################################### # 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 51341 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned Chemical shift' _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 0.39 _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 PANAV _Assigned_chem_shift_list.Details ; PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this standalone application tool, the chemical shifts may deviate from the reference database shifts as per the following: CO: -0.33 ppm CA: -1.49 ppm CB: 1.97 ppm N: 0.39 ppm ; _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 2 '3D HNCO' . . . 51341 1 3 '3D HNCA' . . . 51341 1 4 '3D HNCACB' . . . 51341 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 . . 51341 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 11 11 ILE H H 1 8.525 0.020 . 1 . . . . . 7 ILE H . 51341 1 2 . 1 . 1 11 11 ILE C C 13 177.742 0.3 . 1 . . . . . 7 ILE C . 51341 1 3 . 1 . 1 11 11 ILE CA C 13 64.052 0.3 . 1 . . . . . 7 ILE CA . 51341 1 4 . 1 . 1 11 11 ILE CB C 13 36.812 0.3 . 1 . . . . . 7 ILE CB . 51341 1 5 . 1 . 1 11 11 ILE CG1 C 13 27.520 0.3 . 1 . . . . . 7 ILE CG1 . 51341 1 6 . 1 . 1 11 11 ILE N N 15 117.426 0.3 . 1 . . . . . 7 ILE N . 51341 1 7 . 1 . 1 12 12 ASP H H 1 7.449 0.020 . 1 . . . . . 8 ASP H . 51341 1 8 . 1 . 1 12 12 ASP C C 13 179.001 0.3 . 1 . . . . . 8 ASP C . 51341 1 9 . 1 . 1 12 12 ASP CA C 13 55.291 0.3 . 1 . . . . . 8 ASP CA . 51341 1 10 . 1 . 1 12 12 ASP CB C 13 38.047 0.3 . 1 . . . . . 8 ASP CB . 51341 1 11 . 1 . 1 12 12 ASP N N 15 118.991 0.3 . 1 . . . . . 8 ASP N . 51341 1 12 . 1 . 1 13 13 LEU H H 1 7.699 0.020 . 1 . . . . . 9 LEU H . 51341 1 13 . 1 . 1 13 13 LEU C C 13 176.958 0.3 . 1 . . . . . 9 LEU C . 51341 1 14 . 1 . 1 13 13 LEU CA C 13 55.796 0.3 . 1 . . . . . 9 LEU CA . 51341 1 15 . 1 . 1 13 13 LEU CB C 13 40.069 0.3 . 1 . . . . . 9 LEU CB . 51341 1 16 . 1 . 1 13 13 LEU N N 15 122.345 0.3 . 1 . . . . . 9 LEU N . 51341 1 17 . 1 . 1 14 14 VAL H H 1 7.959 0.020 . 1 . . . . . 10 VAL H . 51341 1 18 . 1 . 1 14 14 VAL C C 13 177.742 0.3 . 1 . . . . . 10 VAL C . 51341 1 19 . 1 . 1 14 14 VAL CA C 13 60.289 0.3 . 1 . . . . . 10 VAL CA . 51341 1 20 . 1 . 1 14 14 VAL CB C 13 31.311 0.3 . 1 . . . . . 10 VAL CB . 51341 1 21 . 1 . 1 14 14 VAL N N 15 122.033 0.3 . 1 . . . . . 10 VAL N . 51341 1 22 . 1 . 1 15 15 LYS H H 1 8.611 0.020 . 1 . . . . . 11 LYS H . 51341 1 23 . 1 . 1 15 15 LYS C C 13 178.514 0.3 . 1 . . . . . 11 LYS C . 51341 1 24 . 1 . 1 15 15 LYS CA C 13 58.492 0.3 . 1 . . . . . 11 LYS CA . 51341 1 25 . 1 . 1 15 15 LYS CB C 13 30.577 0.3 . 1 . . . . . 11 LYS CB . 51341 1 26 . 1 . 1 15 15 LYS N N 15 120.855 0.3 . 1 . . . . . 11 LYS N . 51341 1 27 . 1 . 1 16 16 GLU H H 1 7.924 0.020 . 1 . . . . . 12 GLU H . 51341 1 28 . 1 . 1 16 16 GLU C C 13 179.882 0.3 . 1 . . . . . 12 GLU C . 51341 1 29 . 1 . 1 16 16 GLU CA C 13 56.751 0.3 . 1 . . . . . 12 GLU CA . 51341 1 30 . 1 . 1 16 16 GLU CB C 13 29.584 0.3 . 1 . . . . . 12 GLU CB . 51341 1 31 . 1 . 1 16 16 GLU N N 15 117.740 0.3 . 1 . . . . . 12 GLU N . 51341 1 32 . 1 . 1 17 17 ALA H H 1 8.559 0.020 . 1 . . . . . 13 ALA H . 51341 1 33 . 1 . 1 17 17 ALA C C 13 180.066 0.3 . 1 . . . . . 13 ALA C . 51341 1 34 . 1 . 1 17 17 ALA CA C 13 52.988 0.3 . 1 . . . . . 13 ALA CA . 51341 1 35 . 1 . 1 17 17 ALA CB C 13 17.153 0.3 . 1 . . . . . 13 ALA CB . 51341 1 36 . 1 . 1 17 17 ALA N N 15 123.289 0.3 . 1 . . . . . 13 ALA N . 51341 1 37 . 1 . 1 18 18 GLY H H 1 8.293 0.020 . 1 . . . . . 14 GLY H . 51341 1 38 . 1 . 1 18 18 GLY C C 13 172.303 0.3 . 1 . . . . . 14 GLY C . 51341 1 39 . 1 . 1 18 18 GLY CA C 13 42.484 0.3 . 1 . . . . . 14 GLY CA . 51341 1 40 . 1 . 1 18 18 GLY N N 15 102.807 0.3 . 1 . . . . . 14 GLY N . 51341 1 41 . 1 . 1 19 19 LYS H H 1 7.432 0.020 . 1 . . . . . 15 LYS H . 51341 1 42 . 1 . 1 19 19 LYS C C 13 176.781 0.3 . 1 . . . . . 15 LYS C . 51341 1 43 . 1 . 1 19 19 LYS CA C 13 54.729 0.3 . 1 . . . . . 15 LYS CA . 51341 1 44 . 1 . 1 19 19 LYS CB C 13 31.405 0.3 . 1 . . . . . 15 LYS CB . 51341 1 45 . 1 . 