################################### # 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 27537 _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' . . . 27537 1 2 '2D CON' . . . 27537 1 3 '3D hacacoNcaNCO' . . . 27537 1 4 '3D hacaCOncaNCO' . . . 27537 1 5 '3D CBCANCO' . . . 27537 1 6 '3D HNCO' . . . 27537 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 $TOPSPIN . . 27537 1 2 $SPARKY . . 27537 1 3 $NMRPipe . . 27537 1 4 $NMRView . . 27537 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 173.272 0.200 . 1 . . . . . 1 MET C . 27537 1 2 . 1 1 1 1 MET CA C 13 55.260 0.200 . 1 . . . . . 1 MET CA . 27537 1 3 . 1 1 1 1 MET CB C 13 33.305 0.200 . 1 . . . . . 1 MET CB . 27537 1 4 . 1 1 2 2 ASP C C 13 175.521 0.200 . 1 . . . . . 2 ASP C . 27537 1 5 . 1 1 2 2 ASP CA C 13 54.668 0.200 . 1 . . . . . 2 ASP CA . 27537 1 6 . 1 1 2 2 ASP CB C 13 41.165 0.200 . 1 . . . . . 2 ASP CB . 27537 1 7 . 1 1 2 2 ASP N N 15 123.928 0.200 . 1 . . . . . 2 ASP N . 27537 1 8 . 1 1 3 3 GLU H H 1 8.568 0.020 . 1 . . . . . 3 GLU H . 27537 1 9 . 1 1 3 3 GLU C C 13 174.610 0.200 . 1 . . . . . 3 GLU C . 27537 1 10 . 1 1 3 3 GLU CA C 13 54.771 0.200 . 1 . . . . . 3 GLU CA . 27537 1 11 . 1 1 3 3 GLU CB C 13 29.777 0.200 . 1 . . . . . 3 GLU CB . 27537 1 12 . 1 1 3 3 GLU N N 15 122.944 0.200 . 1 . . . . . 3 GLU N . 27537 1 13 . 1 1 4 4 PRO C C 13 177.025 0.200 . 1 . . . . . 4 PRO C . 27537 1 14 . 1 1 4 4 PRO CA C 13 63.365 0.200 . 1 . . . . . 4 PRO CA . 27537 1 15 . 1 1 4 4 PRO CB C 13 32.051 0.200 . 1 . . . . . 4 PRO CB . 27537 1 16 . 1 1 4 4 PRO N N 15 137.535 0.200 . 1 . . . . . 4 PRO N . 27537 1 17 . 1 1 5 5 LYS C C 13 176.868 0.200 . 1 . . . . . 5 LYS C . 27537 1 18 . 1 1 5 5 LYS CA C 13 56.560 0.200 . 1 . . . . . 5 LYS CA . 27537 1 19 . 1 1 5 5 LYS CB C 13 32.203 0.200 . 1 . . . . . 5 LYS CB . 27537 1 20 . 1 1 5 5 LYS N N 15 121.497 0.200 . 1 . . . . . 5 LYS N . 27537 1 21 . 1 1 6 6 ARG C C 13 176.418 0.200 . 1 . . . . . 6 ARG C . 27537 1 22 . 1 1 6 6 ARG CA C 13 56.333 0.200 . 1 . . . . . 6 ARG CA . 27537 1 23 . 1 1 6 6 ARG CB C 13 30.974 0.200 . 1 . . . . . 6 ARG CB . 27537 1 24 . 1 1 6 6 ARG N N 15 122.460 0.200 . 1 . . . . . 6 ARG N . 27537 1 25 . 1 1 7 7 SER H H 1 8.401 0.020 . 1 . . . . . 7 SER H . 27537 1 26 . 1 1 7 7 SER C C 13 174.731 0.200 . 1 . . . . . 7 SER C . 27537 1 27 . 1 1 7 7 SER CA C 13 58.437 0.200 . 1 . . . . . 7 SER CA . 27537 1 28 . 1 1 7 7 SER CB C 13 63.982 0.200 . 1 . . . . . 7 SER CB . 27537 1 29 . 1 1 7 7 SER N N 15 117.401 0.200 . 1 . . . . . 7 SER N . 27537 1 30 . 1 1 8 8 VAL H H 1 8.177 0.020 . 1 . . . . . 8 VAL H . 27537 1 31 . 1 1 8 8 VAL C C 13 175.837 0.200 . 1 . . . . . 8 VAL C . 27537 1 32 . 1 1 8 8 VAL CA C 13 62.417 0.200 . 1 . . . . . 8 VAL CA . 27537 1 33 . 1 1 8 8 VAL CB C 13 32.908 0.200 . 1 . . . . . 8 VAL CB . 27537 1 34 . 1 1 8 8 VAL N N 15 121.615 0.200 . 1 . . . . . 8 VAL N . 27537 1 35 . 1 1 9 9 ALA H H 1 8.272 0.020 . 1 . . . . . 9 ALA H . 27537 1 36 . 1 1 9 9 ALA C C 13 177.413 0.200 . 1 . . . . . 9 ALA C . 27537 1 37 . 1 1 9 9 ALA CA C 13 52.636 0.200 . 1 . . . . . 9 ALA CA . 27537 1 38 . 1 1 9 9 ALA CB C 13 19.098 0.200 . 1 . . . . . 9 ALA CB . 27537 1 39 . 1 1 9 9 ALA N N 15 126.936 0.200 . 1 . . . . . 9 ALA N . 27537 1 40 . 1 1 10 10 PHE H H 1 8.129 0.020 . 1 . . . . . 10 PHE H . 27537 1 41 . 1 1 10 10 PHE C C 13 175.592 0.200 . 1 . . . . . 10 PHE C . 27537 1 42 . 1 1 10 10 PHE CA C 13 57.902 0.200 . 1 . . . . . 10 PHE CA . 27537 1 43 . 1 1 10 10 PHE CB C 13 39.621 0.200 . 1 . . . . . 10 PHE CB . 27537 1 44 . 1 1 10 10 PHE N N 15 119.819 0.200 . 1 . . . . . 10 PHE N . 27537 1 45 . 1 1 11 11 LYS H H 1 8.151 0.020 . 1 . . . . . 11 LYS H . 27537 1 46 . 1 1 11 11 LYS C C 13 176.036 0.200 . 1 . . . . . 11 LYS C . 27537 1 47 . 1 1 11 11 LYS CA C 13 56.230 0.200 . 1 . . . . . 11 LYS CA . 27537 1 48 . 1 1 11 11 LYS CB C 13 33.214 0.200 . 1 . . . . . 11 LYS CB . 27537 1 49 . 1 1 11 11 LYS N N 15 123.552 0.200 . 1 . . . . . 11 LYS N . 27537 1 50 . 1 1 12 12 LYS H H 1 8.338 0.020 . 1 . . . . . 12 LYS H . 27537 1 51 . 1 1 12 12 LYS C C 13 176.755 0.200 . 