################################### # 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 50887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GeoHNH chemical shift list' _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' . . . 50887 1 2 '3D HNCA' . . . 50887 1 3 '3D HN(CO)CA' . . . 50887 1 4 '3D HNCACB' . . . 50887 1 5 '3D HN(CO)CACB' . . . 50887 1 6 '3D HN(CA)CO' . . . 50887 1 7 '3D HNCO' . . . 50887 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 . . 50887 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 6 6 VAL H H 1 7.719 0.020 . 1 . . . . . 6 VAL H . 50887 1 2 . 1 . 1 6 6 VAL CA C 13 66.585 0.3 . 1 . . . . . 6 VAL CA . 50887 1 3 . 1 . 1 6 6 VAL CB C 13 31.205 0.3 . 1 . . . . . 6 VAL CB . 50887 1 4 . 1 . 1 6 6 VAL N N 15 121.108 0.3 . 1 . . . . . 6 VAL N . 50887 1 5 . 1 . 1 7 7 LYS H H 1 8.663 0.020 . 1 . . . . . 7 LYS H . 50887 1 6 . 1 . 1 7 7 LYS C C 13 175.154 0.3 . 1 . . . . . 7 LYS C . 50887 1 7 . 1 . 1 7 7 LYS CA C 13 56.809 0.3 . 1 . . . . . 7 LYS CA . 50887 1 8 . 1 . 1 7 7 LYS CB C 13 35.580 0.3 . 1 . . . . . 7 LYS CB . 50887 1 9 . 1 . 1 7 7 LYS N N 15 117.658 0.3 . 1 . . . . . 7 LYS N . 50887 1 10 . 1 . 1 10 10 LEU H H 1 8.614 0.020 . 1 . . . . . 10 LEU H . 50887 1 11 . 1 . 1 10 10 LEU C C 13 178.203 0.3 . 1 . . . . . 10 LEU C . 50887 1 12 . 1 . 1 10 10 LEU CA C 13 57.819 0.3 . 1 . . . . . 10 LEU CA . 50887 1 13 . 1 . 1 10 10 LEU CB C 13 43.330 0.3 . 1 . . . . . 10 LEU CB . 50887 1 14 . 1 . 1 10 10 LEU N N 15 119.742 0.3 . 1 . . . . . 10 LEU N . 50887 1 15 . 1 . 1 11 11 TRP H H 1 8.447 0.020 . 1 . . . . . 11 TRP H . 50887 1 16 . 1 . 1 11 11 TRP C C 13 178.482 0.3 . 1 . . . . . 11 TRP C . 50887 1 17 . 1 . 1 11 11 TRP CA C 13 63.969 0.3 . 1 . . . . . 11 TRP CA . 50887 1 18 . 1 . 1 11 11 TRP CB C 13 29.094 0.3 . 1 . . . . . 11 TRP CB . 50887 1 19 . 1 . 1 11 11 TRP N N 15 119.484 0.3 . 1 . . . . . 11 TRP N . 50887 1 20 . 1 . 1 12 12 SER H H 1 8.379 0.020 . 1 . . . . . 12 SER H . 50887 1 21 . 1 . 1 12 12 SER C C 13 178.497 0.3 . 1 . . . . . 12 SER C . 50887 1 22 . 1 . 1 12 12 SER CA C 13 61.952 0.3 . 1 . . . . . 12 SER CA . 50887 1 23 . 1 . 1 12 12 SER CB C 13 63.047 0.3 . 1 . . . . . 12 SER CB . 50887 1 24 . 1 . 1 12 12 SER N N 15 112.940 0.3 . 1 . . . . . 12 SER N . 50887 1 25 . 1 . 1 14 14 GLN H H 1 7.463 0.020 . 1 . . . . . 14 GLN H . 50887 1 26 . 1 . 1 14 14 GLN C C 13 174.418 0.3 . 1 . . . . . 14 GLN C . 50887 1 27 . 1 . 1 14 14 GLN CA C 13 55.045 0.3 . 1 . . . . . 14 GLN CA . 50887 1 28 . 1 . 1 14 14 GLN CB C 13 28.256 0.3 . 1 . . . . . 14 GLN CB . 50887 1 29 . 1 . 1 14 14 GLN N N 15 112.352 0.3 . 1 . . . . . 14 GLN N . 50887 1 30 . 1 . 1 15 15 ASN H H 1 7.759 0.020 . 1 . . . . . 15 ASN H . 50887 1 31 . 1 . 1 15 15 ASN C C 13 175.640 0.3 . 1 . . . . . 15 ASN C . 50887 1 32 . 1 . 1 15 15 ASN CA C 13 54.029 0.3 . 1 . . . . . 15 ASN CA . 50887 1 33 . 1 . 1 15 15 ASN CB C 13 37.181 0.3 . 1 . . . . . 15 ASN CB . 50887 1 34 . 1 . 1 15 15 ASN N N 15 114.955 0.3 . 1 . . . . . 15 ASN N . 50887 1 35 . 1 . 1 16 16 GLY H H 1 8.017 0.020 . 1 . . . . . 16 GLY H . 50887 1 36 . 1 . 1 16 16 GLY C C 13 175.625 0.3 . 1 . . . . . 16 GLY C . 50887 1 37 . 1 . 1 16 16 GLY CA C 13 44.262 0.3 . 1 . . . . . 16 GLY CA . 50887 1 38 . 1 . 1 16 16 GLY N N 15 101.724 0.3 . 1 . . . . . 16 GLY N . 50887 1 39 . 1 . 1 17 17 ARG H H 1 6.702 0.020 . 1 . . . . . 17 ARG H . 50887 1 40 . 1 . 1 17 17 ARG C C 13 173.711 0.3 . 1 . . . . . 17 ARG C . 50887 1 41 . 1 . 1 17 17 ARG CA C 13 53.444 0.3 . 1 . . . . . 17 ARG CA . 50887 1 42 . 1 . 1 17 17 ARG CB C 13 32.468 0.3 . 1 . . . . . 17 ARG CB . 50887 1 43 . 1 . 1 17 17 ARG N N 15 116.883 0.3 . 1 . . . . . 17 ARG N . 50887 1 44 . 1 . 1 18 18 CYS H H 1 8.565 0.020 . 1 . . . . . 18 CYS H . 50887 1 45 . 1 . 1 18 18 CYS C C 13 177.363 0.3 . 1 . . . . . 18 CYS C . 50887 1 46 . 1 . 1 18 18 CYS CA C 13 61.189 0.3 . 1 . . . . . 18 CYS CA . 50887 1 47 . 1 . 1 18 18 CYS CB C 13 29.515 0.3 . 1 . . . . . 