################################### # 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 28091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28091 1 2 '3D HNCA' . . . 28091 1 3 '3D HN(CO)CA' . . . 28091 1 4 '3D HNCACB' . . . 28091 1 5 '3D CBCA(CO)NH' . . . 28091 1 6 '3D HNCO' . . . 28091 1 7 '3D HCACO' . . . 28091 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 . . 28091 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 4 4 PRO C C 13 173.852 0.3 . 1 . . . . . 4 PRO C . 28091 1 2 . 1 . 1 4 4 PRO CA C 13 63.02 0.3 . 1 . . . . . 4 PRO CA . 28091 1 3 . 1 . 1 5 5 MET H H 1 8.365 0.020 . 1 . . . . . 5 MET H . 28091 1 4 . 1 . 1 5 5 MET C C 13 173.25 0.3 . 1 . . . . . 5 MET C . 28091 1 5 . 1 . 1 5 5 MET CA C 13 55.447 0.3 . 1 . . . . . 5 MET CA . 28091 1 6 . 1 . 1 5 5 MET N N 15 120.763 0.3 . 1 . . . . . 5 MET N . 28091 1 7 . 1 . 1 6 6 SER H H 1 8.197 0.020 . 1 . . . . . 6 SER H . 28091 1 8 . 1 . 1 6 6 SER C C 13 170.161 0.3 . 1 . . . . . 6 SER C . 28091 1 9 . 1 . 1 6 6 SER CA C 13 56.294 0.3 . 1 . . . . . 6 SER CA . 28091 1 10 . 1 . 1 6 6 SER N N 15 118.653 0.3 . 1 . . . . . 6 SER N . 28091 1 11 . 1 . 1 7 7 PRO C C 13 173.91 0.3 . 1 . . . . . 7 PRO C . 28091 1 12 . 1 . 1 7 7 PRO CA C 13 63.413 0.3 . 1 . . . . . 7 PRO CA . 28091 1 13 . 1 . 1 8 8 LEU H H 1 8.002 0.020 . 1 . . . . . 8 LEU H . 28091 1 14 . 1 . 1 8 8 LEU C C 13 174.378 0.3 . 1 . . . . . 8 LEU C . 28091 1 15 . 1 . 1 8 8 LEU CA C 13 55.433 0.3 . 1 . . . . . 8 LEU CA . 28091 1 16 . 1 . 1 8 8 LEU N N 15 120.971 0.3 . 1 . . . . . 8 LEU N . 28091 1 17 . 1 . 1 9 9 MET H H 1 7.99 0.020 . 1 . . . . . 9 MET H . 28091 1 18 . 1 . 1 9 9 MET C C 13 172.603 0.3 . 1 . . . . . 9 MET C . 28091 1 19 . 1 . 1 9 9 MET CA C 13 55.191 0.3 . 1 . . . . . 9 MET CA . 28091 1 20 . 1 . 1 9 9 MET N N 15 120.429 0.3 . 1 . . . . . 9 MET N . 28091 1 21 . 1 . 1 10 10 HIS H H 1 8.05 0.020 . 1 . . . . . 10 HIS H . 28091 1 22 . 1 . 1 10 10 HIS C C 13 170.232 0.3 . 1 . . . . . 10 HIS C . 28091 1 23 . 1 . 1 10 10 HIS CA C 13 54.212 0.3 . 1 . . . . . 10 HIS CA . 28091 1 24 . 1 . 1 10 10 HIS N N 15 121.137 0.3 . 1 . . . . . 10 HIS N . 28091 1 25 . 1 . 1 11 11 PRO C C 13 173.904 0.3 . 1 . . . . . 11 PRO C . 28091 1 26 . 1 . 1 11 11 PRO CA C 13 63.201 0.3 . 1 . . . . . 11 PRO CA . 28091 1 27 . 1 . 1 12 12 ARG H H 1 8.477 0.020 . 1 . . . . . 12 ARG H . 28091 1 28 . 1 . 1 12 12 ARG C C 13 173.628 0.3 . 1 . . . . . 12 ARG C . 28091 1 29 . 