1 . . . . . 12 LYS C . 27537 1 52 . 1 1 12 12 LYS CA C 13 56.533 0.200 . 1 . . . . . 12 LYS CA . 27537 1 53 . 1 1 12 12 LYS CB C 13 33.097 0.200 . 1 . . . . . 12 LYS CB . 27537 1 54 . 1 1 12 12 LYS N N 15 123.321 0.200 . 1 . . . . . 12 LYS N . 27537 1 55 . 1 1 13 13 THR H H 1 8.226 0.020 . 1 . . . . . 13 THR H . 27537 1 56 . 1 1 13 13 THR C C 13 174.395 0.200 . 1 . . . . . 13 THR C . 27537 1 57 . 1 1 13 13 THR CA C 13 62.268 0.200 . 1 . . . . . 13 THR CA . 27537 1 58 . 1 1 13 13 THR CB C 13 70.451 0.200 . 1 . . . . . 13 THR CB . 27537 1 59 . 1 1 13 13 THR N N 15 116.450 0.200 . 1 . . . . . 13 THR N . 27537 1 60 . 1 1 14 14 LYS C C 13 176.328 0.200 . 1 . . . . . 14 LYS C . 27537 1 61 . 1 1 14 14 LYS CA C 13 56.385 0.200 . 1 . . . . . 14 LYS CA . 27537 1 62 . 1 1 14 14 LYS CB C 13 33.072 0.200 . 1 . . . . . 14 LYS CB . 27537 1 63 . 1 1 14 14 LYS N N 15 124.457 0.200 . 1 . . . . . 14 LYS N . 27537 1 64 . 1 1 15 15 LYS C C 13 176.345 0.200 . 1 . . . . . 15 LYS C . 27537 1 65 . 1 1 15 15 LYS CA C 13 56.602 0.200 . 1 . . . . . 15 LYS CA . 27537 1 66 . 1 1 15 15 LYS CB C 13 33.037 0.200 . 1 . . . . . 15 LYS CB . 27537 1 67 . 1 1 15 15 LYS N N 15 123.644 0.200 . 1 . . . . . 15 LYS N . 27537 1 68 . 1 1 16 16 GLU H H 1 8.508 0.020 . 1 . . . . . 16 GLU H . 27537 1 69 . 1 1 16 16 GLU C C 13 176.256 0.200 . 1 . . . . . 16 GLU C . 27537 1 70 . 1 1 16 16 GLU CA C 13 56.405 0.200 . 1 . . . . . 16 GLU CA . 27537 1 71 . 1 1 16 16 GLU CB C 13 30.486 0.200 . 1 . . . . . 16 GLU CB . 27537 1 72 . 1 1 16 16 GLU N N 15 123.481 0.200 . 1 . . . . . 16 GLU N . 27537 1 73 . 1 1 17 17 VAL C C 13 176.024 0.200 . 1 . . . . . 17 VAL C . 27537 1 74 . 1 1 17 17 VAL CA C 13 62.327 0.200 . 1 . . . . . 17 VAL CA . 27537 1 75 . 1 1 17 17 VAL CB C 13 32.801 0.200 . 1 . . . . . 17 VAL CB . 27537 1 76 . 1 1 17 17 VAL N N 15 123.001 0.200 . 1 . . . . . 17 VAL N . 27537 1 77 . 1 1 18 18 LYS H H 1 8.397 0.020 . 1 . . . . . 18 LYS H . 27537 1 78 . 1 1 18 18 LYS C C 13 176.281 0.200 . 1 . . . . . 18 LYS C . 27537 1 79 . 1 1 18 18 LYS CA C 13 56.355 0.200 . 1 . . . . . 18 LYS CA . 27537 1 80 . 1 1 18 18 LYS CB C 13 33.051 0.200 . 1 . . . . . 18 LYS CB . 27537 1 81 . 1 1 18 18 LYS N N 15 126.105 0.200 . 1 . . . . . 18 LYS N . 27537 1 82 . 1 1 19 19 LYS H H 1 8.450 0.020 . 1 . . . . . 19 LYS H . 27537 1 83 . 1 1 19 19 LYS C C 13 176.392 0.200 . 1 . . . . . 19 LYS C . 27537 1 84 . 1 1 19 19 LYS CA C 13 56.405 0.200 . 1 . . . . . 19 LYS CA . 27537 1 85 . 1 1 19 19 LYS CB C 13 33.073 0.200 . 1 . . . . . 19 LYS CB . 27537 1 86 . 1 1 19 19 LYS N N 15 124.154 0.200 . 1 . . . . . 19 LYS N . 27537 1 87 . 1 1 20 20 VAL H H 1 8.260 0.020 . 1 . . . . . 20 VAL H . 27537 1 88 . 1 1 20 20 VAL C C 13 175.682 0.200 . 1 . . . . . 20 VAL C . 27537 1 89 . 1 1 20 20 VAL CA C 13 62.135 0.200 . 1 . . . . . 20 VAL CA . 27537 1 90 . 1 1 20 20 VAL CB C 13 33.078 0.200 . 1 . . . . . 20 VAL CB . 27537 1 91 . 1 1 20 20 VAL N N 15 122.561 0.200 . 1 . . . . . 20 VAL N . 27537 1 92 . 1 1 21 21 ALA H H 1 8.497 0.020 . 1 . . . . . 21 ALA H . 27537 1 93 . 1 1 21 21 ALA C C 13 177.492 0.200 . 1 . . . . . 21 ALA C . 27537 1 94 . 1 1 21 21 ALA CA C 13 52.344 0.200 . 1 . . . . . 21 ALA CA . 27537 1 95 . 1 1 21 21 ALA CB C 13 19.271 0.200 . 1 . . . . . 21 ALA CB . 27537 1 96 . 1 1 21 21 ALA N N 15 128.790 0.200 . 1 . . . . . 21 ALA N . 27537 1 97 . 1 1 22 22 THR H H 1 8.282 0.020 . 1 . . . . . 22 THR H . 27537 1 98 . 1 1 22 22 THR C C 13 172.943 0.200 . 1 . . . . . 22 THR C . 27537 1 99 . 1 1 22 22 THR CA C 13 59.922 0.200 . 1 . . . . . 22 THR CA . 27537 1 100 . 1 1 22 22 THR CB C 13 69.755 0.200 . 1 . . . . . 22 THR CB . 27537 1 101 . 1 1 22 22 THR N N 15 117.098 0.200 . 1 . . . . . 22 THR N . 27537 1 102 . 1 1 23 23 PRO C C 13 176.891 0.200 . 1 . . . . . 23 PRO C . 27537 1 103 . 1 1 23 23 PRO CA C 13 63.369 0.200 . 1 . . . . . 23 PRO CA . 27537 1 104 . 1 1 23 23 PRO CB C 13 32.203 0.200 . 1 . . . . . 23 PRO CB . 27537 1 105 . 1 1 23 23 PRO N N 15 139.269 0.200 . 1 . . . . . 23 PRO N . 27537 1 106 . 1 1 24 24 LYS H H 1 8.439 0.020 . 1 . . . . . 24 LYS H . 