18 CYS CB . 50887 1 48 . 1 . 1 18 18 CYS N N 15 124.529 0.3 . 1 . . . . . 18 CYS N . 50887 1 49 . 1 . 1 19 19 ALA H H 1 6.907 0.020 . 1 . . . . . 19 ALA H . 50887 1 50 . 1 . 1 19 19 ALA C C 13 174.138 0.3 . 1 . . . . . 19 ALA C . 50887 1 51 . 1 . 1 19 19 ALA CA C 13 54.623 0.3 . 1 . . . . . 19 ALA CA . 50887 1 52 . 1 . 1 19 19 ALA CB C 13 18.142 0.3 . 1 . . . . . 19 ALA CB . 50887 1 53 . 1 . 1 19 19 ALA N N 15 129.007 0.3 . 1 . . . . . 19 ALA N . 50887 1 54 . 1 . 1 20 20 TYR H H 1 7.811 0.020 . 1 . . . . . 20 TYR H . 50887 1 55 . 1 . 1 20 20 TYR C C 13 177.334 0.3 . 1 . . . . . 20 TYR C . 50887 1 56 . 1 . 1 20 20 TYR CA C 13 54.960 0.3 . 1 . . . . . 20 TYR CA . 50887 1 57 . 1 . 1 20 20 TYR CB C 13 40.218 0.3 . 1 . . . . . 20 TYR CB . 50887 1 58 . 1 . 1 20 20 TYR N N 15 107.054 0.3 . 1 . . . . . 20 TYR N . 50887 1 59 . 1 . 1 21 21 SER H H 1 10.281 0.020 . 1 . . . . . 21 SER H . 50887 1 60 . 1 . 1 21 21 SER C C 13 175.507 0.3 . 1 . . . . . 21 SER C . 50887 1 61 . 1 . 1 21 21 SER CA C 13 59.594 0.3 . 1 . . . . . 21 SER CA . 50887 1 62 . 1 . 1 21 21 SER CB C 13 65.575 0.3 . 1 . . . . . 21 SER CB . 50887 1 63 . 1 . 1 21 21 SER N N 15 122.478 0.3 . 1 . . . . . 21 SER N . 50887 1 64 . 1 . 1 22 22 LEU H H 1 7.689 0.020 . 1 . . . . . 22 LEU H . 50887 1 65 . 1 . 1 22 22 LEU C C 13 175.449 0.3 . 1 . . . . . 22 LEU C . 50887 1 66 . 1 . 1 22 22 LEU CA C 13 56.392 0.3 . 1 . . . . . 22 LEU CA . 50887 1 67 . 1 . 1 22 22 LEU CB C 13 37.775 0.3 . 1 . . . . . 22 LEU CB . 50887 1 68 . 1 . 1 22 22 LEU N N 15 118.220 0.3 . 1 . . . . . 22 LEU N . 50887 1 69 . 1 . 1 25 25 ILE H H 1 8.687 0.020 . 1 . . . . . 25 ILE H . 50887 1 70 . 1 . 1 25 25 ILE C C 13 176.951 0.3 . 1 . . . . . 25 ILE C . 50887 1 71 . 1 . 1 25 25 ILE CA C 13 60.262 0.3 . 1 . . . . . 25 ILE CA . 50887 1 72 . 1 . 1 25 25 ILE CB C 13 39.624 0.3 . 1 . . . . . 25 ILE CB . 50887 1 73 . 1 . 1 25 25 ILE N N 15 122.808 0.3 . 1 . . . . . 25 ILE N . 50887 1 74 . 1 . 1 26 26 GLU H H 1 9.052 0.020 . 1 . . . . . 26 GLU H . 50887 1 75 . 1 . 1 26 26 GLU C C 13 177.820 0.3 . 1 . . . . . 26 GLU C . 50887 1 76 . 1 . 1 26 26 GLU CA C 13 56.729 0.3 . 1 . . . . . 26 GLU CA . 50887 1 77 . 1 . 1 26 26 GLU CB C 13 29.520 0.3 . 1 . . . . . 26 GLU CB . 50887 1 78 . 1 . 1 26 26 GLU N N 15 130.876 0.3 . 1 . . . . . 26 GLU N . 50887 1 79 . 1 . 1 27 27 ILE H H 1 8.950 0.020 . 1 . . . . . 27 ILE H . 50887 1 80 . 1 . 1 27 27 ILE C C 13 177.820 0.3 . 1 . . . . . 27 ILE C . 50887 1 81 . 1 . 1 27 27 ILE CA C 13 62.795 0.3 . 1 . . . . . 27 ILE CA . 50887 1 82 . 1 . 1 27 27 ILE CB C 13 36.849 0.3 . 1 . . . . . 27 ILE CB . 50887 1 83 . 1 . 1 27 27 ILE N N 15 129.207 0.3 . 1 . . . . . 27 ILE N . 50887 1 84 . 1 . 1 29 29 ARG H H 1 7.359 0.020 . 1 . . . . . 29 ARG H . 50887 1 85 . 1 . 1 29 29 ARG C C 13 175.964 0.3 . 1 . . . . . 29 ARG C . 50887 1 86 . 1 . 1 29 29 ARG CA C 13 54.960 0.3 . 1 . . . . . 29 ARG CA . 50887 1 87 . 1 . 1 29 29 ARG CB C 13 31.794 0.3 . 1 . . . . . 29 ARG CB . 50887 1 88 . 1 . 1 29 29 ARG N N 15 116.036 0.3 . 1 . . . . . 29 ARG N . 50887 1 89 . 1 . 1 30 30 LEU H H 1 7.204 0.020 . 1 . . . . . 30 LEU H . 50887 1 90 . 1 . 1 30 30 LEU C C 13 176.715 0.3 . 1 . . . . . 30 LEU C . 50887 1 91 . 1 . 1 30 30 LEU CA C 13 58.751 0.3 . 1 . . . . . 30 LEU CA . 50887 1 92 . 1 . 1 30 30 LEU CB C 13 43.082 0.3 . 1 . . . . . 30 LEU CB . 50887 1 93 . 1 . 1 30 30 LEU N N 15 119.118 0.3 . 1 . . . . . 30 LEU N . 50887 1 94 . 1 . 1 31 31 LEU H H 1 8.152 0.020 . 1 . . . . . 31 LEU H . 50887 1 95 . 1 . 1 31 31 LEU C C 13 177.422 0.3 . 1 . . . . . 31 LEU C . 50887 1 96 . 1 . 1 31 31 LEU CA C 13 52.517 0.3 . 1 . . . . . 31 LEU CA . 50887 1 97 . 1 . 1 31 31 LEU CB C 13 39.966 0.3 . 1 . . . . . 31 LEU CB . 50887 1 98 . 1 . 1 31 31 LEU N N 15 111.803 0.3 . 1 . . . . . 31 LEU N . 50887 1 99 . 1 . 1 32 32 GLU H H 1 8.013 0.020 . 1 . . . . . 32 GLU H . 50887 1 100 . 1 . 1 32 32 GLU C C 13 175.110 0.3 . 1 . . . . . 32 GLU C . 50887 1 101 . 1 . 