1 19 19 LYS N N 15 116.937 0.3 . 1 . . . . . 15 LYS N . 51341 1 46 . 1 . 1 20 20 TYR H H 1 8.138 0.020 . 1 . . . . . 16 TYR H . 51341 1 47 . 1 . 1 20 20 TYR C C 13 177.354 0.3 . 1 . . . . . 16 TYR C . 51341 1 48 . 1 . 1 20 20 TYR CA C 13 55.740 0.3 . 1 . . . . . 16 TYR CA . 51341 1 49 . 1 . 1 20 20 TYR CB C 13 37.542 0.3 . 1 . . . . . 16 TYR CB . 51341 1 50 . 1 . 1 20 20 TYR N N 15 116.838 0.3 . 1 . . . . . 16 TYR N . 51341 1 51 . 1 . 1 21 21 ASN H H 1 9.320 0.020 . 1 . . . . . 17 ASN H . 51341 1 52 . 1 . 1 21 21 ASN C C 13 175.412 0.3 . 1 . . . . . 17 ASN C . 51341 1 53 . 1 . 1 21 21 ASN CA C 13 52.651 0.3 . 1 . . . . . 17 ASN CA . 51341 1 54 . 1 . 1 21 21 ASN CB C 13 37.429 0.3 . 1 . . . . . 17 ASN CB . 51341 1 55 . 1 . 1 21 21 ASN N N 15 118.204 0.3 . 1 . . . . . 17 ASN N . 51341 1 56 . 1 . 1 22 22 SER H H 1 7.698 0.020 . 1 . . . . . 18 SER H . 51341 1 57 . 1 . 1 22 22 SER C C 13 173.958 0.3 . 1 . . . . . 18 SER C . 51341 1 58 . 1 . 1 22 22 SER CA C 13 54.560 0.3 . 1 . . . . . 18 SER CA . 51341 1 59 . 1 . 1 22 22 SER CB C 13 64.951 0.3 . 1 . . . . . 18 SER CB . 51341 1 60 . 1 . 1 22 22 SER N N 15 110.951 0.3 . 1 . . . . . 18 SER N . 51341 1 61 . 1 . 1 23 23 LYS H H 1 8.872 0.020 . 1 . . . . . 19 LYS H . 51341 1 62 . 1 . 1 23 23 LYS C C 13 178.337 0.3 . 1 . . . . . 19 LYS C . 51341 1 63 . 1 . 1 23 23 LYS CA C 13 57.987 0.3 . 1 . . . . . 19 LYS CA . 51341 1 64 . 1 . 1 23 23 LYS CB C 13 30.521 0.3 . 1 . . . . . 19 LYS CB . 51341 1 65 . 1 . 1 23 23 LYS N N 15 122.394 0.3 . 1 . . . . . 19 LYS N . 51341 1 66 . 1 . 1 24 24 ARG H H 1 8.199 0.020 . 1 . . . . . 20 ARG H . 51341 1 67 . 1 . 1 24 24 ARG C C 13 178.330 0.3 . 1 . . . . . 20 ARG C . 51341 1 68 . 1 . 1 24 24 ARG CA C 13 57.088 0.3 . 1 . . . . . 20 ARG CA . 51341 1 69 . 1 . 1 24 24 ARG CB C 13 27.207 0.3 . 1 . . . . . 20 ARG CB . 51341 1 70 . 1 . 1 24 24 ARG N N 15 119.580 0.3 . 1 . . . . . 20 ARG N . 51341 1 71 . 1 . 1 25 25 GLU H H 1 7.572 0.020 . 1 . . . . . 21 GLU H . 51341 1 72 . 1 . 1 25 25 GLU C C 13 179.115 0.3 . 1 . . . . . 21 GLU C . 51341 1 73 . 1 . 1 25 25 GLU CA C 13 58.099 0.3 . 1 . . . . . 21 GLU CA . 51341 1 74 . 1 . 1 25 25 GLU CB C 13 27.881 0.3 . 1 . . . . . 21 GLU CB . 51341 1 75 . 1 . 1 25 25 GLU N N 15 117.395 0.3 . 1 . . . . . 21 GLU N . 51341 1 76 . 1 . 1 26 26 ALA H H 1 6.825 0.020 . 1 . . . . . 22 ALA H . 51341 1 77 . 1 . 1 26 26 ALA C C 13 178.427 0.3 . 1 . . . . . 22 ALA C . 51341 1 78 . 1 . 1 26 26 ALA CA C 13 52.651 0.3 . 1 . . . . . 22 ALA CA . 51341 1 79 . 1 . 1 26 26 ALA CB C 13 16.929 0.3 . 1 . . . . . 22 ALA CB . 51341 1 80 . 1 . 1 26 26 ALA N N 15 121.542 0.3 . 1 . . . . . 22 ALA N . 51341 1 81 . 1 . 1 27 27 GLU H H 1 8.491 0.020 . 1 . . . . . 23 GLU H . 51341 1 82 . 1 . 1 27 27 GLU C C 13 179.973 0.3 . 1 . . . . . 23 GLU C . 51341 1 83 . 1 . 1 27 27 GLU CA C 13 58.324 0.3 . 1 . . . . . 23 GLU CA . 51341 1 84 . 1 . 1 27 27 GLU CB C 13 27.656 0.3 . 1 . . . . . 23 GLU CB . 51341 1 85 . 1 . 1 27 27 GLU N N 15 118.684 0.3 . 1 . . . . . 23 GLU N . 51341 1 86 . 1 . 1 28 28 GLU H H 1 8.369 0.020 . 1 . . . . . 24 GLU H . 51341 1 87 . 1 . 1 28 28 GLU C C 13 178.709 0.3 . 1 . . . . . 24 GLU C . 51341 1 88 . 1 . 1 28 28 GLU CA C 13 57.088 0.3 . 1 . . . . . 24 GLU CA . 51341 1 89 . 1 . 1 28 28 GLU CB C 13 26.982 0.3 . 1 . . . . . 24 GLU CB . 51341 1 90 . 1 . 1 28 28 GLU N N 15 119.289 0.3 . 1 . . . . . 24 GLU N . 51341 1 91 . 1 . 1 29 29 ALA H H 1 7.398 0.020 . 1 . . . . . 25 ALA H . 51341 1 92 . 1 . 1 29 29 ALA C C 13 179.782 0.3 . 1 . . . . . 25 ALA C . 51341 1 93 . 1 . 1 29 29 ALA CA C 13 53.549 0.3 . 1 . . . . . 25 ALA CA . 51341 1 94 . 1 . 1 29 29 ALA CB C 13 15.918 0.3 . 1 . . . . . 25 ALA CB . 51341 1 95 . 1 . 1 29 29 ALA N N 15 123.840 0.3 . 1 . . . . . 25 ALA N . 51341 1 96 . 1 . 1 30 30 ILE H H 1 7.721 0.020 . 1 . . . . . 26 ILE H . 51341 1 97 . 1 . 1 30 30 ILE C C 13 179.109 0.3 . 1 . . . . . 26 ILE C . 51341 1 98 . 1 . 1 30 30 ILE CA C 13 63.435 0.3 . 1 . . . . . 26 ILE CA . 51341 1 99 . 1 . 1 30 30 ILE CB C 13 37.092 0.3 . 1 . . . . . 26 ILE CB . 51341 1 100 . 1 . 