27537 1 107 . 1 1 24 24 LYS C C 13 176.729 0.200 . 1 . . . . . 24 LYS C . 27537 1 108 . 1 1 24 24 LYS CA C 13 56.560 0.200 . 1 . . . . . 24 LYS CA . 27537 1 109 . 1 1 24 24 LYS CB C 13 33.079 0.200 . 1 . . . . . 24 LYS CB . 27537 1 110 . 1 1 24 24 LYS N N 15 122.407 0.200 . 1 . . . . . 24 LYS N . 27537 1 111 . 1 1 25 25 LYS C C 13 176.144 0.200 . 1 . . . . . 25 LYS C . 27537 1 112 . 1 1 25 25 LYS CA C 13 56.355 0.200 . 1 . . . . . 25 LYS CA . 27537 1 113 . 1 1 25 25 LYS CB C 13 33.086 0.200 . 1 . . . . . 25 LYS CB . 27537 1 114 . 1 1 25 25 LYS N N 15 123.206 0.200 . 1 . . . . . 25 LYS N . 27537 1 115 . 1 1 26 26 ALA C C 13 177.268 0.200 . 1 . . . . . 26 ALA C . 27537 1 116 . 1 1 26 26 ALA CA C 13 52.331 0.200 . 1 . . . . . 26 ALA CA . 27537 1 117 . 1 1 26 26 ALA CB C 13 19.260 0.200 . 1 . . . . . 26 ALA CB . 27537 1 118 . 1 1 26 26 ALA N N 15 126.237 0.200 . 1 . . . . . 26 ALA N . 27537 1 119 . 1 1 27 27 ALA H H 1 8.344 0.020 . 1 . . . . . 27 ALA H . 27537 1 120 . 1 1 27 27 ALA C C 13 177.536 0.200 . 1 . . . . . 27 ALA C . 27537 1 121 . 1 1 27 27 ALA CA C 13 52.245 0.200 . 1 . . . . . 27 ALA CA . 27537 1 122 . 1 1 27 27 ALA CB C 13 19.260 0.200 . 1 . . . . . 27 ALA CB . 27537 1 123 . 1 1 27 27 ALA N N 15 124.345 0.200 . 1 . . . . . 27 ALA N . 27537 1 124 . 1 1 28 28 LYS H H 1 8.393 0.020 . 1 . . . . . 28 LYS H . 27537 1 125 . 1 1 28 28 LYS C C 13 174.615 0.200 . 1 . . . . . 28 LYS C . 27537 1 126 . 1 1 28 28 LYS CA C 13 54.313 0.200 . 1 . . . . . 28 LYS CA . 27537 1 127 . 1 1 28 28 LYS CB C 13 32.430 0.200 . 1 . . . . . 28 LYS CB . 27537 1 128 . 1 1 28 28 LYS N N 15 122.480 0.200 . 1 . . . . . 28 LYS N . 27537 1 129 . 1 1 29 29 PRO C C 13 176.885 0.200 . 1 . . . . . 29 PRO C . 27537 1 130 . 1 1 29 29 PRO CA C 13 63.256 0.200 . 1 . . . . . 29 PRO CA . 27537 1 131 . 1 1 29 29 PRO CB C 13 32.373 0.200 . 1 . . . . . 29 PRO CB . 27537 1 132 . 1 1 29 29 PRO N N 15 137.353 0.200 . 1 . . . . . 29 PRO N . 27537 1 133 . 1 1 30 30 LYS C C 13 176.725 0.200 . 1 . . . . . 30 LYS C . 27537 1 134 . 1 1 30 30 LYS CA C 13 56.404 0.200 . 1 . . . . . 30 LYS CA . 27537 1 135 . 1 1 30 30 LYS CB C 13 33.249 0.200 . 1 . . . . . 30 LYS CB . 27537 1 136 . 1 1 30 30 LYS N N 15 122.443 0.200 . 1 . . . . . 30 LYS N . 27537 1 137 . 1 1 31 31 LYS C C 13 176.216 0.200 . 1 . . . . . 31 LYS C . 27537 1 138 . 1 1 31 31 LYS CA C 13 56.376 0.200 . 1 . . . . . 31 LYS CA . 27537 1 139 . 1 1 31 31 LYS CB C 13 33.178 0.200 . 1 . . . . . 31 LYS CB . 27537 1 140 . 1 1 31 31 LYS N N 15 123.321 0.200 . 1 . . . . . 31 LYS N . 27537 1 141 . 1 1 32 32 ALA C C 13 177.428 0.200 . 1 . . . . . 32 ALA C . 27537 1 142 . 1 1 32 32 ALA CA C 13 52.432 0.200 . 1 . . . . . 32 ALA CA . 27537 1 143 . 1 1 32 32 ALA CB C 13 19.233 0.200 . 1 . . . . . 32 ALA CB . 27537 1 144 . 1 1 32 32 ALA N N 15 126.444 0.200 . 1 . . . . . 32 ALA N . 27537 1 145 . 1 1 33 33 ALA H H 1 8.397 0.020 . 1 . . . . . 33 ALA H . 27537 1 146 . 1 1 33 33 ALA C C 13 177.885 0.200 . 1 . . . . . 33 ALA C . 27537 1 147 . 1 1 33 33 ALA CA C 13 52.622 0.200 . 1 . . . . . 33 ALA CA . 27537 1 148 . 1 1 33 33 ALA CB C 13 19.190 0.200 . 1 . . . . . 33 ALA CB . 27537 1 149 . 1 1 33 33 ALA N N 15 124.112 0.200 . 1 . . . . . 33 ALA N . 27537 1 150 . 1 1 34 34 SER H H 1 8.352 0.020 . 1 . . . . . 34 SER H . 27537 1 151 . 1 1 34 34 SER C C 13 174.455 0.200 . 1 . . . . . 34 SER C . 27537 1 152 . 1 1 34 34 SER CA C 13 58.339 0.200 . 1 . . . . . 34 SER CA . 27537 1 153 . 1 1 34 34 SER CB C 13 64.098 0.200 . 1 . . . . . 34 SER CB . 27537 1 154 . 1 1 34 34 SER N N 15 115.762 0.200 . 1 . . . . . 34 SER N . 27537 1 155 . 1 1 35 35 LYS C C 13 175.976 0.200 . 1 . . . . . 35 LYS C . 27537 1 156 . 1 1 35 35 LYS CA C 13 56.231 0.200 . 1 . . . . . 35 LYS CA . 27537 1 157 . 1 1 35 35 LYS CB C 13 33.103 0.200 . 1 . . . . . 35 LYS CB . 27537 1 158 . 1 1 35 35 LYS N N 15 123.604 0.200 . 1 . . . . . 35 LYS N . 27537 1 159 . 1 1 36 36 ALA H H 1 8.398 0.020 . 1 . . . . . 36 ALA H . 27537 1 160 . 1 1 36 36 ALA C C 13 175.539 0.200 . 1 . . . . . 36 ALA C . 27537 1 161 . 1 1 36 36 ALA CA C 13 50.588 0.200 . 