1 . 1 12 12 ARG CA C 13 56.297 0.3 . 1 . . . . . 12 ARG CA . 28091 1 30 . 1 . 1 12 12 ARG N N 15 121.919 0.3 . 1 . . . . . 12 ARG N . 28091 1 31 . 1 . 1 13 13 VAL H H 1 8.063 0.020 . 1 . . . . . 13 VAL H . 28091 1 32 . 1 . 1 13 13 VAL C C 13 173.192 0.3 . 1 . . . . . 13 VAL C . 28091 1 33 . 1 . 1 13 13 VAL CA C 13 62.508 0.3 . 1 . . . . . 13 VAL CA . 28091 1 34 . 1 . 1 13 13 VAL N N 15 122.051 0.3 . 1 . . . . . 13 VAL N . 28091 1 35 . 1 . 1 14 14 LYS H H 1 8.244 0.020 . 1 . . . . . 14 LYS H . 28091 1 36 . 1 . 1 14 14 LYS C C 13 173.352 0.3 . 1 . . . . . 14 LYS C . 28091 1 37 . 1 . 1 14 14 LYS CA C 13 56.514 0.3 . 1 . . . . . 14 LYS CA . 28091 1 38 . 1 . 1 14 14 LYS N N 15 125.52 0.3 . 1 . . . . . 14 LYS N . 28091 1 39 . 1 . 1 15 15 GLU H H 1 8.283 0.020 . 1 . . . . . 15 GLU H . 28091 1 40 . 1 . 1 15 15 GLU C C 13 173.276 0.3 . 1 . . . . . 15 GLU C . 28091 1 41 . 1 . 1 15 15 GLU CA C 13 56.493 0.3 . 1 . . . . . 15 GLU CA . 28091 1 42 . 1 . 1 15 15 GLU N N 15 123.324 0.3 . 1 . . . . . 15 GLU N . 28091 1 43 . 1 . 1 16 16 VAL H H 1 8.197 0.020 . 1 . . . . . 16 VAL H . 28091 1 44 . 1 . 1 16 16 VAL C C 13 173.224 0.3 . 1 . . . . . 16 VAL C . 28091 1 45 . 1 . 1 16 16 VAL CA C 13 62.524 0.3 . 1 . . . . . 16 VAL CA . 28091 1 46 . 1 . 1 16 16 VAL N N 15 122.88 0.3 . 1 . . . . . 16 VAL N . 28091 1 47 . 1 . 1 17 17 ARG H H 1 8.396 0.020 . 1 . . . . . 17 ARG H . 28091 1 48 . 1 . 1 17 17 ARG C C 13 173.673 0.3 . 1 . . . . . 17 ARG C . 28091 1 49 . 1 . 1 17 17 ARG CA C 13 55.83 0.3 . 1 . . . . . 17 ARG CA . 28091 1 50 . 1 . 1 17 17 ARG N N 15 125.725 0.3 . 1 . . . . . 17 ARG N . 28091 1 51 . 1 . 1 18 18 THR H H 1 8.251 0.020 . 1 . . . . . 18 THR H . 28091 1 52 . 1 . 1 18 18 THR C C 13 171.443 0.3 . 1 . . . . . 18 THR C . 28091 1 53 . 1 . 1 18 18 THR CA C 13 61.837 0.3 . 1 . . . . . 18 THR CA . 28091 1 54 . 1 . 1 18 18 THR N N 15 115.663 0.3 . 1 . . . . . 18 THR N . 28091 1 55 . 1 . 1 19 19 ASP H H 1 8.295 0.020 . 1 . . . . . 19 ASP H . 28091 1 56 . 1 . 1 19 19 ASP C C 13 173.647 0.3 . 1 . . . . . 19 ASP C . 28091 1 57 . 1 . 1 19 19 ASP CA C 13 54.148 0.3 . 1 . . . . . 19 ASP CA . 28091 1 58 . 1 . 1 19 19 ASP N N 15 122.487 0.3 . 1 . . . . . 19 ASP N . 28091 1 59 . 1 . 1 20 20 SER H H 1 8.226 0.020 . 1 . . . . . 20 SER H . 28091 1 60 . 1 . 1 20 20 SER C C 13 172.558 0.3 . 1 . . . . . 20 SER C . 28091 1 61 . 1 . 1 20 20 SER CA C 13 59.228 0.3 . 1 . . . . . 20 SER CA . 