1 30 30 ILE N N 15 116.899 0.3 . 1 . . . . . 26 ILE N . 51341 1 101 . 1 . 1 31 31 SER H H 1 8.219 0.020 . 1 . . . . . 27 SER H . 51341 1 102 . 1 . 1 31 31 SER C C 13 175.132 0.3 . 1 . . . . . 27 SER C . 51341 1 103 . 1 . 1 31 31 SER CA C 13 59.391 0.3 . 1 . . . . . 27 SER CA . 51341 1 104 . 1 . 1 31 31 SER CB C 13 60.851 0.3 . 1 . . . . . 27 SER CB . 51341 1 105 . 1 . 1 31 31 SER N N 15 116.115 0.3 . 1 . . . . . 27 SER N . 51341 1 106 . 1 . 1 32 32 ALA H H 1 8.424 0.020 . 1 . . . . . 28 ALA H . 51341 1 107 . 1 . 1 32 32 ALA C C 13 178.711 0.3 . 1 . . . . . 28 ALA C . 51341 1 108 . 1 . 1 32 32 ALA CA C 13 54.223 0.3 . 1 . . . . . 28 ALA CA . 51341 1 109 . 1 . 1 32 32 ALA CB C 13 16.648 0.3 . 1 . . . . . 28 ALA CB . 51341 1 110 . 1 . 1 32 32 ALA N N 15 122.746 0.3 . 1 . . . . . 28 ALA N . 51341 1 111 . 1 . 1 33 33 PHE H H 1 8.124 0.020 . 1 . . . . . 29 PHE H . 51341 1 112 . 1 . 1 33 33 PHE C C 13 176.958 0.3 . 1 . . . . . 29 PHE C . 51341 1 113 . 1 . 1 33 33 PHE CA C 13 62.311 0.3 . 1 . . . . . 29 PHE CA . 51341 1 114 . 1 . 1 33 33 PHE CB C 13 38.216 0.3 . 1 . . . . . 29 PHE CB . 51341 1 115 . 1 . 1 33 33 PHE N N 15 116.024 0.3 . 1 . . . . . 29 PHE N . 51341 1 116 . 1 . 1 34 34 THR H H 1 7.938 0.020 . 1 . . . . . 30 THR H . 51341 1 117 . 1 . 1 34 34 THR C C 13 176.822 0.3 . 1 . . . . . 30 THR C . 51341 1 118 . 1 . 1 34 34 THR CA C 13 61.581 0.3 . 1 . . . . . 30 THR CA . 51341 1 119 . 1 . 1 34 34 THR CB C 13 64.783 0.3 . 1 . . . . . 30 THR CB . 51341 1 120 . 1 . 1 34 34 THR N N 15 107.378 0.3 . 1 . . . . . 30 THR N . 51341 1 121 . 1 . 1 35 35 LEU H H 1 8.021 0.020 . 1 . . . . . 31 LEU H . 51341 1 122 . 1 . 1 35 35 LEU C C 13 180.564 0.3 . 1 . . . . . 31 LEU C . 51341 1 123 . 1 . 1 35 35 LEU CA C 13 57.809 0.3 . 1 . . . . . 31 LEU CA . 51341 1 124 . 1 . 1 35 35 LEU CB C 13 43.772 0.3 . 1 . . . . . 31 LEU CB . 51341 1 125 . 1 . 1 35 35 LEU N N 15 122.816 0.3 . 1 . . . . . 31 LEU N . 51341 1 126 . 1 . 1 36 36 ALA H H 1 7.898 0.020 . 1 . . . . . 32 ALA H . 51341 1 127 . 1 . 1 36 36 ALA C C 13 179.398 0.3 . 1 . . . . . 32 ALA C . 51341 1 128 . 1 . 1 36 36 ALA CA C 13 55.796 0.3 . 1 . . . . . 32 ALA CA . 51341 1 129 . 1 . 1 36 36 ALA CB C 13 17.140 0.3 . 1 . . . . . 32 ALA CB . 51341 1 130 . 1 . 1 36 36 ALA N N 15 124.066 0.3 . 1 . . . . . 32 ALA N . 51341 1 131 . 1 . 1 37 37 VAL H H 1 7.907 0.020 . 1 . . . . . 33 VAL H . 51341 1 132 . 1 . 1 37 37 VAL C C 13 178.617 0.3 . 1 . . . . . 33 VAL C . 51341 1 133 . 1 . 1 37 37 VAL CA C 13 65.064 0.3 . 1 . . . . . 33 VAL CA . 51341 1 134 . 1 . 1 37 37 VAL CB C 13 28.387 0.3 . 1 . . . . . 33 VAL CB . 51341 1 135 . 1 . 1 37 37 VAL N N 15 117.644 0.3 . 1 . . . . . 33 VAL N . 51341 1 136 . 1 . 1 38 38 GLU H H 1 8.176 0.020 . 1 . . . . . 34 GLU H . 51341 1 137 . 1 . 1 38 38 GLU C C 13 178.516 0.3 . 1 . . . . . 34 GLU C . 51341 1 138 . 1 . 1 38 38 GLU CA C 13 55.347 0.3 . 1 . . . . . 34 GLU CA . 51341 1 139 . 1 . 1 38 38 GLU CB C 13 27.488 0.3 . 1 . . . . . 34 GLU CB . 51341 1 140 . 1 . 1 38 38 GLU N N 15 116.911 0.3 . 1 . . . . . 34 GLU N . 51341 1 141 . 1 . 1 39 39 THR H H 1 8.471 0.020 . 1 . . . . . 35 THR H . 51341 1 142 . 1 . 1 39 39 THR C C 13 176.669 0.3 . 1 . . . . . 35 THR C . 51341 1 143 . 1 . 1 39 39 THR CA C 13 64.895 0.3 . 1 . . . . . 35 THR CA . 51341 1 144 . 1 . 1 39 39 THR CB C 13 66.580 0.3 . 1 . . . . . 35 THR CB . 51341 1 145 . 1 . 1 39 39 THR N N 15 116.582 0.3 . 1 . . . . . 35 THR N . 51341 1 146 . 1 . 1 40 40 ALA H H 1 8.406 0.020 . 1 . . . . . 36 ALA H . 51341 1 147 . 1 . 1 40 40 ALA C C 13 179.686 0.3 . 1 . . . . . 36 ALA C . 51341 1 148 . 1 . 1 40 40 ALA CA C 13 53.957 0.3 . 1 . . . . . 36 ALA CA . 51341 1 149 . 1 . 1 40 40 ALA CB C 13 16.592 0.3 . 1 . . . . . 36 ALA CB . 51341 1 150 . 1 . 1 40 40 ALA N N 15 125.275 0.3 . 1 . . . . . 36 ALA N . 51341 1 151 . 1 . 1 41 41 LEU H H 1 8.415 0.020 . 1 . . . . . 37 LEU H . 51341 1 152 . 1 . 1 41 41 LEU C C 13 181.726 0.3 . 1 . . . . . 37 LEU C . 51341 1 153 . 1 . 1 41 41 LEU CA C 13 52.875 0.3 . 1 . . . . . 37 LEU CA . 51341 1 154 . 1 . 