1 32 32 GLU CA C 13 54.539 0.3 . 1 . . . . . 32 GLU CA . 50887 1 102 . 1 . 1 32 32 GLU CB C 13 31.120 0.3 . 1 . . . . . 32 GLU CB . 50887 1 103 . 1 . 1 32 32 GLU N N 15 126.167 0.3 . 1 . . . . . 32 GLU N . 50887 1 104 . 1 . 1 34 34 GLY H H 1 8.976 0.020 . 1 . . . . . 34 GLY H . 50887 1 105 . 1 . 1 34 34 GLY CA C 13 45.857 0.3 . 1 . . . . . 34 GLY CA . 50887 1 106 . 1 . 1 34 34 GLY N N 15 113.447 0.3 . 1 . . . . . 34 GLY N . 50887 1 107 . 1 . 1 35 35 TYR H H 1 7.892 0.020 . 1 . . . . . 35 TYR H . 50887 1 108 . 1 . 1 35 35 TYR C C 13 176.185 0.3 . 1 . . . . . 35 TYR C . 50887 1 109 . 1 . 1 35 35 TYR CA C 13 60.267 0.3 . 1 . . . . . 35 TYR CA . 50887 1 110 . 1 . 1 35 35 TYR CB C 13 39.966 0.3 . 1 . . . . . 35 TYR CB . 50887 1 111 . 1 . 1 35 35 TYR N N 15 123.962 0.3 . 1 . . . . . 35 TYR N . 50887 1 112 . 1 . 1 36 36 VAL H H 1 7.838 0.020 . 1 . . . . . 36 VAL H . 50887 1 113 . 1 . 1 36 36 VAL C C 13 174.800 0.3 . 1 . . . . . 36 VAL C . 50887 1 114 . 1 . 1 36 36 VAL CA C 13 58.414 0.3 . 1 . . . . . 36 VAL CA . 50887 1 115 . 1 . 1 36 36 VAL CB C 13 36.175 0.3 . 1 . . . . . 36 VAL CB . 50887 1 116 . 1 . 1 36 36 VAL N N 15 109.274 0.3 . 1 . . . . . 36 VAL N . 50887 1 117 . 1 . 1 37 37 GLU H H 1 9.125 0.020 . 1 . . . . . 37 GLU H . 50887 1 118 . 1 . 1 37 37 GLU C C 13 174.432 0.3 . 1 . . . . . 37 GLU C . 50887 1 119 . 1 . 1 37 37 GLU CA C 13 53.444 0.3 . 1 . . . . . 37 GLU CA . 50887 1 120 . 1 . 1 37 37 GLU CB C 13 34.911 0.3 . 1 . . . . . 37 GLU CB . 50887 1 121 . 1 . 1 37 37 GLU N N 15 118.479 0.3 . 1 . . . . . 37 GLU N . 50887 1 122 . 1 . 1 38 38 VAL H H 1 8.846 0.020 . 1 . . . . . 38 VAL H . 50887 1 123 . 1 . 1 38 38 VAL C C 13 174.432 0.3 . 1 . . . . . 38 VAL C . 50887 1 124 . 1 . 1 38 38 VAL CA C 13 62.537 0.3 . 1 . . . . . 38 VAL CA . 50887 1 125 . 1 . 1 38 38 VAL CB C 13 30.947 0.3 . 1 . . . . . 38 VAL CB . 50887 1 126 . 1 . 1 38 38 VAL N N 15 123.441 0.3 . 1 . . . . . 38 VAL N . 50887 1 127 . 1 . 1 39 39 ASP H H 1 9.504 0.020 . 1 . . . . . 39 ASP H . 50887 1 128 . 1 . 1 39 39 ASP C C 13 174.418 0.3 . 1 . . . . . 39 ASP C . 50887 1 129 . 1 . 1 39 39 ASP CA C 13 53.444 0.3 . 1 . . . . . 39 ASP CA . 50887 1 130 . 1 . 1 39 39 ASP CB C 13 47.126 0.3 . 1 . . . . . 39 ASP CB . 50887 1 131 . 1 . 1 39 39 ASP N N 15 131.805 0.3 . 1 . . . . . 39 ASP N . 50887 1 132 . 1 . 1 40 40 HIS H H 1 7.864 0.020 . 1 . . . . . 40 HIS H . 50887 1 133 . 1 . 1 40 40 HIS C C 13 174.874 0.3 . 1 . . . . . 40 HIS C . 50887 1 134 . 1 . 1 40 40 HIS CA C 13 56.303 0.3 . 1 . . . . . 40 HIS CA . 50887 1 135 . 1 . 1 40 40 HIS CB C 13 30.189 0.3 . 1 . . . . . 40 HIS CB . 50887 1 136 . 1 . 1 40 40 HIS N N 15 123.556 0.3 . 1 . . . . . 40 HIS N . 50887 1 137 . 1 . 1 44 44 TYR H H 1 9.102 0.020 . 1 . . . . . 44 TYR H . 50887 1 138 . 1 . 1 44 44 TYR C C 13 176.833 0.3 . 1 . . . . . 44 TYR C . 50887 1 139 . 1 . 1 44 44 TYR CA C 13 62.795 0.3 . 1 . . . . . 44 TYR CA . 50887 1 140 . 1 . 1 44 44 TYR CB C 13 37.944 0.3 . 1 . . . . . 44 TYR CB . 50887 1 141 . 1 . 1 44 44 TYR N N 15 128.634 0.3 . 1 . . . . . 44 TYR N . 50887 1 142 . 1 . 1 45 45 SER H H 1 8.993 0.020 . 1 . . . . . 45 SER H . 50887 1 143 . 1 . 1 45 45 SER CA C 13 60.936 0.3 . 1 . . . . . 45 SER CA . 50887 1 144 . 1 . 1 45 45 SER CB C 13 62.200 0.3 . 1 . . . . . 45 SER CB . 50887 1 145 . 1 . 1 45 45 SER N N 15 111.800 0.3 . 1 . . . . . 45 SER N . 50887 1 146 . 1 . 1 46 46 ARG H H 1 7.289 0.020 . 1 . . . . . 46 ARG H . 50887 1 147 . 1 . 1 46 46 ARG C C 13 176.170 0.3 . 1 . . . . . 46 ARG C . 50887 1 148 . 1 . 1 46 46 ARG CA C 13 57.066 0.3 . 1 . . . . . 46 ARG CA . 50887 1 149 . 1 . 1 46 46 ARG CB C 13 32.637 0.3 . 1 . . . . . 46 ARG CB . 50887 1 150 . 1 . 1 46 46 ARG N N 15 117.693 0.3 . 1 . . . . . 46 ARG N . 50887 1 151 . 1 . 1 47 47 SER H H 1 8.185 0.020 . 1 . . . . . 47 SER H . 50887 1 152 . 1 . 1 47 47 SER CA C 13 58.751 0.3 . 1 . . . . . 47 SER CA . 50887 1 153 . 1 . 1 47 47 SER CB C 13 65.575 0.3 . 1 . . . . . 47 SER CB . 50887 1 154 . 