28091 1 62 . 1 . 1 20 20 SER N N 15 116.562 0.3 . 1 . . . . . 20 SER N . 28091 1 63 . 1 . 1 21 21 GLY H H 1 8.365 0.020 . 1 . . . . . 21 GLY H . 28091 1 64 . 1 . 1 21 21 GLY C C 13 171.674 0.3 . 1 . . . . . 21 GLY C . 28091 1 65 . 1 . 1 21 21 GLY CA C 13 45.69 0.3 . 1 . . . . . 21 GLY CA . 28091 1 66 . 1 . 1 21 21 GLY N N 15 110.84 0.3 . 1 . . . . . 21 GLY N . 28091 1 67 . 1 . 1 22 22 SER H H 1 7.929 0.020 . 1 . . . . . 22 SER H . 28091 1 68 . 1 . 1 22 22 SER C C 13 171.725 0.3 . 1 . . . . . 22 SER C . 28091 1 69 . 1 . 1 22 22 SER CA C 13 58.869 0.3 . 1 . . . . . 22 SER CA . 28091 1 70 . 1 . 1 22 22 SER N N 15 115.526 0.3 . 1 . . . . . 22 SER N . 28091 1 71 . 1 . 1 23 23 LEU H H 1 8.02 0.020 . 1 . . . . . 23 LEU H . 28091 1 72 . 1 . 1 23 23 LEU C C 13 174.493 0.3 . 1 . . . . . 23 LEU C . 28091 1 73 . 1 . 1 23 23 LEU CA C 13 55.434 0.3 . 1 . . . . . 23 LEU CA . 28091 1 74 . 1 . 1 23 23 LEU N N 15 123.54 0.3 . 1 . . . . . 23 LEU N . 28091 1 75 . 1 . 1 24 24 ARG H H 1 8.096 0.020 . 1 . . . . . 24 ARG H . 28091 1 76 . 1 . 1 24 24 ARG CA C 13 56.404 0.3 . 1 . . . . . 24 ARG CA . 28091 1 77 . 1 . 1 24 24 ARG N N 15 121.884 0.3 . 1 . . . . . 24 ARG N . 28091 1 78 . 1 . 1 25 25 ARG C C 13 173.205 0.3 . 1 . . . . . 25 ARG C . 28091 1 79 . 1 . 1 25 25 ARG CA C 13 56.534 0.3 . 1 . . . . . 25 ARG CA . 28091 1 80 . 1 . 1 26 26 ASP H H 1 8.241 0.020 . 1 . . . . . 26 ASP H . 28091 1 81 . 1 . 1 26 26 ASP C C 13 173.199 0.3 . 1 . . . . . 26 ASP C . 28091 1 82 . 1 . 1 26 26 ASP CA C 13 54.479 0.3 . 1 . . . . . 26 ASP CA . 28091 1 83 . 1 . 1 26 26 ASP N N 15 120.255 0.3 . 1 . . . . . 26 ASP N . 28091 1 84 . 1 . 1 27 27 MET H H 1 8.009 0.020 . 1 . . . . . 27 MET H . 28091 1 85 . 1 . 1 27 27 MET C C 13 173.192 0.3 . 1 . . . . . 27 MET C . 28091 1 86 . 1 . 1 27 27 MET CA C 13 55.301 0.3 . 1 . . . . . 27 MET CA . 28091 1 87 . 1 . 1 27 27 MET N N 15 119.824 0.3 . 1 . . . . . 27 MET N . 28091 1 88 . 1 . 1 28 28 GLN H H 1 8.151 0.020 . 1 . . . . . 28 GLN H . 28091 1 89 . 1 . 1 28 28 GLN C C 13 170.949 0.3 . 1 . . . . . 28 GLN C . 28091 1 90 . 1 . 1 28 28 GLN CA C 13 53.843 0.3 . 1 . . . . . 28 GLN CA . 28091 1 91 . 1 . 1 28 28 GLN N N 15 122.385 0.3 . 1 . . . . . 28 GLN N . 28091 1 92 . 1 . 1 29 29 PRO C C 13 173.923 0.3 . 1 . . . . . 29 PRO C . 28091 1 93 . 1 . 1 29 29 PRO CA C 13 62.99 0.3 . 1 . . . . . 29 PRO CA . 28091 1 94 . 1 . 1 30 30 LEU H H 1 8.251 0.020 . 1 . . . . . 30 LEU H . 