1 . . . . . 36 ALA CA . 27537 1 162 . 1 1 36 36 ALA CB C 13 18.002 0.200 . 1 . . . . . 36 ALA CB . 27537 1 163 . 1 1 36 36 ALA N N 15 127.225 0.200 . 1 . . . . . 36 ALA N . 27537 1 164 . 1 1 37 37 PRO C C 13 177.063 0.200 . 1 . . . . . 37 PRO C . 27537 1 165 . 1 1 37 37 PRO CA C 13 63.066 0.200 . 1 . . . . . 37 PRO CA . 27537 1 166 . 1 1 37 37 PRO CB C 13 32.094 0.200 . 1 . . . . . 37 PRO CB . 27537 1 167 . 1 1 37 37 PRO N N 15 135.823 0.200 . 1 . . . . . 37 PRO N . 27537 1 168 . 1 1 38 38 SER H H 1 8.471 0.020 . 1 . . . . . 38 SER H . 27537 1 169 . 1 1 38 38 SER C C 13 174.670 0.200 . 1 . . . . . 38 SER C . 27537 1 170 . 1 1 38 38 SER CA C 13 58.506 0.200 . 1 . . . . . 38 SER CA . 27537 1 171 . 1 1 38 38 SER CB C 13 64.088 0.200 . 1 . . . . . 38 SER CB . 27537 1 172 . 1 1 38 38 SER N N 15 116.689 0.200 . 1 . . . . . 38 SER N . 27537 1 173 . 1 1 39 39 LYS C C 13 176.315 0.200 . 1 . . . . . 39 LYS C . 27537 1 174 . 1 1 39 39 LYS CA C 13 56.355 0.200 . 1 . . . . . 39 LYS CA . 27537 1 175 . 1 1 39 39 LYS CB C 13 33.084 0.200 . 1 . . . . . 39 LYS CB . 27537 1 176 . 1 1 39 39 LYS N N 15 123.699 0.200 . 1 . . . . . 39 LYS N . 27537 1 177 . 1 1 40 40 LYS C C 13 174.538 0.200 . 1 . . . . . 40 LYS C . 27537 1 178 . 1 1 40 40 LYS CA C 13 54.296 0.200 . 1 . . . . . 40 LYS CA . 27537 1 179 . 1 1 40 40 LYS CB C 13 32.375 0.200 . 1 . . . . . 40 LYS CB . 27537 1 180 . 1 1 40 40 LYS N N 15 124.432 0.200 . 1 . . . . . 40 LYS N . 27537 1 181 . 1 1 41 41 PRO C C 13 176.850 0.200 . 1 . . . . . 41 PRO C . 27537 1 182 . 1 1 41 41 PRO CA C 13 63.143 0.200 . 1 . . . . . 41 PRO CA . 27537 1 183 . 1 1 41 41 PRO CB C 13 32.147 0.200 . 1 . . . . . 41 PRO CB . 27537 1 184 . 1 1 41 41 PRO N N 15 137.414 0.200 . 1 . . . . . 41 PRO N . 27537 1 185 . 1 1 42 42 LYS C C 13 176.368 0.200 . 1 . . . . . 42 LYS C . 27537 1 186 . 1 1 42 42 LYS CA C 13 56.362 0.200 . 1 . . . . . 42 LYS CA . 27537 1 187 . 1 1 42 42 LYS CB C 13 33.221 0.200 . 1 . . . . . 42 LYS CB . 27537 1 188 . 1 1 42 42 LYS N N 15 122.219 0.200 . 1 . . . . . 42 LYS N . 27537 1 189 . 1 1 43 43 ALA C C 13 177.552 0.200 . 1 . . . . . 43 ALA C . 27537 1 190 . 1 1 43 43 ALA CA C 13 52.204 0.200 . 1 . . . . . 43 ALA CA . 27537 1 191 . 1 1 43 43 ALA CB C 13 19.234 0.200 . 1 . . . . . 43 ALA CB . 27537 1 192 . 1 1 43 43 ALA N N 15 126.023 0.200 . 1 . . . . . 43 ALA N . 27537 1 193 . 1 1 44 44 THR H H 1 8.322 0.020 . 1 . . . . . 44 THR H . 27537 1 194 . 1 1 44 44 THR C C 13 172.928 0.200 . 1 . . . . . 44 THR C . 27537 1 195 . 1 1 44 44 THR CA C 13 60.068 0.200 . 1 . . . . . 44 THR CA . 27537 1 196 . 1 1 44 44 THR CB C 13 69.811 0.200 . 1 . . . . . 44 THR CB . 27537 1 197 . 1 1 44 44 THR N N 15 117.317 0.200 . 1 . . . . . 44 THR N . 27537 1 198 . 1 1 45 45 PRO C C 13 176.834 0.200 . 1 . . . . . 45 PRO C . 27537 1 199 . 1 1 45 45 PRO CA C 13 63.226 0.200 . 1 . . . . . 45 PRO CA . 27537 1 200 . 1 1 45 45 PRO CB C 13 32.121 0.200 . 1 . . . . . 45 PRO CB . 27537 1 201 . 1 1 45 45 PRO N N 15 139.279 0.200 . 1 . . . . . 45 PRO N . 27537 1 202 . 1 1 46 46 VAL H H 1 8.297 0.020 . 1 . . . . . 46 VAL H . 27537 1 203 . 1 1 46 46 VAL C C 13 176.234 0.200 . 1 . . . . . 46 VAL C . 27537 1 204 . 1 1 46 46 VAL CA C 13 62.652 0.200 . 1 . . . . . 46 VAL CA . 27537 1 205 . 1 1 46 46 VAL CB C 13 32.914 0.200 . 1 . . . . . 46 VAL CB . 27537 1 206 . 1 1 46 46 VAL N N 15 121.403 0.200 . 1 . . . . . 46 VAL N . 27537 1 207 . 1 1 47 47 LYS C C 13 176.340 0.200 . 1 . . . . . 47 LYS C . 27537 1 208 . 1 1 47 47 LYS CA C 13 56.397 0.200 . 1 . . . . . 47 LYS CA . 27537 1 209 . 1 1 47 47 LYS CB C 13 33.028 0.200 . 1 . . . . . 47 LYS CB . 27537 1 210 . 1 1 47 47 LYS N N 15 126.175 0.200 . 1 . . . . . 47 LYS N . 27537 1 211 . 1 1 48 48 LYS H H 1 8.402 0.020 . 1 . . . . . 48 LYS H . 27537 1 212 . 1 1 48 48 LYS C C 13 176.172 0.200 . 1 . . . . . 48 LYS C . 27537 1 213 . 1 1 48 48 LYS CA C 13 56.334 0.200 . 1 . . . . . 48 LYS CA . 27537 1 214 . 1 1 48 48 LYS CB C 13 33.274 0.200 . 1 . . . . . 48 LYS CB . 27537 1 215 . 1 1 48 48 LYS N N 15 124.009 0.200 . 1 . . . . . 48 LYS N . 27537 1 216 . 