1 . 1 47 47 SER N N 15 111.803 0.3 . 1 . . . . . 47 SER N . 50887 1 155 . 1 . 1 48 48 LEU H H 1 9.061 0.020 . 1 . . . . . 48 LEU H . 50887 1 156 . 1 . 1 48 48 LEU C C 13 175.242 0.3 . 1 . . . . . 48 LEU C . 50887 1 157 . 1 . 1 48 48 LEU CA C 13 55.887 0.3 . 1 . . . . . 48 LEU CA . 50887 1 158 . 1 . 1 48 48 LEU CB C 13 38.618 0.3 . 1 . . . . . 48 LEU CB . 50887 1 159 . 1 . 1 48 48 LEU N N 15 122.964 0.3 . 1 . . . . . 48 LEU N . 50887 1 160 . 1 . 1 49 49 ASP H H 1 6.962 0.020 . 1 . . . . . 49 ASP H . 50887 1 161 . 1 . 1 49 49 ASP C C 13 175.183 0.3 . 1 . . . . . 49 ASP C . 50887 1 162 . 1 . 1 49 49 ASP CA C 13 52.854 0.3 . 1 . . . . . 49 ASP CA . 50887 1 163 . 1 . 1 49 49 ASP CB C 13 40.808 0.3 . 1 . . . . . 49 ASP CB . 50887 1 164 . 1 . 1 49 49 ASP N N 15 116.178 0.3 . 1 . . . . . 49 ASP N . 50887 1 165 . 1 . 1 50 50 ASP H H 1 9.124 0.020 . 1 . . . . . 50 ASP H . 50887 1 166 . 1 . 1 50 50 ASP C C 13 176.008 0.3 . 1 . . . . . 50 ASP C . 50887 1 167 . 1 . 1 50 50 ASP CA C 13 52.433 0.3 . 1 . . . . . 50 ASP CA . 50887 1 168 . 1 . 1 50 50 ASP CB C 13 42.156 0.3 . 1 . . . . . 50 ASP CB . 50887 1 169 . 1 . 1 50 50 ASP N N 15 126.833 0.3 . 1 . . . . . 50 ASP N . 50887 1 170 . 1 . 1 51 51 SER H H 1 8.729 0.020 . 1 . . . . . 51 SER H . 50887 1 171 . 1 . 1 51 51 SER C C 13 175.331 0.3 . 1 . . . . . 51 SER C . 50887 1 172 . 1 . 1 51 51 SER CA C 13 58.915 0.3 . 1 . . . . . 51 SER CA . 50887 1 173 . 1 . 1 51 51 SER CB C 13 65.570 0.3 . 1 . . . . . 51 SER CB . 50887 1 174 . 1 . 1 51 51 SER N N 15 116.883 0.3 . 1 . . . . . 51 SER N . 50887 1 175 . 1 . 1 53 53 THR H H 1 7.566 0.020 . 1 . . . . . 53 THR H . 50887 1 176 . 1 . 1 53 53 THR C C 13 171.236 0.3 . 1 . . . . . 53 THR C . 50887 1 177 . 1 . 1 53 53 THR CA C 13 64.311 0.3 . 1 . . . . . 53 THR CA . 50887 1 178 . 1 . 1 53 53 THR CB C 13 69.028 0.3 . 1 . . . . . 53 THR CB . 50887 1 179 . 1 . 1 53 53 THR N N 15 109.364 0.3 . 1 . . . . . 53 THR N . 50887 1 180 . 1 . 1 54 54 ASN H H 1 7.444 0.020 . 1 . . . . . 54 ASN H . 50887 1 181 . 1 . 1 54 54 ASN C C 13 174.580 0.3 . 1 . . . . . 54 ASN C . 50887 1 182 . 1 . 1 54 54 ASN CA C 13 50.917 0.3 . 1 . . . . . 54 ASN CA . 50887 1 183 . 1 . 1 54 54 ASN CB C 13 40.976 0.3 . 1 . . . . . 54 ASN CB . 50887 1 184 . 1 . 1 54 54 ASN N N 15 114.678 0.3 . 1 . . . . . 54 ASN N . 50887 1 185 . 1 . 1 55 55 LYS H H 1 7.035 0.020 . 1 . . . . . 55 LYS H . 50887 1 186 . 1 . 1 55 55 LYS C C 13 174.359 0.3 . 1 . . . . . 55 LYS C . 50887 1 187 . 1 . 1 55 55 LYS CA C 13 54.960 0.3 . 1 . . . . . 55 LYS CA . 50887 1 188 . 1 . 1 55 55 LYS CB C 13 36.764 0.3 . 1 . . . . . 55 LYS CB . 50887 1 189 . 1 . 1 55 55 LYS N N 15 118.654 0.3 . 1 . . . . . 55 LYS N . 50887 1 190 . 1 . 1 56 56 VAL H H 1 8.277 0.020 . 1 . . . . . 56 VAL H . 50887 1 191 . 1 . 1 56 56 VAL C C 13 173.401 0.3 . 1 . . . . . 56 VAL C . 50887 1 192 . 1 . 1 56 56 VAL CA C 13 59.594 0.3 . 1 . . . . . 56 VAL CA . 50887 1 193 . 1 . 1 56 56 VAL CB C 13 36.596 0.3 . 1 . . . . . 56 VAL CB . 50887 1 194 . 1 . 1 56 56 VAL N N 15 109.490 0.3 . 1 . . . . . 56 VAL N . 50887 1 195 . 1 . 1 57 57 LEU H H 1 10.240 0.020 . 1 . . . . . 57 LEU H . 50887 1 196 . 1 . 1 57 57 LEU C C 13 176.509 0.3 . 1 . . . . . 57 LEU C . 50887 1 197 . 1 . 1 57 57 LEU CA C 13 53.697 0.3 . 1 . . . . . 57 LEU CA . 50887 1 198 . 1 . 1 57 57 LEU CB C 13 45.441 0.3 . 1 . . . . . 57 LEU CB . 50887 1 199 . 1 . 1 57 57 LEU N N 15 125.201 0.3 . 1 . . . . . 57 LEU N . 50887 1 200 . 1 . 1 58 58 VAL H H 1 8.765 0.020 . 1 . . . . . 58 VAL H . 50887 1 201 . 1 . 1 58 58 VAL C C 13 175.596 0.3 . 1 . . . . . 58 VAL C . 50887 1 202 . 1 . 1 58 58 VAL CA C 13 57.235 0.3 . 1 . . . . . 58 VAL CA . 50887 1 203 . 1 . 1 58 58 VAL CB C 13 36.175 0.3 . 1 . . . . . 58 VAL CB . 50887 1 204 . 1 . 1 58 58 VAL N N 15 118.497 0.3 . 1 . . . . . 58 VAL N . 50887 1 205 . 1 . 1 59 59 LEU H H 1 9.546 0.020 . 1 . . . . . 59 LEU H . 50887 1 206 . 1 . 1 59 59 LEU C C 13 180.117 0.3 . 1 . . . . . 59 LEU C . 