28091 1 95 . 1 . 1 30 30 LEU C C 13 174.5 0.3 . 1 . . . . . 30 LEU C . 28091 1 96 . 1 . 1 30 30 LEU CA C 13 55.379 0.3 . 1 . . . . . 30 LEU CA . 28091 1 97 . 1 . 1 30 30 LEU N N 15 122.329 0.3 . 1 . . . . . 30 LEU N . 28091 1 98 . 1 . 1 31 31 SER H H 1 8.142 0.020 . 1 . . . . . 31 SER H . 28091 1 99 . 1 . 1 31 31 SER C C 13 169.815 0.3 . 1 . . . . . 31 SER C . 28091 1 100 . 1 . 1 31 31 SER CA C 13 56.299 0.3 . 1 . . . . . 31 SER CA . 28091 1 101 . 1 . 1 31 31 SER N N 15 117.831 0.3 . 1 . . . . . 31 SER N . 28091 1 102 . 1 . 1 32 32 PRO C C 13 174.012 0.3 . 1 . . . . . 32 PRO C . 28091 1 103 . 1 . 1 32 32 PRO CA C 13 63.336 0.3 . 1 . . . . . 32 PRO CA . 28091 1 104 . 1 . 1 33 33 ILE H H 1 8 0.020 . 1 . . . . . 33 ILE H . 28091 1 105 . 1 . 1 33 33 ILE C C 13 173.532 0.3 . 1 . . . . . 33 ILE C . 28091 1 106 . 1 . 1 33 33 ILE CA C 13 61.241 0.3 . 1 . . . . . 33 ILE CA . 28091 1 107 . 1 . 1 33 33 ILE N N 15 120.586 0.3 . 1 . . . . . 33 ILE N . 28091 1 108 . 1 . 1 34 34 SER H H 1 8.188 0.020 . 1 . . . . . 34 SER H . 28091 1 109 . 1 . 1 34 34 SER C C 13 171.814 0.3 . 1 . . . . . 34 SER C . 28091 1 110 . 1 . 1 34 34 SER CA C 13 58.146 0.3 . 1 . . . . . 34 SER CA . 28091 1 111 . 1 . 1 34 34 SER N N 15 119.974 0.3 . 1 . . . . . 34 SER N . 28091 1 112 . 1 . 1 35 35 VAL H H 1 8.05 0.020 . 1 . . . . . 35 VAL H . 28091 1 113 . 1 . 1 35 35 VAL C C 13 173.141 0.3 . 1 . . . . . 35 VAL C . 28091 1 114 . 1 . 1 35 35 VAL CA C 13 62.778 0.3 . 1 . . . . . 35 VAL CA . 28091 1 115 . 1 . 1 35 35 VAL N N 15 121.855 0.3 . 1 . . . . . 35 VAL N . 28091 1 116 . 1 . 1 36 36 HIS H H 1 8.103 0.020 . 1 . . . . . 36 HIS H . 28091 1 117 . 1 . 1 36 36 HIS C C 13 172.449 0.3 . 1 . . . . . 36 HIS C . 28091 1 118 . 1 . 1 36 36 HIS CA C 13 56.474 0.3 . 1 . . . . . 36 HIS CA . 28091 1 119 . 1 . 1 36 36 HIS N N 15 121.806 0.3 . 1 . . . . . 36 HIS N . 28091 1 120 . 1 . 1 37 37 GLU H H 1 8.102 0.020 . 1 . . . . . 37 GLU H . 28091 1 121 . 1 . 1 37 37 GLU C C 13 173.634 0.3 . 1 . . . . . 37 GLU C . 28091 1 122 . 1 . 1 37 37 GLU CA C 13 56.512 0.3 . 1 . . . . . 37 GLU CA . 28091 1 123 . 1 . 1 37 37 GLU N N 15 122.054 0.3 . 1 . . . . . 37 GLU N . 28091 1 124 . 1 . 1 38 38 ARG H H 1 8.267 0.020 . 1 . . . . . 38 ARG H . 28091 1 125 . 1 . 1 38 38 ARG C C 13 173.211 0.3 . 1 . . . . . 38 ARG C . 28091 1 126 . 1 . 1 38 38 ARG CA C 13 56.435 0.3 . 1 . . . . . 38 ARG CA . 28091 1 127 . 1 . 1 38 38 ARG N N 15 122.552 0.3 . 