71.304 0.000 . 1 . . . . . 223 THR CB . 51836 1 242 . 1 . 1 74 74 THR N N 15 114.270 0.019 . 1 . . . . . 223 THR N . 51836 1 243 . 1 . 1 75 75 VAL H H 1 8.479 0.001 . 1 . . . . . 224 VAL H . 51836 1 244 . 1 . 1 75 75 VAL C C 13 176.120 0.038 . 1 . . . . . 224 VAL C . 51836 1 245 . 1 . 1 75 75 VAL CA C 13 61.656 0.034 . 1 . . . . . 224 VAL CA . 51836 1 246 . 1 . 1 75 75 VAL CB C 13 33.699 0.015 . 1 . . . . . 224 VAL CB . 51836 1 247 . 1 . 1 75 75 VAL N N 15 121.125 0.017 . 1 . . . . . 224 VAL N . 51836 1 248 . 1 . 1 76 76 GLU H H 1 8.733 0.002 . 1 . . . . . 225 GLU H . 51836 1 249 . 1 . 1 76 76 GLU C C 13 176.050 0.011 . 1 . . . . . 225 GLU C . 51836 1 250 . 1 . 1 76 76 GLU CA C 13 55.128 0.007 . 1 . . . . . 225 GLU CA . 51836 1 251 . 1 . 1 76 76 GLU CB C 13 31.376 0.032 . 1 . . . . . 225 GLU CB . 51836 1 252 . 1 . 1 76 76 GLU N N 15 128.916 0.016 . 1 . . . . . 225 GLU N . 51836 1 253 . 1 . 1 77 77 GLY H H 1 9.161 0.001 . 1 . . . . . 226 GLY H . 51836 1 254 . 1 . 1 77 77 GLY C C 13 173.985 0.039 . 1 . . . . . 226 GLY C . 51836 1 255 . 1 . 1 77 77 GLY CA C 13 47.491 0.050 . 1 . . . . . 226 GLY CA . 51836 1 256 . 1 . 1 77 77 GLY N N 15 117.516 0.015 . 1 . . . . . 226 GLY N . 51836 1 257 . 1 . 1 78 78 ASN H H 1 8.695 0.002 . 1 . . . . . 227 ASN H . 51836 1 258 . 1 . 1 78 78 ASN C C 13 173.602 0.027 . 1 . . . . . 227 ASN C . 51836 1 259 . 1 . 1 78 78 ASN CA C 13 38.639 0.053 . 1 . . . . . 227 ASN CA . 51836 1 260 . 1 . 1 78 78 ASN N N 15 125.704 0.014 . 1 . . . . . 227 ASN N . 51836 1 261 . 1 . 1 79 79 THR H H 1 8.153 0.002 . 1 . . . . . 228 THR H . 51836 1 262 . 1 . 1 79 79 THR C C 13 172.312 0.006 . 1 . . . . . 228 THR C . 51836 1 263 . 1 . 1 79 79 THR CA C 13 62.377 0.025 . 1 . . . . . 228 THR CA . 51836 1 264 . 1 . 1 79 79 THR CB C 13 71.005 0.082 . 1 . . . . . 228 THR CB . 51836 1 265 . 1 . 1 79 79 THR N N 15 116.548 0.019 . 1 . . . . . 228 THR N . 51836 1 266 . 1 . 1 80 80 LEU H H 1 9.093 0.004 . 1 . . . . . 229 LEU H . 51836 1 267 . 1 . 1 80 80 LEU C C 13 174.774 0.000 . 1 . . . . . 229 LEU C . 51836 1 268 . 1 . 1 80 80 LEU CA C 13 26.976 0.000 . 1 . . . . . 229 LEU CA . 51836 1 269 . 1 . 1 80 80 LEU CB C 13 43.256 0.071 . 1 . . . . . 229 LEU CB . 51836 1 270 . 1 . 1 80 80 LEU N N 15 127.965 0.035 . 1 . . . . . 229 LEU N . 51836 1 271 . 1 . 1 81 81 ILE H H 1 9.284 0.002 . 1 . . . . . 230 ILE H . 51836 1 272 . 1 . 