50887 1 207 . 1 . 1 59 59 LEU CA C 13 56.308 0.3 . 1 . . . . . 59 LEU CA . 50887 1 208 . 1 . 1 59 59 LEU CB C 13 41.482 0.3 . 1 . . . . . 59 LEU CB . 50887 1 209 . 1 . 1 59 59 LEU N N 15 124.243 0.3 . 1 . . . . . 59 LEU N . 50887 1 210 . 1 . 1 60 60 THR H H 1 7.823 0.020 . 1 . . . . . 60 THR H . 50887 1 211 . 1 . 1 60 60 THR C C 13 180.147 0.3 . 1 . . . . . 60 THR C . 50887 1 212 . 1 . 1 60 60 THR CA C 13 56.224 0.3 . 1 . . . . . 60 THR CA . 50887 1 213 . 1 . 1 60 60 THR CB C 13 68.776 0.3 . 1 . . . . . 60 THR CB . 50887 1 214 . 1 . 1 60 60 THR N N 15 121.122 0.3 . 1 . . . . . 60 THR N . 50887 1 215 . 1 . 1 61 61 ARG H H 1 9.122 0.020 . 1 . . . . . 61 ARG H . 50887 1 216 . 1 . 1 61 61 ARG C C 13 177.672 0.3 . 1 . . . . . 61 ARG C . 50887 1 217 . 1 . 1 61 61 ARG CA C 13 59.425 0.3 . 1 . . . . . 61 ARG CA . 50887 1 218 . 1 . 1 61 61 ARG CB C 13 29.520 0.3 . 1 . . . . . 61 ARG CB . 50887 1 219 . 1 . 1 61 61 ARG N N 15 118.912 0.3 . 1 . . . . . 61 ARG N . 50887 1 220 . 1 . 1 62 62 GLU H H 1 7.698 0.020 . 1 . . . . . 62 GLU H . 50887 1 221 . 1 . 1 62 62 GLU C C 13 177.893 0.3 . 1 . . . . . 62 GLU C . 50887 1 222 . 1 . 1 62 62 GLU CA C 13 57.819 0.3 . 1 . . . . . 62 GLU CA . 50887 1 223 . 1 . 1 62 62 GLU CB C 13 29.515 0.3 . 1 . . . . . 62 GLU CB . 50887 1 224 . 1 . 1 62 62 GLU N N 15 114.827 0.3 . 1 . . . . . 62 GLU N . 50887 1 225 . 1 . 1 63 63 ASN H H 1 6.888 0.020 . 1 . . . . . 63 ASN H . 50887 1 226 . 1 . 1 63 63 ASN C C 13 176.671 0.3 . 1 . . . . . 63 ASN C . 50887 1 227 . 1 . 1 63 63 ASN CA C 13 56.477 0.3 . 1 . . . . . 63 ASN CA . 50887 1 228 . 1 . 1 63 63 ASN CB C 13 40.892 0.3 . 1 . . . . . 63 ASN CB . 50887 1 229 . 1 . 1 63 63 ASN N N 15 115.787 0.3 . 1 . . . . . 63 ASN N . 50887 1 230 . 1 . 1 64 64 ARG H H 1 7.999 0.020 . 1 . . . . . 64 ARG H . 50887 1 231 . 1 . 1 64 64 ARG C C 13 178.718 0.3 . 1 . . . . . 64 ARG C . 50887 1 232 . 1 . 1 64 64 ARG CA C 13 58.414 0.3 . 1 . . . . . 64 ARG CA . 50887 1 233 . 1 . 1 64 64 ARG CB C 13 29.604 0.3 . 1 . . . . . 64 ARG CB . 50887 1 234 . 1 . 1 64 64 ARG N N 15 118.248 0.3 . 1 . . . . . 64 ARG N . 50887 1 235 . 1 . 1 65 65 GLU H H 1 8.209 0.020 . 1 . . . . . 65 GLU H . 50887 1 236 . 1 . 1 65 65 GLU C C 13 178.114 0.3 . 1 . . . . . 65 GLU C . 50887 1 237 . 1 . 1 65 65 GLU CA C 13 57.909 0.3 . 1 . . . . . 65 GLU CA . 50887 1 238 . 1 . 1 65 65 GLU CB C 13 29.436 0.3 . 1 . . . . . 65 GLU CB . 50887 1 239 . 1 . 1 65 65 GLU N N 15 117.141 0.3 . 1 . . . . . 65 GLU N . 50887 1 240 . 1 . 1 66 66 LYS H H 1 7.563 0.020 . 1 . . . . . 66 LYS H . 50887 1 241 . 1 . 1 66 66 LYS C C 13 178.365 0.3 . 1 . . . . . 66 LYS C . 50887 1 242 . 1 . 1 66 66 LYS CA C 13 60.267 0.3 . 1 . . . . . 66 LYS CA . 50887 1 243 . 1 . 1 66 66 LYS CB C 13 33.648 0.3 . 1 . . . . . 66 LYS CB . 50887 1 244 . 1 . 1 66 66 LYS N N 15 121.541 0.3 . 1 . . . . . 66 LYS N . 50887 1 245 . 1 . 1 67 67 GLY H H 1 7.300 0.020 . 1 . . . . . 67 GLY H . 50887 1 246 . 1 . 1 67 67 GLY C C 13 175.198 0.3 . 1 . . . . . 67 GLY C . 50887 1 247 . 1 . 1 67 67 GLY CA C 13 46.705 0.3 . 1 . . . . . 67 GLY CA . 50887 1 248 . 1 . 1 67 67 GLY N N 15 103.763 0.3 . 1 . . . . . 67 GLY N . 50887 1 249 . 1 . 1 72 72 ALA H H 1 9.599 0.020 . 1 . . . . . 72 ALA H . 50887 1 250 . 1 . 1 72 72 ALA C C 13 180.220 0.3 . 1 . . . . . 72 ALA C . 50887 1 251 . 1 . 1 72 72 ALA CA C 13 56.055 0.3 . 1 . . . . . 72 ALA CA . 50887 1 252 . 1 . 1 72 72 ALA CB C 13 19.242 0.3 . 1 . . . . . 72 ALA CB . 50887 1 253 . 1 . 1 72 72 ALA N N 15 119.056 0.3 . 1 . . . . . 72 ALA N . 50887 1 254 . 1 . 1 73 73 GLU H H 1 6.619 0.020 . 1 . . . . . 73 GLU H . 50887 1 255 . 1 . 1 73 73 GLU C C 13 177.643 0.3 . 1 . . . . . 73 GLU C . 50887 1 256 . 1 . 1 73 73 GLU CA C 13 57.488 0.3 . 1 . . . . . 73 GLU CA . 50887 1 257 . 1 . 1 73 73 GLU CB C 13 31.120 0.3 . 1 . . . . . 73 GLU CB . 50887 1 258 . 1 . 1 73 73 GLU N N 15 113.874 0.3 . 1 . . . . . 73 GLU N . 50887 1 259 . 1 . 1 74 74 TYR H H 1 7.722 0.020 . 