1 . . . . . 38 ARG N . 28091 1 128 . 1 . 1 39 39 TYR H H 1 8.071 0.020 . 1 . . . . . 39 TYR H . 28091 1 129 . 1 . 1 39 39 TYR C C 13 172.801 0.3 . 1 . . . . . 39 TYR C . 28091 1 130 . 1 . 1 39 39 TYR CA C 13 57.857 0.3 . 1 . . . . . 39 TYR CA . 28091 1 131 . 1 . 1 39 39 TYR N N 15 120.763 0.3 . 1 . . . . . 39 TYR N . 28091 1 132 . 1 . 1 40 40 SER H H 1 7.93 0.020 . 1 . . . . . 40 SER H . 28091 1 133 . 1 . 1 40 40 SER C C 13 170.776 0.3 . 1 . . . . . 40 SER C . 28091 1 134 . 1 . 1 40 40 SER CA C 13 57.893 0.3 . 1 . . . . . 40 SER CA . 28091 1 135 . 1 . 1 40 40 SER N N 15 117.658 0.3 . 1 . . . . . 40 SER N . 28091 1 136 . 1 . 1 41 41 SER H H 1 8.131 0.020 . 1 . . . . . 41 SER H . 28091 1 137 . 1 . 1 41 41 SER C C 13 170.27 0.3 . 1 . . . . . 41 SER C . 28091 1 138 . 1 . 1 41 41 SER CA C 13 56.474 0.3 . 1 . . . . . 41 SER CA . 28091 1 139 . 1 . 1 41 41 SER N N 15 118.695 0.3 . 1 . . . . . 41 SER N . 28091 1 140 . 1 . 1 42 42 PRO C C 13 174.416 0.3 . 1 . . . . . 42 PRO C . 28091 1 141 . 1 . 1 42 42 PRO CA C 13 63.72 0.3 . 1 . . . . . 42 PRO CA . 28091 1 142 . 1 . 1 43 43 THR H H 1 8.005 0.020 . 1 . . . . . 43 THR H . 28091 1 143 . 1 . 1 43 43 THR C C 13 171.853 0.3 . 1 . . . . . 43 THR C . 28091 1 144 . 1 . 1 43 43 THR CA C 13 61.875 0.3 . 1 . . . . . 43 THR CA . 28091 1 145 . 1 . 1 43 43 THR N N 15 113.334 0.3 . 1 . . . . . 43 THR N . 28091 1 146 . 1 . 1 44 44 ALA H H 1 8.121 0.020 . 1 . . . . . 44 ALA H . 28091 1 147 . 1 . 1 44 44 ALA C C 13 175.531 0.3 . 1 . . . . . 44 ALA C . 28091 1 148 . 1 . 1 44 44 ALA CA C 13 53.206 0.3 . 1 . . . . . 44 ALA CA . 28091 1 149 . 1 . 1 44 44 ALA N N 15 126.326 0.3 . 1 . . . . . 44 ALA N . 28091 1 150 . 1 . 1 45 45 GLY H H 1 8.275 0.020 . 1 . . . . . 45 GLY H . 28091 1 151 . 1 . 1 45 45 GLY C C 13 171.597 0.3 . 1 . . . . . 45 GLY C . 28091 1 152 . 1 . 1 45 45 GLY CA C 13 45.498 0.3 . 1 . . . . . 45 GLY CA . 28091 1 153 . 1 . 1 45 45 GLY N N 15 108.267 0.3 . 1 . . . . . 45 GLY N . 28091 1 154 . 1 . 1 46 46 SER H H 1 7.985 0.020 . 1 . . . . . 46 SER H . 28091 1 155 . 1 . 1 46 46 SER C C 13 171.725 0.3 . 1 . . . . . 46 SER C . 28091 1 156 . 1 . 1 46 46 SER CA C 13 58.751 0.3 . 1 . . . . . 46 SER CA . 28091 1 157 . 1 . 1 46 46 SER N N 15 115.442 0.3 . 1 . . . . . 46 SER N . 28091 1 158 . 1 . 1 47 47 ALA H H 1 8.173 0.020 . 1 . . . . . 47 ALA H . 28091 1 159 . 1 . 1 47 47 ALA C C 13 175.044 0.3 . 1 . . . . . 47 ALA C . 28091 1 160 . 1 . 