1 81 81 ILE C C 13 176.118 0.006 . 1 . . . . . 230 ILE C . 51836 1 273 . 1 . 1 81 81 ILE CA C 13 60.739 0.021 . 1 . . . . . 230 ILE CA . 51836 1 274 . 1 . 1 81 81 ILE CB C 13 38.204 0.092 . 1 . . . . . 230 ILE CB . 51836 1 275 . 1 . 1 81 81 ILE N N 15 125.174 0.032 . 1 . . . . . 230 ILE N . 51836 1 276 . 1 . 1 82 82 VAL H H 1 9.421 0.003 . 1 . . . . . 231 VAL H . 51836 1 277 . 1 . 1 82 82 VAL C C 13 177.454 0.011 . 1 . . . . . 231 VAL C . 51836 1 278 . 1 . 1 82 82 VAL CA C 13 60.671 0.028 . 1 . . . . . 231 VAL CA . 51836 1 279 . 1 . 1 82 82 VAL CB C 13 33.549 0.015 . 1 . . . . . 231 VAL CB . 51836 1 280 . 1 . 1 82 82 VAL N N 15 128.426 0.041 . 1 . . . . . 231 VAL N . 51836 1 281 . 1 . 1 83 83 HIS H H 1 9.168 0.005 . 1 . . . . . 232 HIS H . 51836 1 282 . 1 . 1 83 83 HIS C C 13 173.664 0.015 . 1 . . . . . 232 HIS C . 51836 1 283 . 1 . 1 83 83 HIS CA C 13 55.305 0.022 . 1 . . . . . 232 HIS CA . 51836 1 284 . 1 . 1 83 83 HIS CB C 13 25.897 0.107 . 1 . . . . . 232 HIS CB . 51836 1 285 . 1 . 1 83 83 HIS N N 15 129.220 0.018 . 1 . . . . . 232 HIS N . 51836 1 286 . 1 . 1 84 84 GLY H H 1 8.226 0.001 . 1 . . . . . 233 GLY H . 51836 1 287 . 1 . 1 84 84 GLY C C 13 170.966 0.017 . 1 . . . . . 233 GLY C . 51836 1 288 . 1 . 1 84 84 GLY CA C 13 55.390 0.000 . 1 . . . . . 233 GLY CA . 51836 1 289 . 1 . 1 84 84 GLY N N 15 112.655 0.028 . 1 . . . . . 233 GLY N . 51836 1 290 . 1 . 1 85 85 THR H H 1 7.246 0.002 . 1 . . . . . 234 THR H . 51836 1 291 . 1 . 1 85 85 THR C C 13 172.135 0.043 . 1 . . . . . 234 THR C . 51836 1 292 . 1 . 1 85 85 THR CA C 13 59.314 0.028 . 1 . . . . . 234 THR CA . 51836 1 293 . 1 . 1 85 85 THR CB C 13 71.542 0.023 . 1 . . . . . 234 THR CB . 51836 1 294 . 1 . 1 85 85 THR N N 15 107.879 0.011 . 1 . . . . . 234 THR N . 51836 1 295 . 1 . 1 86 86 TYR H H 1 9.971 0.004 . 1 . . . . . 235 TYR H . 51836 1 296 . 1 . 1 86 86 TYR C C 13 172.940 0.000 . 1 . . . . . 235 TYR C . 51836 1 297 . 1 . 1 86 86 TYR CA C 13 55.440 0.000 . 1 . . . . . 235 TYR CA . 51836 1 298 . 1 . 1 86 86 TYR CB C 13 42.020 0.000 . 1 . . . . . 235 TYR CB . 51836 1 299 . 1 . 1 86 86 TYR N N 15 123.851 0.028 . 1 . . . . . 235 TYR N . 51836 1 300 . 1 . 1 87 87 PRO C C 13 176.582 0.003 . 1 . . . . . 236 PRO C . 51836 1 301 . 1 . 1 87 87 PRO CA C 13 63.771 0.003 . 1 . . . . . 236 PRO CA . 51836 1 302 . 1 . 1 87 87 PRO CB C 13 31.532 0.069 . 1 . . . . . 