1 . . . . . 74 TYR H . 50887 1 260 . 1 . 1 74 74 TYR C C 13 175.404 0.3 . 1 . . . . . 74 TYR C . 50887 1 261 . 1 . 1 74 74 TYR CA C 13 57.572 0.3 . 1 . . . . . 74 TYR CA . 50887 1 262 . 1 . 1 74 74 TYR CB C 13 40.134 0.3 . 1 . . . . . 74 TYR CB . 50887 1 263 . 1 . 1 74 74 TYR N N 15 118.376 0.3 . 1 . . . . . 74 TYR N . 50887 1 264 . 1 . 1 75 75 LEU H H 1 8.923 0.020 . 1 . . . . . 75 LEU H . 50887 1 265 . 1 . 1 75 75 LEU C C 13 177.908 0.3 . 1 . . . . . 75 LEU C . 50887 1 266 . 1 . 1 75 75 LEU CA C 13 56.224 0.3 . 1 . . . . . 75 LEU CA . 50887 1 267 . 1 . 1 75 75 LEU CB C 13 42.830 0.3 . 1 . . . . . 75 LEU CB . 50887 1 268 . 1 . 1 75 75 LEU N N 15 116.731 0.3 . 1 . . . . . 75 LEU N . 50887 1 269 . 1 . 1 76 76 GLY H H 1 6.958 0.020 . 1 . . . . . 76 GLY H . 50887 1 270 . 1 . 1 76 76 GLY C C 13 172.739 0.3 . 1 . . . . . 76 GLY C . 50887 1 271 . 1 . 1 76 76 GLY CA C 13 44.430 0.3 . 1 . . . . . 76 GLY CA . 50887 1 272 . 1 . 1 76 76 GLY N N 15 105.805 0.3 . 1 . . . . . 76 GLY N . 50887 1 273 . 1 . 1 77 77 VAL H H 1 8.097 0.020 . 1 . . . . . 77 VAL H . 50887 1 274 . 1 . 1 77 77 VAL C C 13 177.717 0.3 . 1 . . . . . 77 VAL C . 50887 1 275 . 1 . 1 77 77 VAL CA C 13 64.648 0.3 . 1 . . . . . 77 VAL CA . 50887 1 276 . 1 . 1 77 77 VAL CB C 13 30.531 0.3 . 1 . . . . . 77 VAL CB . 50887 1 277 . 1 . 1 77 77 VAL N N 15 125.906 0.3 . 1 . . . . . 77 VAL N . 50887 1 278 . 1 . 1 78 78 GLY H H 1 7.103 0.020 . 1 . . . . . 78 GLY H . 50887 1 279 . 1 . 1 78 78 GLY C C 13 174.786 0.3 . 1 . . . . . 78 GLY C . 50887 1 280 . 1 . 1 78 78 GLY CA C 13 45.020 0.3 . 1 . . . . . 78 GLY CA . 50887 1 281 . 1 . 1 78 78 GLY N N 15 113.189 0.3 . 1 . . . . . 78 GLY N . 50887 1 282 . 1 . 1 79 79 THR H H 1 7.758 0.020 . 1 . . . . . 79 THR H . 50887 1 283 . 1 . 1 79 79 THR C C 13 175.522 0.3 . 1 . . . . . 79 THR C . 50887 1 284 . 1 . 1 79 79 THR CA C 13 61.526 0.3 . 1 . . . . . 79 THR CA . 50887 1 285 . 1 . 1 79 79 THR CB C 13 72.140 0.3 . 1 . . . . . 79 THR CB . 50887 1 286 . 1 . 1 79 79 THR N N 15 110.777 0.3 . 1 . . . . . 79 THR N . 50887 1 287 . 1 . 1 81 81 ARG H H 1 8.277 0.020 . 1 . . . . . 81 ARG H . 50887 1 288 . 1 . 1 81 81 ARG C C 13 179.764 0.3 . 1 . . . . . 81 ARG C . 50887 1 289 . 1 . 1 81 81 ARG CA C 13 60.099 0.3 . 1 . . . . . 81 ARG CA . 50887 1 290 . 1 . 1 81 81 ARG CB C 13 29.857 0.3 . 1 . . . . . 81 ARG CB . 50887 1 291 . 1 . 1 81 81 ARG N N 15 116.883 0.3 . 1 . . . . . 81 ARG N . 50887 1 292 . 1 . 1 82 82 TRP H H 1 7.895 0.020 . 1 . . . . . 82 TRP H . 50887 1 293 . 1 . 1 82 82 TRP C C 13 176.332 0.3 . 1 . . . . . 82 TRP C . 50887 1 294 . 1 . 1 82 82 TRP CA C 13 60.183 0.3 . 1 . . . . . 82 TRP CA . 50887 1 295 . 1 . 1 82 82 TRP CB C 13 29.604 0.3 . 1 . . . . . 82 TRP CB . 50887 1 296 . 1 . 1 82 82 TRP N N 15 120.140 0.3 . 1 . . . . . 82 TRP N . 50887 1 297 . 1 . 1 83 83 GLN H H 1 8.533 0.020 . 1 . . . . . 83 GLN H . 50887 1 298 . 1 . 1 83 83 GLN C C 13 179.513 0.3 . 1 . . . . . 83 GLN C . 50887 1 299 . 1 . 1 83 83 GLN CA C 13 59.252 0.3 . 1 . . . . . 83 GLN CA . 50887 1 300 . 1 . 1 83 83 GLN CB C 13 28.420 0.3 . 1 . . . . . 83 GLN CB . 50887 1 301 . 1 . 1 83 83 GLN N N 15 117.559 0.3 . 1 . . . . . 83 GLN N . 50887 1 302 . 1 . 1 84 84 GLN H H 1 8.133 0.020 . 1 . . . . . 84 GLN H . 50887 1 303 . 1 . 1 84 84 GLN C C 13 178.585 0.3 . 1 . . . . . 84 GLN C . 50887 1 304 . 1 . 1 84 84 GLN CA C 13 58.920 0.3 . 1 . . . . . 84 GLN CA . 50887 1 305 . 1 . 1 84 84 GLN CB C 13 27.751 0.3 . 1 . . . . . 84 GLN CB . 50887 1 306 . 1 . 1 84 84 GLN N N 15 116.997 0.3 . 1 . . . . . 84 GLN N . 50887 1 307 . 1 . 1 85 85 PHE H H 1 7.807 0.020 . 1 . . . . . 85 PHE H . 50887 1 308 . 1 . 1 85 85 PHE C C 13 175.021 0.3 . 1 . . . . . 85 PHE C . 50887 1 309 . 1 . 1 85 85 PHE CA C 13 60.941 0.3 . 1 . . . . . 85 PHE CA . 50887 1 310 . 1 . 1 85 85 PHE CB C 13 40.050 0.3 . 1 . . . . . 85 PHE CB . 50887 1 311 . 1 . 1 85 85 PHE N N 15 124.009 0.3 . 1 . . . . . 85 PHE N . 50887 1 312 . 1 . 1 86 86 GLU H H 1 9.160 0.020 . 