1 41 41 LEU CB C 13 38.047 0.3 . 1 . . . . . 37 LEU CB . 51341 1 155 . 1 . 1 41 41 LEU N N 15 116.158 0.3 . 1 . . . . . 37 LEU N . 51341 1 156 . 1 . 1 42 42 SER H H 1 8.232 0.020 . 1 . . . . . 38 SER H . 51341 1 157 . 1 . 1 42 42 SER C C 13 174.995 0.3 . 1 . . . . . 38 SER C . 51341 1 158 . 1 . 1 42 42 SER CA C 13 59.335 0.3 . 1 . . . . . 38 SER CA . 51341 1 159 . 1 . 1 42 42 SER CB C 13 61.076 0.3 . 1 . . . . . 38 SER CB . 51341 1 160 . 1 . 1 42 42 SER N N 15 117.019 0.3 . 1 . . . . . 38 SER N . 51341 1 161 . 1 . 1 43 43 LYS H H 1 7.244 0.020 . 1 . . . . . 39 LYS H . 51341 1 162 . 1 . 1 43 43 LYS C C 13 176.958 0.3 . 1 . . . . . 39 LYS C . 51341 1 163 . 1 . 1 43 43 LYS CA C 13 53.830 0.3 . 1 . . . . . 39 LYS CA . 51341 1 164 . 1 . 1 43 43 LYS CB C 13 30.802 0.3 . 1 . . . . . 39 LYS CB . 51341 1 165 . 1 . 1 43 43 LYS N N 15 119.394 0.3 . 1 . . . . . 39 LYS N . 51341 1 166 . 1 . 1 44 44 GLY H H 1 7.934 0.020 . 1 . . . . . 40 GLY H . 51341 1 167 . 1 . 1 44 44 GLY C C 13 174.518 0.3 . 1 . . . . . 40 GLY C . 51341 1 168 . 1 . 1 44 44 GLY CA C 13 43.882 0.3 . 1 . . . . . 40 GLY CA . 51341 1 169 . 1 . 1 44 44 GLY N N 15 107.688 0.3 . 1 . . . . . 40 GLY N . 51341 1 170 . 1 . 1 45 45 GLU H H 1 7.776 0.020 . 1 . . . . . 41 GLU H . 51341 1 171 . 1 . 1 45 45 GLU C C 13 174.435 0.3 . 1 . . . . . 41 GLU C . 51341 1 172 . 1 . 1 45 45 GLU CA C 13 52.875 0.3 . 1 . . . . . 41 GLU CA . 51341 1 173 . 1 . 1 45 45 GLU CB C 13 28.724 0.3 . 1 . . . . . 41 GLU CB . 51341 1 174 . 1 . 1 45 45 GLU N N 15 120.317 0.3 . 1 . . . . . 41 GLU N . 51341 1 175 . 1 . 1 46 46 SER H H 1 8.195 0.020 . 1 . . . . . 42 SER H . 51341 1 176 . 1 . 1 46 46 SER C C 13 173.759 0.3 . 1 . . . . . 42 SER C . 51341 1 177 . 1 . 1 46 46 SER CA C 13 55.178 0.3 . 1 . . . . . 42 SER CA . 51341 1 178 . 1 . 1 46 46 SER CB C 13 63.772 0.3 . 1 . . . . . 42 SER CB . 51341 1 179 . 1 . 1 46 46 SER N N 15 113.593 0.3 . 1 . . . . . 42 SER N . 51341 1 180 . 1 . 1 47 47 VAL H H 1 8.764 0.020 . 1 . . . . . 43 VAL H . 51341 1 181 . 1 . 1 47 47 VAL C C 13 173.952 0.3 . 1 . . . . . 43 VAL C . 51341 1 182 . 1 . 1 47 47 VAL CA C 13 58.998 0.3 . 1 . . . . . 43 VAL CA . 51341 1 183 . 1 . 1 47 47 VAL CB C 13 34.340 0.3 . 1 . . . . . 43 VAL CB . 51341 1 184 . 1 . 1 47 47 VAL N N 15 119.697 0.3 . 1 . . . . . 43 VAL N . 51341 1 185 . 1 . 1 48 48 GLU H H 1 8.942 0.020 . 1 . . . . . 44 GLU H . 51341 1 186 . 1 . 1 48 48 GLU C C 13 174.447 0.3 . 1 . . . . . 44 GLU C . 51341 1 187 . 1 . 1 48 48 GLU CA C 13 53.662 0.3 . 1 . . . . . 44 GLU CA . 51341 1 188 . 1 . 1 48 48 GLU CB C 13 29.341 0.3 . 1 . . . . . 44 GLU CB . 51341 1 189 . 1 . 1 48 48 GLU N N 15 129.043 0.3 . 1 . . . . . 44 GLU N . 51341 1 190 . 1 . 1 49 49 LEU H H 1 8.770 0.020 . 1 . . . . . 45 LEU H . 51341 1 191 . 1 . 1 49 49 LEU C C 13 176.665 0.3 . 1 . . . . . 45 LEU C . 51341 1 192 . 1 . 1 49 49 LEU CA C 13 51.415 0.3 . 1 . . . . . 45 LEU CA . 51341 1 193 . 1 . 1 49 49 LEU CB C 13 40.462 0.3 . 1 . . . . . 45 LEU CB . 51341 1 194 . 1 . 1 49 49 LEU N N 15 129.859 0.3 . 1 . . . . . 45 LEU N . 51341 1 195 . 1 . 1 50 50 ILE H H 1 8.818 0.020 . 1 . . . . . 46 ILE H . 51341 1 196 . 1 . 1 50 50 ILE C C 13 177.649 0.3 . 1 . . . . . 46 ILE C . 51341 1 197 . 1 . 1 50 50 ILE CA C 13 61.918 0.3 . 1 . . . . . 46 ILE CA . 51341 1 198 . 1 . 1 50 50 ILE CB C 13 40.013 0.3 . 1 . . . . . 46 ILE CB . 51341 1 199 . 1 . 1 50 50 ILE N N 15 126.191 0.3 . 1 . . . . . 46 ILE N . 51341 1 200 . 1 . 1 51 51 GLY H H 1 9.044 0.020 . 1 . . . . . 47 GLY H . 51341 1 201 . 1 . 1 51 51 GLY C C 13 176.864 0.3 . 1 . . . . . 47 GLY C . 51341 1 202 . 1 . 1 51 51 GLY CA C 13 44.938 0.3 . 1 . . . . . 47 GLY CA . 51341 1 203 . 1 . 1 51 51 GLY N N 15 118.611 0.3 . 1 . . . . . 47 GLY N . 51341 1 204 . 1 . 1 52 52 PHE H H 1 8.164 0.020 . 1 . . . . . 48 PHE H . 51341 1 205 . 1 . 1 52 52 PHE C C 13 175.406 0.3 . 1 . . . . . 48 PHE C . 51341 1 206 . 1 . 1 52 52 PHE CA C 13 53.693 0.3 . 1 . . . . . 48 PHE CA . 51341 1 207 . 1 . 1 52 52 PHE CB C 13 38.946 0.3 . 1 . . . . . 48 PHE CB . 51341 1 208 . 1 . 1 52 52 PHE N N 15 123.248 0.3 . 