1 1 49 49 ALA C C 13 177.618 0.200 . 1 . . . . . 49 ALA C . 27537 1 217 . 1 1 49 49 ALA CA C 13 52.295 0.200 . 1 . . . . . 49 ALA CA . 27537 1 218 . 1 1 49 49 ALA CB C 13 19.284 0.200 . 1 . . . . . 49 ALA CB . 27537 1 219 . 1 1 49 49 ALA N N 15 126.285 0.200 . 1 . . . . . 49 ALA N . 27537 1 220 . 1 1 50 50 LYS H H 1 8.402 0.020 . 1 . . . . . 50 LYS H . 27537 1 221 . 1 1 50 50 LYS C C 13 176.582 0.200 . 1 . . . . . 50 LYS C . 27537 1 222 . 1 1 50 50 LYS CA C 13 56.411 0.200 . 1 . . . . . 50 LYS CA . 27537 1 223 . 1 1 50 50 LYS CB C 13 33.038 0.200 . 1 . . . . . 50 LYS CB . 27537 1 224 . 1 1 50 50 LYS N N 15 121.854 0.200 . 1 . . . . . 50 LYS N . 27537 1 225 . 1 1 51 51 LYS H H 1 8.444 0.020 . 1 . . . . . 51 LYS H . 27537 1 226 . 1 1 51 51 LYS C C 13 176.335 0.200 . 1 . . . . . 51 LYS C . 27537 1 227 . 1 1 51 51 LYS CA C 13 56.342 0.200 . 1 . . . . . 51 LYS CA . 27537 1 228 . 1 1 51 51 LYS CB C 13 33.151 0.200 . 1 . . . . . 51 LYS CB . 27537 1 229 . 1 1 51 51 LYS N N 15 123.663 0.200 . 1 . . . . . 51 LYS N . 27537 1 230 . 1 1 52 52 LYS H H 1 8.500 0.020 . 1 . . . . . 52 LYS H . 27537 1 231 . 1 1 52 52 LYS C C 13 174.537 0.200 . 1 . . . . . 52 LYS C . 27537 1 232 . 1 1 52 52 LYS N N 15 125.092 0.200 . 1 . . . . . 52 LYS N . 27537 1 233 . 1 1 53 53 PRO C C 13 176.582 0.200 . 1 . . . . . 53 PRO C . 27537 1 234 . 1 1 53 53 PRO CA C 13 63.077 0.200 . 1 . . . . . 53 PRO CA . 27537 1 235 . 1 1 53 53 PRO CB C 13 32.156 0.200 . 1 . . . . . 53 PRO CB . 27537 1 236 . 1 1 53 53 PRO N N 15 137.419 0.200 . 1 . . . . . 53 PRO N . 27537 1 237 . 1 1 54 54 ALA H H 1 8.429 0.020 . 1 . . . . . 54 ALA H . 27537 1 238 . 1 1 54 54 ALA C C 13 177.465 0.200 . 1 . . . . . 54 ALA C . 27537 1 239 . 1 1 54 54 ALA CA C 13 52.324 0.200 . 1 . . . . . 54 ALA CA . 27537 1 240 . 1 1 54 54 ALA CB C 13 19.254 0.200 . 1 . . . . . 54 ALA CB . 27537 1 241 . 1 1 54 54 ALA N N 15 124.806 0.200 . 1 . . . . . 54 ALA N . 27537 1 242 . 1 1 55 55 ALA H H 1 8.365 0.020 . 1 . . . . . 55 ALA H . 27537 1 243 . 1 1 55 55 ALA C C 13 177.657 0.200 . 1 . . . . . 55 ALA C . 27537 1 244 . 1 1 55 55 ALA CA C 13 52.191 0.200 . 1 . . . . . 55 ALA CA . 27537 1 245 . 1 1 55 55 ALA CB C 13 19.191 0.200 . 1 . . . . . 55 ALA CB . 27537 1 246 . 1 1 55 55 ALA N N 15 123.921 0.200 . 1 . . . . . 55 ALA N . 27537 1 247 . 1 1 56 56 THR H H 1 8.294 0.020 . 1 . . . . . 56 THR H . 27537 1 248 . 1 1 56 56 THR C C 13 172.948 0.200 . 1 . . . . . 56 THR C . 27537 1 249 . 1 1 56 56 THR CA C 13 60.007 0.200 . 1 . . . . . 56 THR CA . 27537 1 250 . 1 1 56 56 THR CB C 13 69.857 0.200 . 1 . . . . . 56 THR CB . 27537 1 251 . 1 1 56 56 THR N N 15 116.814 0.200 . 1 . . . . . 56 THR N . 27537 1 252 . 1 1 57 57 PRO C C 13 176.867 0.200 . 1 . . . . . 57 PRO C . 27537 1 253 . 1 1 57 57 PRO CA C 13 63.200 0.200 . 1 . . . . . 57 PRO CA . 27537 1 254 . 1 1 57 57 PRO CB C 13 32.175 0.200 . 1 . . . . . 57 PRO CB . 27537 1 255 . 1 1 57 57 PRO N N 15 139.343 0.200 . 1 . . . . . 57 PRO N . 27537 1 256 . 1 1 58 58 LYS H H 1 8.468 0.020 . 1 . . . . . 58 LYS H . 27537 1 257 . 1 1 58 58 LYS C C 13 176.704 0.200 . 1 . . . . . 58 LYS C . 27537 1 258 . 1 1 58 58 LYS CA C 13 56.460 0.200 . 1 . . . . . 58 LYS CA . 27537 1 259 . 1 1 58 58 LYS CB C 13 33.095 0.200 . 1 . . . . . 58 LYS CB . 27537 1 260 . 1 1 58 58 LYS N N 15 122.407 0.200 . 1 . . . . . 58 LYS N . 27537 1 261 . 1 1 59 59 LYS C C 13 176.161 0.200 . 1 . . . . . 59 LYS C . 27537 1 262 . 1 1 59 59 LYS CA C 13 56.341 0.200 . 1 . . . . . 59 LYS CA . 27537 1 263 . 1 1 59 59 LYS CB C 13 33.143 0.200 . 1 . . . . . 59 LYS CB . 27537 1 264 . 1 1 59 59 LYS N N 15 123.332 0.200 . 1 . . . . . 59 LYS N . 27537 1 265 . 1 1 60 60 ALA C C 13 177.592 0.200 . 1 . . . . . 60 ALA C . 27537 1 266 . 1 1 60 60 ALA CA C 13 52.333 0.200 . 1 . . . . . 60 ALA CA . 27537 1 267 . 1 1 60 60 ALA CB C 13 19.276 0.200 . 1 . . . . . 60 ALA CB . 27537 1 268 . 1 1 60 60 ALA N N 15 126.287 0.200 . 1 . . . . . 60 ALA N . 27537 1 269 . 1 1 61 61 LYS H H 1 8.392 0.020 . 1 . . . . . 61 LYS H . 27537 1 270 . 1 1 61 61 LYS C C 13 176.466 0.200 . 1 . . . . . 61 LYS C . 