1 . . . . . 86 GLU H . 50887 1 313 . 1 . 1 86 86 GLU C C 13 177.893 0.3 . 1 . . . . . 86 GLU C . 50887 1 314 . 1 . 1 86 86 GLU CA C 13 59.678 0.3 . 1 . . . . . 86 GLU CA . 50887 1 315 . 1 . 1 86 86 GLU CB C 13 29.351 0.3 . 1 . . . . . 86 GLU CB . 50887 1 316 . 1 . 1 86 86 GLU N N 15 121.058 0.3 . 1 . . . . . 86 GLU N . 50887 1 317 . 1 . 1 87 87 THR H H 1 7.834 0.020 . 1 . . . . . 87 THR H . 50887 1 318 . 1 . 1 87 87 THR C C 13 177.893 0.3 . 1 . . . . . 87 THR C . 50887 1 319 . 1 . 1 87 87 THR CA C 13 67.007 0.3 . 1 . . . . . 87 THR CA . 50887 1 320 . 1 . 1 87 87 THR CB C 13 68.776 0.3 . 1 . . . . . 87 THR CB . 50887 1 321 . 1 . 1 87 87 THR N N 15 113.603 0.3 . 1 . . . . . 87 THR N . 50887 1 322 . 1 . 1 88 88 PHE H H 1 7.907 0.020 . 1 . . . . . 88 PHE H . 50887 1 323 . 1 . 1 88 88 PHE C C 13 176.317 0.3 . 1 . . . . . 88 PHE C . 50887 1 324 . 1 . 1 88 88 PHE CA C 13 60.352 0.3 . 1 . . . . . 88 PHE CA . 50887 1 325 . 1 . 1 88 88 PHE CB C 13 39.039 0.3 . 1 . . . . . 88 PHE CB . 50887 1 326 . 1 . 1 88 88 PHE N N 15 125.237 0.3 . 1 . . . . . 88 PHE N . 50887 1 327 . 1 . 1 89 89 VAL H H 1 8.493 0.020 . 1 . . . . . 89 VAL H . 50887 1 328 . 1 . 1 89 89 VAL C C 13 178.291 0.3 . 1 . . . . . 89 VAL C . 50887 1 329 . 1 . 1 89 89 VAL CA C 13 66.665 0.3 . 1 . . . . . 89 VAL CA . 50887 1 330 . 1 . 1 89 89 VAL CB C 13 31.789 0.3 . 1 . . . . . 89 VAL CB . 50887 1 331 . 1 . 1 89 89 VAL N N 15 119.088 0.3 . 1 . . . . . 89 VAL N . 50887 1 332 . 1 . 1 90 90 LEU H H 1 8.516 0.020 . 1 . . . . . 90 LEU H . 50887 1 333 . 1 . 1 90 90 LEU C C 13 179.396 0.3 . 1 . . . . . 90 LEU C . 50887 1 334 . 1 . 1 90 90 LEU CA C 13 57.488 0.3 . 1 . . . . . 90 LEU CA . 50887 1 335 . 1 . 1 90 90 LEU CB C 13 42.156 0.3 . 1 . . . . . 90 LEU CB . 50887 1 336 . 1 . 1 90 90 LEU N N 15 115.515 0.3 . 1 . . . . . 90 LEU N . 50887 1 337 . 1 . 1 91 91 THR H H 1 7.576 0.020 . 1 . . . . . 91 THR H . 50887 1 338 . 1 . 1 91 91 THR C C 13 174.197 0.3 . 1 . . . . . 91 THR C . 50887 1 339 . 1 . 1 91 91 THR CA C 13 62.121 0.3 . 1 . . . . . 91 THR CA . 50887 1 340 . 1 . 1 91 91 THR CB C 13 70.629 0.3 . 1 . . . . . 91 THR CB . 50887 1 341 . 1 . 1 91 91 THR N N 15 106.003 0.3 . 1 . . . . . 91 THR N . 50887 1 342 . 1 . 1 92 92 ASN H H 1 7.240 0.020 . 1 . . . . . 92 ASN H . 50887 1 343 . 1 . 1 92 92 ASN C C 13 176.273 0.3 . 1 . . . . . 92 ASN C . 50887 1 344 . 1 . 1 92 92 ASN CA C 13 53.186 0.3 . 1 . . . . . 92 ASN CA . 50887 1 345 . 1 . 1 92 92 ASN CB C 13 37.433 0.3 . 1 . . . . . 92 ASN CB . 50887 1 346 . 1 . 1 92 92 ASN N N 15 121.385 0.3 . 1 . . . . . 92 ASN N . 50887 1 347 . 1 . 1 93 93 LYS H H 1 8.678 0.020 . 1 . . . . . 93 LYS H . 50887 1 348 . 1 . 1 93 93 LYS C C 13 176.715 0.3 . 1 . . . . . 93 LYS C . 50887 1 349 . 1 . 1 93 93 LYS CA C 13 57.398 0.3 . 1 . . . . . 93 LYS CA . 50887 1 350 . 1 . 1 93 93 LYS N N 15 127.333 0.3 . 1 . . . . . 93 LYS N . 50887 1 351 . 1 . 1 94 94 GLN H H 1 7.937 0.020 . 1 . . . . . 94 GLN H . 50887 1 352 . 1 . 1 94 94 GLN C C 13 177.540 0.3 . 1 . . . . . 94 GLN C . 50887 1 353 . 1 . 1 94 94 GLN CA C 13 57.403 0.3 . 1 . . . . . 94 GLN CA . 50887 1 354 . 1 . 1 94 94 GLN CB C 13 29.604 0.3 . 1 . . . . . 94 GLN CB . 50887 1 355 . 1 . 1 94 94 GLN N N 15 115.234 0.3 . 1 . . . . . 94 GLN N . 50887 1 356 . 1 . 1 95 95 PHE H H 1 7.015 0.020 . 1 . . . . . 95 PHE H . 50887 1 357 . 1 . 1 95 95 PHE C C 13 176.715 0.3 . 1 . . . . . 95 PHE C . 50887 1 358 . 1 . 1 95 95 PHE CA C 13 55.803 0.3 . 1 . . . . . 95 PHE CA . 50887 1 359 . 1 . 1 95 95 PHE CB C 13 39.039 0.3 . 1 . . . . . 95 PHE CB . 50887 1 360 . 1 . 1 95 95 PHE N N 15 116.186 0.3 . 1 . . . . . 95 PHE N . 50887 1 361 . 1 . 1 98 98 LYS H H 1 8.139 0.020 . 1 . . . . . 98 LYS H . 50887 1 362 . 1 . 1 98 98 LYS C C 13 178.821 0.3 . 1 . . . . . 98 LYS C . 50887 1 363 . 1 . 1 98 98 LYS CA C 13 59.509 0.3 . 1 . . . . . 98 LYS CA . 50887 1 364 . 1 . 1 98 98 LYS CB C 13 32.805 0.3 . 1 . . . . . 98 LYS CB . 50887 1 365 . 1 . 