1 . . . . . 48 PHE N . 51341 1 209 . 1 . 1 53 53 GLY H H 1 8.491 0.020 . 1 . . . . . 49 GLY H . 51341 1 210 . 1 . 1 53 53 GLY C C 13 170.257 0.3 . 1 . . . . . 49 GLY C . 51341 1 211 . 1 . 1 53 53 GLY CA C 13 43.664 0.3 . 1 . . . . . 49 GLY CA . 51341 1 212 . 1 . 1 53 53 GLY N N 15 105.466 0.3 . 1 . . . . . 49 GLY N . 51341 1 213 . 1 . 1 54 54 LYS H H 1 7.558 0.020 . 1 . . . . . 50 LYS H . 51341 1 214 . 1 . 1 54 54 LYS C C 13 175.407 0.3 . 1 . . . . . 50 LYS C . 51341 1 215 . 1 . 1 54 54 LYS CA C 13 53.568 0.3 . 1 . . . . . 50 LYS CA . 51341 1 216 . 1 . 1 54 54 LYS CB C 13 31.221 0.3 . 1 . . . . . 50 LYS CB . 51341 1 217 . 1 . 1 54 54 LYS N N 15 119.230 0.3 . 1 . . . . . 50 LYS N . 51341 1 218 . 1 . 1 55 55 PHE H H 1 9.322 0.020 . 1 . . . . . 51 PHE H . 51341 1 219 . 1 . 1 55 55 PHE C C 13 174.429 0.3 . 1 . . . . . 51 PHE C . 51341 1 220 . 1 . 1 55 55 PHE CA C 13 56.433 0.3 . 1 . . . . . 51 PHE CA . 51341 1 221 . 1 . 1 55 55 PHE CB C 13 41.938 0.3 . 1 . . . . . 51 PHE CB . 51341 1 222 . 1 . 1 55 55 PHE N N 15 123.977 0.3 . 1 . . . . . 51 PHE N . 51341 1 223 . 1 . 1 56 56 GLU H H 1 9.199 0.020 . 1 . . . . . 52 GLU H . 51341 1 224 . 1 . 1 56 56 GLU C C 13 173.954 0.3 . 1 . . . . . 52 GLU C . 51341 1 225 . 1 . 1 56 56 GLU CA C 13 52.816 0.3 . 1 . . . . . 52 GLU CA . 51341 1 226 . 1 . 1 56 56 GLU CB C 13 31.385 0.3 . 1 . . . . . 52 GLU CB . 51341 1 227 . 1 . 1 56 56 GLU N N 15 119.980 0.3 . 1 . . . . . 52 GLU N . 51341 1 228 . 1 . 1 57 57 THR H H 1 8.261 0.020 . 1 . . . . . 53 THR H . 51341 1 229 . 1 . 1 57 57 THR C C 13 173.855 0.3 . 1 . . . . . 53 THR C . 51341 1 230 . 1 . 1 57 57 THR CA C 13 58.297 0.3 . 1 . . . . . 53 THR CA . 51341 1 231 . 1 . 1 57 57 THR CB C 13 69.040 0.3 . 1 . . . . . 53 THR CB . 51341 1 232 . 1 . 1 57 57 THR N N 15 110.591 0.3 . 1 . . . . . 53 THR N . 51341 1 233 . 1 . 1 58 58 ALA H H 1 8.845 0.020 . 1 . . . . . 54 ALA H . 51341 1 234 . 1 . 1 58 58 ALA C C 13 175.993 0.3 . 1 . . . . . 54 ALA C . 51341 1 235 . 1 . 1 58 58 ALA CA C 13 48.596 0.3 . 1 . . . . . 54 ALA CA . 51341 1 236 . 1 . 1 58 58 ALA CB C 13 20.259 0.3 . 1 . . . . . 54 ALA CB . 51341 1 237 . 1 . 1 58 58 ALA N N 15 124.771 0.3 . 1 . . . . . 54 ALA N . 51341 1 238 . 1 . 1 59 59 GLU H H 1 8.517 0.020 . 1 . . . . . 55 GLU H . 51341 1 239 . 1 . 1 59 59 GLU C C 13 176.378 0.3 . 1 . . . . . 55 GLU C . 51341 1 240 . 1 . 1 59 59 GLU CA C 13 53.912 0.3 . 1 . . . . . 55 GLU CA . 51341 1 241 . 1 . 1 59 59 GLU CB C 13 28.809 0.3 . 1 . . . . . 55 GLU CB . 51341 1 242 . 1 . 1 59 59 GLU N N 15 120.361 0.3 . 1 . . . . . 55 GLU N . 51341 1 243 . 1 . 1 60 60 GLN H H 1 8.957 0.020 . 1 . . . . . 56 GLN H . 51341 1 244 . 1 . 1 60 60 GLN C C 13 175.407 0.3 . 1 . . . . . 56 GLN C . 51341 1 245 . 1 . 1 60 60 GLN CA C 13 55.021 0.3 . 1 . . . . . 56 GLN CA . 51341 1 246 . 1 . 1 60 60 GLN CB C 13 28.535 0.3 . 1 . . . . . 56 GLN CB . 51341 1 247 . 1 . 1 60 60 GLN N N 15 125.626 0.3 . 1 . . . . . 56 GLN N . 51341 1 248 . 1 . 1 61 61 LYS H H 1 8.574 0.020 . 1 . . . . . 57 LYS H . 51341 1 249 . 1 . 1 61 61 LYS C C 13 177.842 0.3 . 1 . . . . . 57 LYS C . 51341 1 250 . 1 . 1 61 61 LYS CA C 13 53.967 0.3 . 1 . . . . . 57 LYS CA . 51341 1 251 . 1 . 1 61 61 LYS CB C 13 30.947 0.3 . 1 . . . . . 57 LYS CB . 51341 1 252 . 1 . 1 61 61 LYS N N 15 126.035 0.3 . 1 . . . . . 57 LYS N . 51341 1 253 . 1 . 1 62 62 GLY H H 1 8.899 0.020 . 1 . . . . . 58 GLY H . 51341 1 254 . 1 . 1 62 62 GLY C C 13 173.857 0.3 . 1 . . . . . 58 GLY C . 51341 1 255 . 1 . 1 62 62 GLY CA C 13 43.224 0.3 . 1 . . . . . 58 GLY CA . 51341 1 256 . 1 . 1 62 62 GLY N N 15 111.518 0.3 . 1 . . . . . 58 GLY N . 51341 1 257 . 1 . 1 63 63 LYS H H 1 8.228 0.020 . 1 . . . . . 59 LYS H . 51341 1 258 . 1 . 1 63 63 LYS C C 13 176.379 0.3 . 1 . . . . . 59 LYS C . 51341 1 259 . 1 . 1 63 63 LYS CA C 13 53.857 0.3 . 1 . . . . . 59 LYS CA . 51341 1 260 . 1 . 1 63 63 LYS CB C 13 31.879 0.3 . 1 . . . . . 59 LYS CB . 51341 1 261 . 1 . 1 63 63 LYS N N 15 120.741 0.3 . 1 . . . . . 59 LYS N . 51341 1 262 . 1 . 1 64 64 GLU H H 1 8.452 0.020 . 