27537 1 271 . 1 1 61 61 LYS CA C 13 56.410 0.200 . 1 . . . . . 61 LYS CA . 27537 1 272 . 1 1 61 61 LYS CB C 13 33.103 0.200 . 1 . . . . . 61 LYS CB . 27537 1 273 . 1 1 61 61 LYS N N 15 121.821 0.200 . 1 . . . . . 61 LYS N . 27537 1 274 . 1 1 62 62 LYS H H 1 8.429 0.020 . 1 . . . . . 62 LYS H . 27537 1 275 . 1 1 62 62 LYS C C 13 174.500 0.200 . 1 . . . . . 62 LYS C . 27537 1 276 . 1 1 62 62 LYS CA C 13 54.299 0.200 . 1 . . . . . 62 LYS CA . 27537 1 277 . 1 1 62 62 LYS CB C 13 32.542 0.200 . 1 . . . . . 62 LYS CB . 27537 1 278 . 1 1 62 62 LYS N N 15 124.659 0.200 . 1 . . . . . 62 LYS N . 27537 1 279 . 1 1 63 63 PRO C C 13 176.665 0.200 . 1 . . . . . 63 PRO C . 27537 1 280 . 1 1 63 63 PRO CA C 13 63.168 0.200 . 1 . . . . . 63 PRO CA . 27537 1 281 . 1 1 63 63 PRO CB C 13 32.140 0.200 . 1 . . . . . 63 PRO CB . 27537 1 282 . 1 1 63 63 PRO N N 15 137.254 0.200 . 1 . . . . . 63 PRO N . 27537 1 283 . 1 1 64 64 LYS C C 13 176.561 0.200 . 1 . . . . . 64 LYS C . 27537 1 284 . 1 1 64 64 LYS CA C 13 56.526 0.200 . 1 . . . . . 64 LYS CA . 27537 1 285 . 1 1 64 64 LYS CB C 13 32.888 0.200 . 1 . . . . . 64 LYS CB . 27537 1 286 . 1 1 64 64 LYS N N 15 122.462 0.200 . 1 . . . . . 64 LYS N . 27537 1 287 . 1 1 65 65 VAL H H 1 8.380 0.020 . 1 . . . . . 65 VAL H . 27537 1 288 . 1 1 65 65 VAL C C 13 175.890 0.200 . 1 . . . . . 65 VAL C . 27537 1 289 . 1 1 65 65 VAL CA C 13 62.429 0.200 . 1 . . . . . 65 VAL CA . 27537 1 290 . 1 1 65 65 VAL CB C 13 32.873 0.200 . 1 . . . . . 65 VAL CB . 27537 1 291 . 1 1 65 65 VAL N N 15 123.196 0.200 . 1 . . . . . 65 VAL N . 27537 1 292 . 1 1 66 66 VAL C C 13 175.827 0.200 . 1 . . . . . 66 VAL C . 27537 1 293 . 1 1 66 66 VAL CA C 13 62.222 0.200 . 1 . . . . . 66 VAL CA . 27537 1 294 . 1 1 66 66 VAL CB C 13 32.786 0.200 . 1 . . . . . 66 VAL CB . 27537 1 295 . 1 1 66 66 VAL N N 15 126.088 0.200 . 1 . . . . . 66 VAL N . 27537 1 296 . 1 1 67 67 LYS H H 1 8.482 0.020 . 1 . . . . . 67 LYS H . 27537 1 297 . 1 1 67 67 LYS C C 13 176.214 0.200 . 1 . . . . . 67 LYS C . 27537 1 298 . 1 1 67 67 LYS CA C 13 56.362 0.200 . 1 . . . . . 67 LYS CA . 27537 1 299 . 1 1 67 67 LYS CB C 13 33.030 0.200 . 1 . . . . . 67 LYS CB . 27537 1 300 . 1 1 67 67 LYS N N 15 126.682 0.200 . 1 . . . . . 67 LYS N . 27537 1 301 . 1 1 68 68 VAL H H 1 8.235 0.020 . 1 . . . . . 68 VAL H . 27537 1 302 . 1 1 68 68 VAL C C 13 175.757 0.200 . 1 . . . . . 68 VAL C . 27537 1 303 . 1 1 68 68 VAL CA C 13 62.316 0.200 . 1 . . . . . 68 VAL CA . 27537 1 304 . 1 1 68 68 VAL CB C 13 32.881 0.200 . 1 . . . . . 68 VAL CB . 27537 1 305 . 1 1 68 68 VAL N N 15 122.768 0.200 . 1 . . . . . 68 VAL N . 27537 1 306 . 1 1 69 69 LYS H H 1 8.475 0.020 . 1 . . . . . 69 LYS H . 27537 1 307 . 1 1 69 69 LYS C C 13 174.426 0.200 . 1 . . . . . 69 LYS C . 27537 1 308 . 1 1 69 69 LYS CA C 13 54.289 0.200 . 1 . . . . . 69 LYS CA . 27537 1 309 . 1 1 69 69 LYS CB C 13 32.458 0.200 . 1 . . . . . 69 LYS CB . 27537 1 310 . 1 1 69 69 LYS N N 15 127.502 0.200 . 1 . . . . . 69 LYS N . 27537 1 311 . 1 1 70 70 PRO C C 13 176.843 0.200 . 1 . . . . . 70 PRO C . 27537 1 312 . 1 1 70 70 PRO CA C 13 62.994 0.200 . 1 . . . . . 70 PRO CA . 27537 1 313 . 1 1 70 70 PRO CB C 13 32.030 0.200 . 1 . . . . . 70 PRO CB . 27537 1 314 . 1 1 70 70 PRO N N 15 137.078 0.200 . 1 . . . . . 70 PRO N . 27537 1 315 . 1 1 71 71 VAL H H 1 8.294 0.020 . 1 . . . . . 71 VAL H . 27537 1 316 . 1 1 71 71 VAL C C 13 176.275 0.200 . 1 . . . . . 71 VAL C . 27537 1 317 . 1 1 71 71 VAL CA C 13 62.259 0.200 . 1 . . . . . 71 VAL CA . 27537 1 318 . 1 1 71 71 VAL CB C 13 32.885 0.200 . 1 . . . . . 71 VAL CB . 27537 1 319 . 1 1 71 71 VAL N N 15 121.180 0.200 . 1 . . . . . 71 VAL N . 27537 1 320 . 1 1 72 72 LYS H H 1 8.450 0.020 . 1 . . . . . 72 LYS H . 27537 1 321 . 1 1 72 72 LYS C C 13 176.046 0.200 . 1 . . . . . 72 LYS C . 27537 1 322 . 1 1 72 72 LYS CA C 13 56.399 0.200 . 1 . . . . . 72 LYS CA . 27537 1 323 . 1 1 72 72 LYS CB C 13 33.066 0.200 . 1 . . . . . 72 LYS CB . 27537 1 324 . 1 1 72 72 LYS N N 15 125.921 0.200 . 1 . . . . . 72 LYS N . 27537 1 325 . 1 1 73 73 ALA C C 13 177.647 0.200 . 