236 PRO CB . 51836 1 303 . 1 . 1 88 88 PHE H H 1 7.235 0.002 . 1 . . . . . 237 PHE H . 51836 1 304 . 1 . 1 88 88 PHE C C 13 173.694 0.005 . 1 . . . . . 237 PHE C . 51836 1 305 . 1 . 1 88 88 PHE CA C 13 63.959 0.000 . 1 . . . . . 237 PHE CA . 51836 1 306 . 1 . 1 88 88 PHE CB C 13 42.833 0.073 . 1 . . . . . 237 PHE CB . 51836 1 307 . 1 . 1 88 88 PHE N N 15 114.887 0.020 . 1 . . . . . 237 PHE N . 51836 1 308 . 1 . 1 89 89 LEU H H 1 8.574 0.001 . 1 . . . . . 238 LEU H . 51836 1 309 . 1 . 1 89 89 LEU C C 13 176.027 0.000 . 1 . . . . . 238 LEU C . 51836 1 310 . 1 . 1 89 89 LEU CA C 13 53.218 0.034 . 1 . . . . . 238 LEU CA . 51836 1 311 . 1 . 1 89 89 LEU CB C 13 48.653 0.000 . 1 . . . . . 238 LEU CB . 51836 1 312 . 1 . 1 89 89 LEU N N 15 118.546 0.044 . 1 . . . . . 238 LEU N . 51836 1 313 . 1 . 1 90 90 VAL H H 1 9.360 0.002 . 1 . . . . . 239 VAL H . 51836 1 314 . 1 . 1 90 90 VAL C C 13 174.303 0.008 . 1 . . . . . 239 VAL C . 51836 1 315 . 1 . 1 90 90 VAL CA C 13 61.677 0.054 . 1 . . . . . 239 VAL CA . 51836 1 316 . 1 . 1 90 90 VAL CB C 13 35.237 0.054 . 1 . . . . . 239 VAL CB . 51836 1 317 . 1 . 1 90 90 VAL N N 15 123.460 0.036 . 1 . . . . . 239 VAL N . 51836 1 318 . 1 . 1 91 91 VAL H H 1 9.112 0.002 . 1 . . . . . 240 VAL H . 51836 1 319 . 1 . 1 91 91 VAL C C 13 175.249 0.057 . 1 . . . . . 240 VAL C . 51836 1 320 . 1 . 1 91 91 VAL CA C 13 61.213 0.057 . 1 . . . . . 240 VAL CA . 51836 1 321 . 1 . 1 91 91 VAL CB C 13 32.638 0.001 . 1 . . . . . 240 VAL CB . 51836 1 322 . 1 . 1 91 91 VAL N N 15 126.968 0.028 . 1 . . . . . 240 VAL N . 51836 1 323 . 1 . 1 92 92 ARG H H 1 9.480 0.003 . 1 . . . . . 241 ARG H . 51836 1 324 . 1 . 1 92 92 ARG C C 13 175.487 0.023 . 1 . . . . . 241 ARG C . 51836 1 325 . 1 . 1 92 92 ARG CA C 13 54.953 0.048 . 1 . . . . . 241 ARG CA . 51836 1 326 . 1 . 1 92 92 ARG CB C 13 34.539 0.101 . 1 . . . . . 241 ARG CB . 51836 1 327 . 1 . 1 92 92 ARG N N 15 125.710 0.031 . 1 . . . . . 241 ARG N . 51836 1 328 . 1 . 1 93 93 HIS H H 1 8.642 0.003 . 1 . . . . . 242 HIS H . 51836 1 329 . 1 . 1 93 93 HIS C C 13 174.657 0.003 . 1 . . . . . 242 HIS C . 51836 1 330 . 1 . 1 93 93 HIS CA C 13 56.678 0.014 . 1 . . . . . 242 HIS CA . 51836 1 331 . 1 . 1 93 93 HIS CB C 13 32.190 0.000 . 1 . . . . . 242 HIS CB . 51836 1 332 . 1 . 1 93 93 HIS N N 15 123.082 0.048 . 1 . . . . . 242 HIS N . 51836 1 333 . 1 . 1 94 94 GLY H H 1 9.095 0.003 . 