1 . . . . . 60 GLU H . 51341 1 263 . 1 . 1 64 64 GLU C C 13 176.715 0.3 . 1 . . . . . 60 GLU C . 51341 1 264 . 1 . 1 64 64 GLU CA C 13 54.844 0.3 . 1 . . . . . 60 GLU CA . 51341 1 265 . 1 . 1 64 64 GLU CB C 13 28.645 0.3 . 1 . . . . . 60 GLU CB . 51341 1 266 . 1 . 1 64 64 GLU N N 15 121.795 0.3 . 1 . . . . . 60 GLU N . 51341 1 267 . 1 . 1 65 65 GLY H H 1 8.220 0.020 . 1 . . . . . 61 GLY H . 51341 1 268 . 1 . 1 65 65 GLY C C 13 173.082 0.3 . 1 . . . . . 61 GLY C . 51341 1 269 . 1 . 1 65 65 GLY CA C 13 43.005 0.3 . 1 . . . . . 61 GLY CA . 51341 1 270 . 1 . 1 65 65 GLY N N 15 110.486 0.3 . 1 . . . . . 61 GLY N . 51341 1 271 . 1 . 1 66 66 LYS H H 1 8.145 0.020 . 1 . . . . . 62 LYS H . 51341 1 272 . 1 . 1 66 66 LYS C C 13 176.864 0.3 . 1 . . . . . 62 LYS C . 51341 1 273 . 1 . 1 66 66 LYS CA C 13 54.022 0.3 . 1 . . . . . 62 LYS CA . 51341 1 274 . 1 . 1 66 66 LYS CB C 13 31.659 0.3 . 1 . . . . . 62 LYS CB . 51341 1 275 . 1 . 1 66 66 LYS N N 15 120.423 0.3 . 1 . . . . . 62 LYS N . 51341 1 276 . 1 . 1 67 67 VAL H H 1 8.341 0.020 . 1 . . . . . 63 VAL H . 51341 1 277 . 1 . 1 67 67 VAL C C 13 176.096 0.3 . 1 . . . . . 63 VAL C . 51341 1 278 . 1 . 1 67 67 VAL CA C 13 60.229 0.3 . 1 . . . . . 63 VAL CA . 51341 1 279 . 1 . 1 67 67 VAL CB C 13 30.701 0.3 . 1 . . . . . 63 VAL CB . 51341 1 280 . 1 . 1 67 67 VAL N N 15 123.346 0.3 . 1 . . . . . 63 VAL N . 51341 1 281 . 1 . 1 68 68 ALA H H 1 8.451 0.3 . 1 . . . . . 64 ALA H . 51341 1 282 . 1 . 1 68 68 ALA C C 13 178.429 0.3 . 1 . . . . . 64 ALA C . 51341 1 283 . 1 . 1 68 68 ALA CA C 13 50.898 0.3 . 1 . . . . . 64 ALA CA . 51341 1 284 . 1 . 1 68 68 ALA CB C 13 17.187 0.3 . 1 . . . . . 64 ALA CB . 51341 1 285 . 1 . 1 68 68 ALA N N 15 128.719 0.3 . 1 . . . . . 64 ALA N . 51341 1 286 . 1 . 1 69 69 GLY H H 1 8.398 0.020 . 1 . . . . . 65 GLY H . 51341 1 287 . 1 . 1 69 69 GLY C C 13 174.561 0.3 . 1 . . . . . 65 GLY C . 51341 1 288 . 1 . 1 69 69 GLY CA C 13 43.497 0.3 . 1 . . . . . 65 GLY CA . 51341 1 289 . 1 . 1 69 69 GLY N N 15 108.919 0.3 . 1 . . . . . 65 GLY N . 51341 1 290 . 1 . 1 70 70 SER H H 1 8.018 0.020 . 1 . . . . . 66 SER H . 51341 1 291 . 1 . 1 70 70 SER C C 13 174.051 0.3 . 1 . . . . . 66 SER C . 51341 1 292 . 1 . 1 70 70 SER CA C 13 55.995 0.3 . 1 . . . . . 66 SER CA . 51341 1 293 . 1 . 1 70 70 SER CB C 13 62.463 0.3 . 1 . . . . . 66 SER CB . 51341 1 294 . 1 . 1 70 70 SER N N 15 115.202 0.3 . 1 . . . . . 66 SER N . 51341 1 295 . 1 . 1 71 71 ASP H H 1 8.342 0.020 . 1 . . . . . 67 ASP H . 51341 1 296 . 1 . 1 71 71 ASP C C 13 176.525 0.3 . 1 . . . . . 67 ASP C . 51341 1 297 . 1 . 1 71 71 ASP CA C 13 52.323 0.3 . 1 . . . . . 67 ASP CA . 51341 1 298 . 1 . 1 71 71 ASP CB C 13 39.114 0.3 . 1 . . . . . 67 ASP CB . 51341 1 299 . 1 . 1 71 71 ASP N N 15 121.361 0.3 . 1 . . . . . 67 ASP N . 51341 1 300 . 1 . 1 72 72 LYS H H 1 8.129 0.020 . 1 . . . . . 68 LYS H . 51341 1 301 . 1 . 1 72 72 LYS C C 13 176.575 0.3 . 1 . . . . . 68 LYS C . 51341 1 302 . 1 . 1 72 72 LYS CA C 13 54.241 0.3 . 1 . . . . . 68 LYS CA . 51341 1 303 . 1 . 1 72 72 LYS CB C 13 31.056 0.3 . 1 . . . . . 68 LYS CB . 51341 1 304 . 1 . 1 72 72 LYS N N 15 120.845 0.3 . 1 . . . . . 68 LYS N . 51341 1 305 . 1 . 1 73 73 THR H H 1 8.107 0.020 . 1 . . . . . 69 THR H . 51341 1 306 . 1 . 1 73 73 THR C C 13 174.338 0.3 . 1 . . . . . 69 THR C . 51341 1 307 . 1 . 1 73 73 THR CA C 13 59.558 0.3 . 1 . . . . . 69 THR CA . 51341 1 308 . 1 . 1 73 73 THR CB C 13 68.327 0.3 . 1 . . . . . 69 THR CB . 51341 1 309 . 1 . 1 73 73 THR N N 15 114.333 0.3 . 1 . . . . . 69 THR N . 51341 1 310 . 1 . 1 74 74 TYR H H 1 8.226 0.020 . 1 . . . . . 70 TYR H . 51341 1 311 . 1 . 1 74 74 TYR C C 13 174.729 0.3 . 1 . . . . . 70 TYR C . 51341 1 312 . 1 . 1 74 74 TYR CA C 13 55.173 0.3 . 1 . . . . . 70 TYR CA . 51341 1 313 . 1 . 1 74 74 TYR CB C 13 37.579 0.3 . 1 . . . . . 70 TYR CB . 51341 1 314 . 1 . 1 74 74 TYR N N 15 121.812 0.3 . 1 . . . . . 70 TYR N . 51341 1 315 . 1 . 1 75 75 LYS H H 1 8.240 0.020 . 1 . . . . . 71 LYS H . 51341 1 316 . 1 . 1 75 75 LYS C C 13 176.491 0.3 . 1 . . . . . 71 LYS C . 