1 . . . . . 73 ALA C . 27537 1 326 . 1 1 73 73 ALA CA C 13 52.450 0.200 . 1 . . . . . 73 ALA CA . 27537 1 327 . 1 1 73 73 ALA CB C 13 19.223 0.200 . 1 . . . . . 73 ALA CB . 27537 1 328 . 1 1 73 73 ALA N N 15 126.556 0.200 . 1 . . . . . 73 ALA N . 27537 1 329 . 1 1 74 74 SER H H 1 8.387 0.020 . 1 . . . . . 74 SER H . 27537 1 330 . 1 1 74 74 SER C C 13 174.199 0.200 . 1 . . . . . 74 SER C . 27537 1 331 . 1 1 74 74 SER CA C 13 58.217 0.200 . 1 . . . . . 74 SER CA . 27537 1 332 . 1 1 74 74 SER CB C 13 64.152 0.200 . 1 . . . . . 74 SER CB . 27537 1 333 . 1 1 74 74 SER N N 15 116.353 0.200 . 1 . . . . . 74 SER N . 27537 1 334 . 1 1 75 75 LYS C C 13 174.501 0.200 . 1 . . . . . 75 LYS C . 27537 1 335 . 1 1 75 75 LYS CA C 13 54.440 0.200 . 1 . . . . . 75 LYS CA . 27537 1 336 . 1 1 75 75 LYS CB C 13 32.514 0.200 . 1 . . . . . 75 LYS CB . 27537 1 337 . 1 1 75 75 LYS N N 15 124.540 0.200 . 1 . . . . . 75 LYS N . 27537 1 338 . 1 1 76 76 PRO C C 13 176.874 0.200 . 1 . . . . . 76 PRO C . 27537 1 339 . 1 1 76 76 PRO CA C 13 63.256 0.200 . 1 . . . . . 76 PRO CA . 27537 1 340 . 1 1 76 76 PRO CB C 13 32.175 0.200 . 1 . . . . . 76 PRO CB . 27537 1 341 . 1 1 76 76 PRO N N 15 137.423 0.200 . 1 . . . . . 76 PRO N . 27537 1 342 . 1 1 77 77 LYS C C 13 176.723 0.200 . 1 . . . . . 77 LYS C . 27537 1 343 . 1 1 77 77 LYS CA C 13 56.454 0.200 . 1 . . . . . 77 LYS CA . 27537 1 344 . 1 1 77 77 LYS CB C 13 33.086 0.200 . 1 . . . . . 77 LYS CB . 27537 1 345 . 1 1 77 77 LYS N N 15 122.488 0.200 . 1 . . . . . 77 LYS N . 27537 1 346 . 1 1 78 78 LYS C C 13 176.186 0.200 . 1 . . . . . 78 LYS C . 27537 1 347 . 1 1 78 78 LYS CA C 13 56.447 0.200 . 1 . . . . . 78 LYS CA . 27537 1 348 . 1 1 78 78 LYS CB C 13 33.277 0.200 . 1 . . . . . 78 LYS CB . 27537 1 349 . 1 1 78 78 LYS N N 15 123.421 0.200 . 1 . . . . . 78 LYS N . 27537 1 350 . 1 1 79 79 ALA C C 13 177.643 0.200 . 1 . . . . . 79 ALA C . 27537 1 351 . 1 1 79 79 ALA CA C 13 52.443 0.200 . 1 . . . . . 79 ALA CA . 27537 1 352 . 1 1 79 79 ALA CB C 13 19.338 0.200 . 1 . . . . . 79 ALA CB . 27537 1 353 . 1 1 79 79 ALA N N 15 126.460 0.200 . 1 . . . . . 79 ALA N . 27537 1 354 . 1 1 80 80 LYS H H 1 8.431 0.020 . 1 . . . . . 80 LYS H . 27537 1 355 . 1 1 80 80 LYS C C 13 176.794 0.200 . 1 . . . . . 80 LYS C . 27537 1 356 . 1 1 80 80 LYS CA C 13 56.536 0.200 . 1 . . . . . 80 LYS CA . 27537 1 357 . 1 1 80 80 LYS CB C 13 33.017 0.200 . 1 . . . . . 80 LYS CB . 27537 1 358 . 1 1 80 80 LYS N N 15 121.610 0.200 . 1 . . . . . 80 LYS N . 27537 1 359 . 1 1 81 81 THR H H 1 8.283 0.020 . 1 . . . . . 81 THR H . 27537 1 360 . 1 1 81 81 THR C C 13 174.305 0.200 . 1 . . . . . 81 THR C . 27537 1 361 . 1 1 81 81 THR CA C 13 61.999 0.200 . 1 . . . . . 81 THR CA . 27537 1 362 . 1 1 81 81 THR CB C 13 70.021 0.200 . 1 . . . . . 81 THR CB . 27537 1 363 . 1 1 81 81 THR N N 15 117.212 0.200 . 1 . . . . . 81 THR N . 27537 1 364 . 1 1 82 82 VAL H H 1 8.336 0.020 . 1 . . . . . 82 VAL H . 27537 1 365 . 1 1 82 82 VAL C C 13 175.828 0.200 . 1 . . . . . 82 VAL C . 27537 1 366 . 1 1 82 82 VAL CA C 13 62.220 0.200 . 1 . . . . . 82 VAL CA . 27537 1 367 . 1 1 82 82 VAL CB C 13 32.842 0.200 . 1 . . . . . 82 VAL CB . 27537 1 368 . 1 1 82 82 VAL N N 15 124.064 0.200 . 1 . . . . . 82 VAL N . 27537 1 369 . 1 1 83 83 LYS H H 1 8.497 0.020 . 1 . . . . . 83 LYS H . 27537 1 370 . 1 1 83 83 LYS C C 13 174.402 0.200 . 1 . . . . . 83 LYS C . 27537 1 371 . 1 1 83 83 LYS CA C 13 54.186 0.200 . 1 . . . . . 83 LYS CA . 27537 1 372 . 1 1 83 83 LYS CB C 13 32.542 0.200 . 1 . . . . . 83 LYS CB . 27537 1 373 . 1 1 83 83 LYS N N 15 127.495 0.200 . 1 . . . . . 83 LYS N . 27537 1 374 . 1 1 84 84 PRO C C 13 176.864 0.200 . 1 . . . . . 84 PRO C . 27537 1 375 . 1 1 84 84 PRO CA C 13 63.171 0.200 . 1 . . . . . 84 PRO CA . 27537 1 376 . 1 1 84 84 PRO CB C 13 32.203 0.200 . 1 . . . . . 84 PRO CB . 27537 1 377 . 1 1 84 84 PRO N N 15 137.168 0.200 . 1 . . . . . 84 PRO N . 27537 1 378 . 1 1 85 85 LYS C C 13 176.529 0.200 . 1 . . . . . 85 LYS C . 27537 1 379 . 1 1 85 85 LYS CA C 13 56.506 0.200 . 1 . . . . . 85 LYS CA . 27537 1 380 . 