1 . . . . . 243 GLY H . 51836 1 334 . 1 . 1 94 94 GLY C C 13 174.680 0.013 . 1 . . . . . 243 GLY C . 51836 1 335 . 1 . 1 94 94 GLY CA C 13 56.660 0.000 . 1 . . . . . 243 GLY CA . 51836 1 336 . 1 . 1 94 94 GLY N N 15 119.045 0.030 . 1 . . . . . 243 GLY N . 51836 1 337 . 1 . 1 95 95 ASP H H 1 8.945 0.002 . 1 . . . . . 244 ASP H . 51836 1 338 . 1 . 1 95 95 ASP C C 13 175.626 0.017 . 1 . . . . . 244 ASP C . 51836 1 339 . 1 . 1 95 95 ASP CA C 13 54.276 0.052 . 1 . . . . . 244 ASP CA . 51836 1 340 . 1 . 1 95 95 ASP CB C 13 40.495 0.053 . 1 . . . . . 244 ASP CB . 51836 1 341 . 1 . 1 95 95 ASP N N 15 126.674 0.018 . 1 . . . . . 244 ASP N . 51836 1 342 . 1 . 1 96 96 ASN H H 1 8.227 0.003 . 1 . . . . . 245 ASN H . 51836 1 343 . 1 . 1 96 96 ASN C C 13 173.787 0.004 . 1 . . . . . 245 ASN C . 51836 1 344 . 1 . 1 96 96 ASN CA C 13 53.392 0.057 . 1 . . . . . 245 ASN CA . 51836 1 345 . 1 . 1 96 96 ASN CB C 13 40.121 0.000 . 1 . . . . . 245 ASN CB . 51836 1 346 . 1 . 1 96 96 ASN N N 15 119.354 0.009 . 1 . . . . . 245 ASN N . 51836 1 347 . 1 . 1 97 97 VAL H H 1 8.490 0.004 . 1 . . . . . 246 VAL H . 51836 1 348 . 1 . 1 97 97 VAL CA C 13 61.086 0.078 . 1 . . . . . 246 VAL CA . 51836 1 349 . 1 . 1 97 97 VAL CB C 13 34.341 0.000 . 1 . . . . . 246 VAL CB . 51836 1 350 . 1 . 1 97 97 VAL N N 15 123.130 0.057 . 1 . . . . . 246 VAL N . 51836 1 351 . 1 . 1 98 98 VAL H H 1 8.950 0.004 . 1 . . . . . 247 VAL H . 51836 1 352 . 1 . 1 98 98 VAL C C 13 173.262 0.028 . 1 . . . . . 247 VAL C . 51836 1 353 . 1 . 1 98 98 VAL CA C 13 61.776 0.056 . 1 . . . . . 247 VAL CA . 51836 1 354 . 1 . 1 98 98 VAL CB C 13 35.167 0.000 . 1 . . . . . 247 VAL CB . 51836 1 355 . 1 . 1 98 98 VAL N N 15 126.693 0.059 . 1 . . . . . 247 VAL N . 51836 1 356 . 1 . 1 99 99 GLY H H 1 8.588 0.004 . 1 . . . . . 248 GLY H . 51836 1 357 . 1 . 1 99 99 GLY C C 13 173.261 0.017 . 1 . . . . . 248 GLY C . 51836 1 358 . 1 . 1 99 99 GLY CA C 13 44.763 0.035 . 1 . . . . . 248 GLY CA . 51836 1 359 . 1 . 1 99 99 GLY N N 15 115.027 0.016 . 1 . . . . . 248 GLY N . 51836 1 360 . 1 . 1 100 100 LEU H H 1 9.479 0.005 . 1 . . . . . 249 LEU H . 51836 1 361 . 1 . 1 100 100 LEU C C 13 175.360 0.000 . 1 . . . . . 249 LEU C . 51836 1 362 . 1 . 1 100 100 LEU CA C 13 53.495 0.000 . 1 . . . . . 249 LEU CA . 51836 1 363 . 1 . 1 100 100 LEU N N 15 124.026 0.039 . 1 . . . . . 249 LEU N . 51836 1 stop_ save_