51341 1 317 . 1 . 1 75 75 LYS CA C 13 53.912 0.3 . 1 . . . . . 71 LYS CA . 51341 1 318 . 1 . 1 75 75 LYS CB C 13 31.824 0.3 . 1 . . . . . 71 LYS CB . 51341 1 319 . 1 . 1 75 75 LYS N N 15 123.045 0.3 . 1 . . . . . 71 LYS N . 51341 1 320 . 1 . 1 76 76 THR H H 1 8.303 0.020 . 1 . . . . . 72 THR H . 51341 1 321 . 1 . 1 76 76 THR C C 13 174.344 0.3 . 1 . . . . . 72 THR C . 51341 1 322 . 1 . 1 76 76 THR CA C 13 59.503 0.3 . 1 . . . . . 72 THR CA . 51341 1 323 . 1 . 1 76 76 THR CB C 13 68.108 0.3 . 1 . . . . . 72 THR CB . 51341 1 324 . 1 . 1 76 76 THR N N 15 116.561 0.3 . 1 . . . . . 72 THR N . 51341 1 325 . 1 . 1 77 77 GLU H H 1 8.437 0.020 . 1 . . . . . 73 GLU H . 51341 1 326 . 1 . 1 77 77 GLU C C 13 175.962 0.3 . 1 . . . . . 73 GLU C . 51341 1 327 . 1 . 1 77 77 GLU CA C 13 56.627 0.3 . 1 . . . . . 73 GLU CA . 51341 1 328 . 1 . 1 77 77 GLU CB C 13 27.329 0.3 . 1 . . . . . 73 GLU CB . 51341 1 329 . 1 . 1 77 77 GLU N N 15 121.799 0.3 . 1 . . . . . 73 GLU N . 51341 1 330 . 1 . 1 78 78 ASP H H 1 8.349 0.020 . 1 . . . . . 74 ASP H . 51341 1 331 . 1 . 1 78 78 ASP C C 13 177.362 0.3 . 1 . . . . . 74 ASP C . 51341 1 332 . 1 . 1 78 78 ASP CA C 13 53.200 0.3 . 1 . . . . . 74 ASP CA . 51341 1 333 . 1 . 1 78 78 ASP CB C 13 39.059 0.3 . 1 . . . . . 74 ASP CB . 51341 1 334 . 1 . 1 78 78 ASP N N 15 120.875 0.3 . 1 . . . . . 74 ASP N . 51341 1 335 . 1 . 1 79 79 LYS H H 1 8.236 0.020 . 1 . . . . . 75 LYS H . 51341 1 336 . 1 . 1 79 79 LYS C C 13 176.466 0.3 . 1 . . . . . 75 LYS C . 51341 1 337 . 1 . 1 79 79 LYS CA C 13 54.077 0.3 . 1 . . . . . 75 LYS CA . 51341 1 338 . 1 . 1 79 79 LYS CB C 13 30.618 0.3 . 1 . . . . . 75 LYS CB . 51341 1 339 . 1 . 1 79 79 LYS N N 15 122.236 0.3 . 1 . . . . . 75 LYS N . 51341 1 340 . 1 . 1 80 80 ARG H H 1 8.010 0.020 . 1 . . . . . 76 ARG H . 51341 1 341 . 1 . 1 80 80 ARG C C 13 174.536 0.3 . 1 . . . . . 76 ARG C . 51341 1 342 . 1 . 1 80 80 ARG CA C 13 55.557 0.3 . 1 . . . . . 76 ARG CA . 51341 1 343 . 1 . 1 80 80 ARG CB C 13 28.645 0.3 . 1 . . . . . 76 ARG CB . 51341 1 344 . 1 . 1 80 80 ARG N N 15 120.069 0.3 . 1 . . . . . 76 ARG N . 51341 1 345 . 1 . 1 81 81 VAL H H 1 7.788 0.020 . 1 . . . . . 77 VAL H . 51341 1 346 . 1 . 1 81 81 VAL C C 13 176.498 0.3 . 1 . . . . . 77 VAL C . 51341 1 347 . 1 . 1 81 81 VAL CA C 13 65.432 0.3 . 1 . . . . . 77 VAL CA . 51341 1 348 . 1 . 1 81 81 VAL N N 15 120.243 0.3 . 1 . . . . . 77 VAL N . 51341 1 349 . 1 . 1 82 82 PRO C C 13 175.561 0.3 . 1 . . . . . 78 PRO C . 51341 1 350 . 1 . 1 82 82 PRO CA C 13 64.929 0.3 . 1 . . . . . 78 PRO CA . 51341 1 351 . 1 . 1 83 83 LYS H H 1 9.071 0.020 . 1 . . . . . 79 LYS H . 51341 1 352 . 1 . 1 83 83 LYS C C 13 173.970 0.3 . 1 . . . . . 79 LYS C . 51341 1 353 . 1 . 1 83 83 LYS CA C 13 53.474 0.3 . 1 . . . . . 79 LYS CA . 51341 1 354 . 1 . 1 83 83 LYS CB C 13 34.948 0.3 . 1 . . . . . 79 LYS CB . 51341 1 355 . 1 . 1 83 83 LYS N N 15 119.870 0.3 . 1 . . . . . 79 LYS N . 51341 1 356 . 1 . 1 84 84 PHE H H 1 8.620 0.020 . 1 . . . . . 80 PHE H . 51341 1 357 . 1 . 1 84 84 PHE C C 13 174.141 0.3 . 1 . . . . . 80 PHE C . 51341 1 358 . 1 . 1 84 84 PHE CA C 13 51.117 0.3 . 1 . . . . . 80 PHE CA . 51341 1 359 . 1 . 1 84 84 PHE CB C 13 39.168 0.3 . 1 . . . . . 80 PHE CB . 51341 1 360 . 1 . 1 84 84 PHE N N 15 121.734 0.3 . 1 . . . . . 80 PHE N . 51341 1 361 . 1 . 1 85 85 LYS H H 1 8.462 0.020 . 1 . . . . . 81 LYS H . 51341 1 362 . 1 . 1 85 85 LYS C C 13 173.545 0.3 . 1 . . . . . 81 LYS C . 51341 1 363 . 1 . 1 85 85 LYS CA C 13 51.561 0.3 . 1 . . . . . 81 LYS CA . 51341 1 364 . 1 . 1 85 85 LYS CB C 13 30.728 0.3 . 1 . . . . . 81 LYS CB . 51341 1 365 . 1 . 1 85 85 LYS N N 15 129.298 0.3 . 1 . . . . . 81 LYS N . 51341 1 366 . 1 . 1 86 86 PRO C C 13 175.473 0.3 . 1 . . . . . 82 PRO C . 51341 1 367 . 1 . 1 86 86 PRO CA C 13 63.633 0.3 . 1 . . . . . 82 PRO CA . 51341 1 368 . 1 . 1 87 87 GLY H H 1 8.102 0.020 . 1 . . . . . 83 GLY H . 51341 1 369 . 1 . 1 87 87 GLY C C 13 174.341 0.3 . 1 . . . . . 83 GLY C . 51341 1 370 . 1 . 1 87 87 GLY CA C 13 44.286 0.3 . 1 . . . . . 83 GLY CA . 