1 47 47 ALA CA C 13 52.927 0.3 . 1 . . . . . 47 ALA CA . 28091 1 161 . 1 . 1 47 47 ALA N N 15 125.666 0.3 . 1 . . . . . 47 ALA N . 28091 1 162 . 1 . 1 48 48 LYS H H 1 8.029 0.020 . 1 . . . . . 48 LYS H . 28091 1 163 . 1 . 1 48 48 LYS C C 13 173.769 0.3 . 1 . . . . . 48 LYS C . 28091 1 164 . 1 . 1 48 48 LYS CA C 13 56.79 0.3 . 1 . . . . . 48 LYS CA . 28091 1 165 . 1 . 1 48 48 LYS N N 15 120.179 0.3 . 1 . . . . . 48 LYS N . 28091 1 166 . 1 . 1 49 49 ARG H H 1 8.081 0.020 . 1 . . . . . 49 ARG H . 28091 1 167 . 1 . 1 49 49 ARG C C 13 173.34 0.3 . 1 . . . . . 49 ARG C . 28091 1 168 . 1 . 1 49 49 ARG CA C 13 56.416 0.3 . 1 . . . . . 49 ARG CA . 28091 1 169 . 1 . 1 49 49 ARG N N 15 122.229 0.3 . 1 . . . . . 49 ARG N . 28091 1 170 . 1 . 1 50 50 ARG H H 1 8.214 0.020 . 1 . . . . . 50 ARG H . 28091 1 171 . 1 . 1 50 50 ARG C C 13 173.25 0.3 . 1 . . . . . 50 ARG C . 28091 1 172 . 1 . 1 50 50 ARG CA C 13 56.281 0.3 . 1 . . . . . 50 ARG CA . 28091 1 173 . 1 . 1 50 50 ARG N N 15 122.829 0.3 . 1 . . . . . 50 ARG N . 28091 1 174 . 1 . 1 51 51 LEU H H 1 8.155 0.020 . 1 . . . . . 51 LEU H . 28091 1 175 . 1 . 1 51 51 LEU C C 13 174.147 0.3 . 1 . . . . . 51 LEU C . 28091 1 176 . 1 . 1 51 51 LEU CA C 13 55.186 0.3 . 1 . . . . . 51 LEU CA . 28091 1 177 . 1 . 1 51 51 LEU N N 15 123.578 0.3 . 1 . . . . . 51 LEU N . 28091 1 178 . 1 . 1 52 52 PHE H H 1 8.09 0.020 . 1 . . . . . 52 PHE H . 28091 1 179 . 1 . 1 52 52 PHE C C 13 173.346 0.3 . 1 . . . . . 52 PHE C . 28091 1 180 . 1 . 1 52 52 PHE CA C 13 58.058 0.3 . 1 . . . . . 52 PHE CA . 28091 1 181 . 1 . 1 52 52 PHE N N 15 119.941 0.3 . 1 . . . . . 52 PHE N . 28091 1 182 . 1 . 1 53 53 GLY H H 1 8.13 0.020 . 1 . . . . . 53 GLY H . 28091 1 183 . 1 . 1 53 53 GLY C C 13 170.866 0.3 . 1 . . . . . 53 GLY C . 28091 1 184 . 1 . 1 53 53 GLY CA C 13 45.322 0.3 . 1 . . . . . 53 GLY CA . 28091 1 185 . 1 . 1 53 53 GLY N N 15 110.609 0.3 . 1 . . . . . 53 GLY N . 28091 1 186 . 1 . 1 54 54 GLU H H 1 7.954 0.020 . 1 . . . . . 54 GLU H . 28091 1 187 . 1 . 1 54 54 GLU C C 13 173.167 0.3 . 1 . . . . . 54 GLU C . 28091 1 188 . 1 . 1 54 54 GLU CA C 13 56.145 0.3 . 1 . . . . . 54 GLU CA . 28091 1 189 . 1 . 1 54 54 GLU N N 15 119.78 0.3 . 1 . . . . . 54 GLU N . 28091 1 190 . 1 . 1 55 55 ASP H H 1 8.332 0.020 . 1 . . . . . 55 ASP H . 28091 1 191 . 1 . 1 55 55 ASP C C 13 170.674 0.3 . 1 . . . . . 55 ASP C . 28091 1 192 . 1 . 1 55 55 ASP CA C 13 52.917 0.3 . 1 . . . . . 