1 1 85 85 LYS CB C 13 32.995 0.200 . 1 . . . . . 85 LYS CB . 27537 1 381 . 1 1 85 85 LYS N N 15 122.244 0.200 . 1 . . . . . 85 LYS N . 27537 1 382 . 1 1 86 86 ALA C C 13 177.813 0.200 . 1 . . . . . 86 ALA C . 27537 1 383 . 1 1 86 86 ALA CA C 13 52.710 0.200 . 1 . . . . . 86 ALA CA . 27537 1 384 . 1 1 86 86 ALA CB C 13 19.227 0.200 . 1 . . . . . 86 ALA CB . 27537 1 385 . 1 1 86 86 ALA N N 15 126.033 0.200 . 1 . . . . . 86 ALA N . 27537 1 386 . 1 1 87 87 LYS H H 1 8.458 0.020 . 1 . . . . . 87 LYS H . 27537 1 387 . 1 1 87 87 LYS C C 13 176.914 0.200 . 1 . . . . . 87 LYS C . 27537 1 388 . 1 1 87 87 LYS CA C 13 56.645 0.200 . 1 . . . . . 87 LYS CA . 27537 1 389 . 1 1 87 87 LYS CB C 13 32.866 0.200 . 1 . . . . . 87 LYS CB . 27537 1 390 . 1 1 87 87 LYS N N 15 121.459 0.200 . 1 . . . . . 87 LYS N . 27537 1 391 . 1 1 88 88 SER H H 1 8.498 0.020 . 1 . . . . . 88 SER H . 27537 1 392 . 1 1 88 88 SER C C 13 174.842 0.200 . 1 . . . . . 88 SER C . 27537 1 393 . 1 1 88 88 SER CA C 13 58.475 0.200 . 1 . . . . . 88 SER CA . 27537 1 394 . 1 1 88 88 SER CB C 13 64.096 0.200 . 1 . . . . . 88 SER CB . 27537 1 395 . 1 1 88 88 SER N N 15 117.539 0.200 . 1 . . . . . 88 SER N . 27537 1 396 . 1 1 89 89 SER H H 1 8.453 0.020 . 1 . . . . . 89 SER H . 27537 1 397 . 1 1 89 89 SER C C 13 174.476 0.200 . 1 . . . . . 89 SER C . 27537 1 398 . 1 1 89 89 SER CA C 13 58.434 0.200 . 1 . . . . . 89 SER CA . 27537 1 399 . 1 1 89 89 SER CB C 13 63.952 0.200 . 1 . . . . . 89 SER CB . 27537 1 400 . 1 1 89 89 SER N N 15 118.426 0.200 . 1 . . . . . 89 SER N . 27537 1 401 . 1 1 90 90 ALA H H 1 8.337 0.020 . 1 . . . . . 90 ALA H . 27537 1 402 . 1 1 90 90 ALA C C 13 177.879 0.200 . 1 . . . . . 90 ALA C . 27537 1 403 . 1 1 90 90 ALA CA C 13 52.757 0.200 . 1 . . . . . 90 ALA CA . 27537 1 404 . 1 1 90 90 ALA CB C 13 19.029 0.200 . 1 . . . . . 90 ALA CB . 27537 1 405 . 1 1 90 90 ALA N N 15 126.229 0.200 . 1 . . . . . 90 ALA N . 27537 1 406 . 1 1 91 91 LYS H H 1 8.306 0.020 . 1 . . . . . 91 LYS H . 27537 1 407 . 1 1 91 91 LYS C C 13 176.825 0.200 . 1 . . . . . 91 LYS C . 27537 1 408 . 1 1 91 91 LYS CA C 13 56.523 0.200 . 1 . . . . . 91 LYS CA . 27537 1 409 . 1 1 91 91 LYS CB C 13 32.675 0.200 . 1 . . . . . 91 LYS CB . 27537 1 410 . 1 1 91 91 LYS N N 15 120.849 0.200 . 1 . . . . . 91 LYS N . 27537 1 411 . 1 1 92 92 ARG H H 1 8.374 0.020 . 1 . . . . . 92 ARG H . 27537 1 412 . 1 1 92 92 ARG C C 13 176.188 0.200 . 1 . . . . . 92 ARG C . 27537 1 413 . 1 1 92 92 ARG CA C 13 56.162 0.200 . 1 . . . . . 92 ARG CA . 27537 1 414 . 1 1 92 92 ARG CB C 13 30.811 0.200 . 1 . . . . . 92 ARG CB . 27537 1 415 . 1 1 92 92 ARG N N 15 122.777 0.200 . 1 . . . . . 92 ARG N . 27537 1 416 . 1 1 93 93 ALA H H 1 8.429 0.020 . 1 . . . . . 93 ALA H . 27537 1 417 . 1 1 93 93 ALA C C 13 177.872 0.200 . 1 . . . . . 93 ALA C . 27537 1 418 . 1 1 93 93 ALA CA C 13 52.532 0.200 . 1 . . . . . 93 ALA CA . 27537 1 419 . 1 1 93 93 ALA CB C 13 19.217 0.200 . 1 . . . . . 93 ALA CB . 27537 1 420 . 1 1 93 93 ALA N N 15 125.787 0.200 . 1 . . . . . 93 ALA N . 27537 1 421 . 1 1 94 94 SER H H 1 8.372 0.020 . 1 . . . . . 94 SER H . 27537 1 422 . 1 1 94 94 SER C C 13 174.794 0.200 . 1 . . . . . 94 SER C . 27537 1 423 . 1 1 94 94 SER CA C 13 58.750 0.200 . 1 . . . . . 94 SER CA . 27537 1 424 . 1 1 94 94 SER CB C 13 64.150 0.200 . 1 . . . . . 94 SER CB . 27537 1 425 . 1 1 94 94 SER N N 15 115.804 0.200 . 1 . . . . . 94 SER N . 27537 1 426 . 1 1 95 95 LYS C C 13 176.647 0.200 . 1 . . . . . 95 LYS C . 27537 1 427 . 1 1 95 95 LYS CA C 13 56.559 0.200 . 1 . . . . . 95 LYS CA . 27537 1 428 . 1 1 95 95 LYS CB C 13 32.655 0.200 . 1 . . . . . 95 LYS CB . 27537 1 429 . 1 1 95 95 LYS N N 15 123.812 0.200 . 1 . . . . . 95 LYS N . 27537 1 430 . 1 1 96 96 LYS H H 1 8.334 0.020 . 1 . . . . . 96 LYS H . 27537 1 431 . 1 1 96 96 LYS C C 13 176.565 0.200 . 1 . . . . . 96 LYS C . 27537 1 432 . 1 1 96 96 LYS N N 15 122.799 0.200 . 1 . . . . . 96 LYS N . 27537 1 433 . 1 1 98 98 ARG H H 1 8.435 0.020 . 1 . . . . . 98 ARG H . 27537 1 434 . 1 1 99 99 SER H H 1 8.473 0.020 . 1 . . . . . 99 SER H . 27537 1 stop_ save_