51341 1 371 . 1 . 1 87 87 GLY N N 15 111.584 0.3 . 1 . . . . . 83 GLY N . 51341 1 372 . 1 . 1 88 88 LYS H H 1 8.505 0.020 . 1 . . . . . 84 LYS H . 51341 1 373 . 1 . 1 88 88 LYS C C 13 180.156 0.3 . 1 . . . . . 84 LYS C . 51341 1 374 . 1 . 1 88 88 LYS CA C 13 57.968 0.3 . 1 . . . . . 84 LYS CA . 51341 1 375 . 1 . 1 88 88 LYS CB C 13 30.892 0.3 . 1 . . . . . 84 LYS CB . 51341 1 376 . 1 . 1 88 88 LYS N N 15 117.603 0.3 . 1 . . . . . 84 LYS N . 51341 1 377 . 1 . 1 89 89 THR H H 1 8.287 0.020 . 1 . . . . . 85 THR H . 51341 1 378 . 1 . 1 89 89 THR C C 13 176.091 0.3 . 1 . . . . . 85 THR C . 51341 1 379 . 1 . 1 89 89 THR CA C 13 62.682 0.3 . 1 . . . . . 85 THR CA . 51341 1 380 . 1 . 1 89 89 THR CB C 13 66.902 0.3 . 1 . . . . . 85 THR CB . 51341 1 381 . 1 . 1 89 89 THR N N 15 119.572 0.3 . 1 . . . . . 85 THR N . 51341 1 382 . 1 . 1 90 90 LEU H H 1 7.293 0.020 . 1 . . . . . 86 LEU H . 51341 1 383 . 1 . 1 90 90 LEU C C 13 178.079 0.3 . 1 . . . . . 86 LEU C . 51341 1 384 . 1 . 1 90 90 LEU CA C 13 56.543 0.3 . 1 . . . . . 86 LEU CA . 51341 1 385 . 1 . 1 90 90 LEU N N 15 122.327 0.3 . 1 . . . . . 86 LEU N . 51341 1 386 . 1 . 1 91 91 LYS H H 1 8.211 0.020 . 1 . . . . . 87 LYS H . 51341 1 387 . 1 . 1 91 91 LYS C C 13 178.832 0.3 . 1 . . . . . 87 LYS C . 51341 1 388 . 1 . 1 91 91 LYS CA C 13 54.707 0.3 . 1 . . . . . 87 LYS CA . 51341 1 389 . 1 . 1 91 91 LYS CB C 13 31.988 0.3 . 1 . . . . . 87 LYS CB . 51341 1 390 . 1 . 1 91 91 LYS N N 15 114.867 0.3 . 1 . . . . . 87 LYS N . 51341 1 391 . 1 . 1 92 92 GLN H H 1 7.948 0.020 . 1 . . . . . 88 GLN H . 51341 1 392 . 1 . 1 92 92 GLN C C 13 177.716 0.3 . 1 . . . . . 88 GLN C . 51341 1 393 . 1 . 1 92 92 GLN CA C 13 57.086 0.3 . 1 . . . . . 88 GLN CA . 51341 1 394 . 1 . 1 92 92 GLN CB C 13 26.233 0.3 . 1 . . . . . 88 GLN CB . 51341 1 395 . 1 . 1 92 92 GLN N N 15 120.018 0.3 . 1 . . . . . 88 GLN N . 51341 1 396 . 1 . 1 93 93 LYS H H 1 8.255 0.020 . 1 . . . . . 89 LYS H . 51341 1 397 . 1 . 1 93 93 LYS C C 13 179.587 0.3 . 1 . . . . . 89 LYS C . 51341 1 398 . 1 . 1 93 93 LYS CA C 13 54.208 0.3 . 1 . . . . . 89 LYS CA . 51341 1 399 . 1 . 1 93 93 LYS CB C 13 30.563 0.3 . 1 . . . . . 89 LYS CB . 51341 1 400 . 1 . 1 93 93 LYS N N 15 117.335 0.3 . 1 . . . . . 89 LYS N . 51341 1 401 . 1 . 1 94 94 VAL H H 1 7.695 0.020 . 1 . . . . . 90 VAL H . 51341 1 402 . 1 . 1 94 94 VAL C C 13 176.863 0.3 . 1 . . . . . 90 VAL C . 51341 1 403 . 1 . 1 94 94 VAL CA C 13 60.189 0.3 . 1 . . . . . 90 VAL CA . 51341 1 404 . 1 . 1 94 94 VAL CB C 13 34.016 0.3 . 1 . . . . . 90 VAL CB . 51341 1 405 . 1 . 1 94 94 VAL N N 15 116.270 0.3 . 1 . . . . . 90 VAL N . 51341 1 406 . 1 . 1 95 95 GLU H H 1 8.160 0.020 . 1 . . . . . 91 GLU H . 51341 1 407 . 1 . 1 95 95 GLU C C 13 176.775 0.3 . 1 . . . . . 91 GLU C . 51341 1 408 . 1 . 1 95 95 GLU CA C 13 54.374 0.3 . 1 . . . . . 91 GLU CA . 51341 1 409 . 1 . 1 95 95 GLU CB C 13 30.837 0.3 . 1 . . . . . 91 GLU CB . 51341 1 410 . 1 . 1 95 95 GLU N N 15 121.878 0.3 . 1 . . . . . 91 GLU N . 51341 1 411 . 1 . 1 96 96 GLU H H 1 8.137 0.020 . 1 . . . . . 92 GLU H . 51341 1 412 . 1 . 1 96 96 GLU C C 13 177.789 0.3 . 1 . . . . . 92 GLU C . 51341 1 413 . 1 . 1 96 96 GLU CA C 13 60.106 0.3 . 1 . . . . . 92 GLU CA . 51341 1 414 . 1 . 1 96 96 GLU CB C 13 28.426 0.3 . 1 . . . . . 92 GLU CB . 51341 1 415 . 1 . 1 96 96 GLU N N 15 117.101 0.3 . 1 . . . . . 92 GLU N . 51341 1 416 . 1 . 1 97 97 GLY H H 1 7.774 0.020 . 1 . . . . . 93 GLY H . 51341 1 417 . 1 . 1 97 97 GLY C C 13 173.276 0.3 . 1 . . . . . 93 GLY C . 51341 1 418 . 1 . 1 97 97 GLY CA C 13 43.992 0.3 . 1 . . . . . 93 GLY CA . 51341 1 419 . 1 . 1 97 97 GLY N N 15 108.230 0.3 . 1 . . . . . 93 GLY N . 51341 1 420 . 1 . 1 98 98 LYS H H 1 7.624 0.020 . 1 . . . . . 94 LYS H . 51341 1 421 . 1 . 1 98 98 LYS C C 13 180.958 0.3 . 1 . . . . . 94 LYS C . 51341 1 422 . 1 . 1 98 98 LYS CA C 13 55.502 0.3 . 1 . . . . . 94 LYS CA . 51341 1 423 . 1 . 1 98 98 LYS CB C 13 31.769 0.3 . 1 . . . . . 94 LYS CB . 51341 1 424 . 1 . 1 98 98 LYS N N 15 124.568 0.3 . 1 . . . . . 94 LYS N . 51341 1 stop_ save_