1 98 98 LYS N N 15 115.500 0.3 . 1 . . . . . 98 LYS N . 50887 1 366 . 1 . 1 99 99 LYS H H 1 7.856 0.020 . 1 . . . . . 99 LYS H . 50887 1 367 . 1 . 1 99 99 LYS C C 13 177.982 0.3 . 1 . . . . . 99 LYS C . 50887 1 368 . 1 . 1 99 99 LYS CA C 13 60.267 0.3 . 1 . . . . . 99 LYS CA . 50887 1 369 . 1 . 1 99 99 LYS CB C 13 32.300 0.3 . 1 . . . . . 99 LYS CB . 50887 1 370 . 1 . 1 99 99 LYS N N 15 121.278 0.3 . 1 . . . . . 99 LYS N . 50887 1 371 . 1 . 1 100 100 ARG H H 1 8.374 0.020 . 1 . . . . . 100 ARG H . 50887 1 372 . 1 . 1 100 100 ARG C C 13 177.142 0.3 . 1 . . . . . 100 ARG C . 50887 1 373 . 1 . 1 100 100 ARG CA C 13 60.267 0.3 . 1 . . . . . 100 ARG CA . 50887 1 374 . 1 . 1 100 100 ARG CB C 13 29.772 0.3 . 1 . . . . . 100 ARG CB . 50887 1 375 . 1 . 1 100 100 ARG N N 15 118.789 0.3 . 1 . . . . . 100 ARG N . 50887 1 376 . 1 . 1 101 101 ASP H H 1 8.250 0.020 . 1 . . . . . 101 ASP H . 50887 1 377 . 1 . 1 101 101 ASP C C 13 179.013 0.3 . 1 . . . . . 101 ASP C . 50887 1 378 . 1 . 1 101 101 ASP CA C 13 56.561 0.3 . 1 . . . . . 101 ASP CA . 50887 1 379 . 1 . 1 101 101 ASP CB C 13 40.218 0.3 . 1 . . . . . 101 ASP CB . 50887 1 380 . 1 . 1 101 101 ASP N N 15 115.363 0.3 . 1 . . . . . 101 ASP N . 50887 1 381 . 1 . 1 102 102 ARG H H 1 7.413 0.020 . 1 . . . . . 102 ARG H . 50887 1 382 . 1 . 1 102 102 ARG C C 13 176.671 0.3 . 1 . . . . . 102 ARG C . 50887 1 383 . 1 . 1 102 102 ARG CA C 13 59.004 0.3 . 1 . . . . . 102 ARG CA . 50887 1 384 . 1 . 1 102 102 ARG CB C 13 29.941 0.3 . 1 . . . . . 102 ARG CB . 50887 1 385 . 1 . 1 102 102 ARG N N 15 119.059 0.3 . 1 . . . . . 102 ARG N . 50887 1 386 . 1 . 1 103 103 LEU H H 1 8.062 0.020 . 1 . . . . . 103 LEU H . 50887 1 387 . 1 . 1 103 103 LEU C C 13 178.144 0.3 . 1 . . . . . 103 LEU C . 50887 1 388 . 1 . 1 103 103 LEU CA C 13 58.667 0.3 . 1 . . . . . 103 LEU CA . 50887 1 389 . 1 . 1 103 103 LEU CB C 13 42.156 0.3 . 1 . . . . . 103 LEU CB . 50887 1 390 . 1 . 1 103 103 LEU N N 15 116.875 0.3 . 1 . . . . . 103 LEU N . 50887 1 391 . 1 . 1 104 104 LEU H H 1 7.417 0.020 . 1 . . . . . 104 LEU H . 50887 1 392 . 1 . 1 104 104 LEU C C 13 176.303 0.3 . 1 . . . . . 104 LEU C . 50887 1 393 . 1 . 1 104 104 LEU CA C 13 53.781 0.3 . 1 . . . . . 104 LEU CA . 50887 1 394 . 1 . 1 104 104 LEU CB C 13 40.892 0.3 . 1 . . . . . 104 LEU CB . 50887 1 395 . 1 . 1 104 104 LEU N N 15 112.496 0.3 . 1 . . . . . 104 LEU N . 50887 1 396 . 1 . 1 105 105 ARG H H 1 7.127 0.020 . 1 . . . . . 105 ARG H . 50887 1 397 . 1 . 1 105 105 ARG C C 13 176.818 0.3 . 1 . . . . . 105 ARG C . 50887 1 398 . 1 . 1 105 105 ARG CA C 13 56.729 0.3 . 1 . . . . . 105 ARG CA . 50887 1 399 . 1 . 1 105 105 ARG CB C 13 30.194 0.3 . 1 . . . . . 105 ARG CB . 50887 1 400 . 1 . 1 105 105 ARG N N 15 120.162 0.3 . 1 . . . . . 105 ARG N . 50887 1 401 . 1 . 1 106 106 LEU H H 1 8.408 0.020 . 1 . . . . . 106 LEU H . 50887 1 402 . 1 . 1 106 106 LEU C C 13 176.509 0.3 . 1 . . . . . 106 LEU C . 50887 1 403 . 1 . 1 106 106 LEU CA C 13 56.219 0.3 . 1 . . . . . 106 LEU CA . 50887 1 404 . 1 . 1 106 106 LEU CB C 13 42.488 0.3 . 1 . . . . . 106 LEU CB . 50887 1 405 . 1 . 1 106 106 LEU N N 15 121.136 0.3 . 1 . . . . . 106 LEU N . 50887 1 406 . 1 . 1 107 107 HIS H H 1 7.359 0.020 . 1 . . . . . 107 HIS H . 50887 1 407 . 1 . 1 107 107 HIS C C 13 173.372 0.3 . 1 . . . . . 107 HIS C . 50887 1 408 . 1 . 1 107 107 HIS CA C 13 54.618 0.3 . 1 . . . . . 107 HIS CA . 50887 1 409 . 1 . 1 107 107 HIS CB C 13 32.632 0.3 . 1 . . . . . 107 HIS CB . 50887 1 410 . 1 . 1 107 107 HIS N N 15 113.729 0.3 . 1 . . . . . 107 HIS N . 50887 1 411 . 1 . 1 108 108 TYR H H 1 8.379 0.020 . 1 . . . . . 108 TYR H . 50887 1 412 . 1 . 1 108 108 TYR C C 13 173.387 0.3 . 1 . . . . . 108 TYR C . 50887 1 413 . 1 . 1 108 108 TYR CA C 13 62.121 0.3 . 1 . . . . . 108 TYR CA . 50887 1 414 . 1 . 1 108 108 TYR CB C 13 41.482 0.3 . 1 . . . . . 108 TYR CB . 50887 1 415 . 1 . 1 108 108 TYR N N 15 126.869 0.3 . 1 . . . . . 108 TYR N . 50887 1 stop_ save_