55 ASP CA . 28091 1 193 . 1 . 1 55 55 ASP N N 15 122.865 0.3 . 1 . . . . . 55 ASP N . 28091 1 194 . 1 . 1 57 57 PRO C C 13 174.096 0.3 . 1 . . . . . 57 PRO C . 28091 1 195 . 1 . 1 57 57 PRO CA C 13 62.972 0.3 . 1 . . . . . 57 PRO CA . 28091 1 196 . 1 . 1 58 58 LYS H H 1 8.273 0.020 . 1 . . . . . 58 LYS H . 28091 1 197 . 1 . 1 58 58 LYS C C 13 173.987 0.3 . 1 . . . . . 58 LYS C . 28091 1 198 . 1 . 1 58 58 LYS CA C 13 56.685 0.3 . 1 . . . . . 58 LYS CA . 28091 1 199 . 1 . 1 58 58 LYS N N 15 121.883 0.3 . 1 . . . . . 58 LYS N . 28091 1 200 . 1 . 1 59 59 GLU H H 1 8.341 0.020 . 1 . . . . . 59 GLU H . 28091 1 201 . 1 . 1 59 59 GLU C C 13 173.455 0.3 . 1 . . . . . 59 GLU C . 28091 1 202 . 1 . 1 59 59 GLU CA C 13 56.812 0.3 . 1 . . . . . 59 GLU CA . 28091 1 203 . 1 . 1 59 59 GLU N N 15 121.624 0.3 . 1 . . . . . 59 GLU N . 28091 1 204 . 1 . 1 60 60 MET H H 1 8.233 0.020 . 1 . . . . . 60 MET H . 28091 1 205 . 1 . 1 60 60 MET C C 13 173.135 0.3 . 1 . . . . . 60 MET C . 28091 1 206 . 1 . 1 60 60 MET CA C 13 55.405 0.3 . 1 . . . . . 60 MET CA . 28091 1 207 . 1 . 1 60 60 MET N N 15 121.791 0.3 . 1 . . . . . 60 MET N . 28091 1 208 . 1 . 1 61 61 LEU H H 1 8.098 0.020 . 1 . . . . . 61 LEU H . 28091 1 209 . 1 . 1 61 61 LEU C C 13 174.461 0.3 . 1 . . . . . 61 LEU C . 28091 1 210 . 1 . 1 61 61 LEU CA C 13 55.339 0.3 . 1 . . . . . 61 LEU CA . 28091 1 211 . 1 . 1 61 61 LEU N N 15 123.515 0.3 . 1 . . . . . 61 LEU N . 28091 1 212 . 1 . 1 62 62 MET H H 1 8.182 0.020 . 1 . . . . . 62 MET H . 28091 1 213 . 1 . 1 62 62 MET C C 13 173.122 0.3 . 1 . . . . . 62 MET C . 28091 1 214 . 1 . 1 62 62 MET CA C 13 55.467 0.3 . 1 . . . . . 62 MET CA . 28091 1 215 . 1 . 1 62 62 MET N N 15 120.914 0.3 . 1 . . . . . 62 MET N . 28091 1 216 . 1 . 1 63 63 ASP H H 1 8.112 0.020 . 1 . . . . . 63 ASP H . 28091 1 217 . 1 . 1 63 63 ASP C C 13 173.205 0.3 . 1 . . . . . 63 ASP C . 28091 1 218 . 1 . 1 63 63 ASP CA C 13 54.705 0.3 . 1 . . . . . 63 ASP CA . 28091 1 219 . 1 . 1 63 63 ASP N N 15 121.047 0.3 . 1 . . . . . 63 ASP N . 28091 1 220 . 1 . 1 64 64 LYS H H 1 7.981 0.020 . 1 . . . . . 64 LYS H . 28091 1 221 . 1 . 1 64 64 LYS C C 13 173.519 0.3 . 1 . . . . . 64 LYS C . 28091 1 222 . 1 . 1 64 64 LYS CA C 13 56.429 0.3 . 1 . . . . . 64 LYS CA . 28091 1 223 . 1 . 1 64 64 LYS N N 15 121.077 0.3 . 1 . . . . . 64 LYS N . 28091 1 224 . 1 . 1 65 65 ILE H H 1 7.989 0.020 . 1 . . . . . 65 ILE H . 28091 1 225 . 1 . 1 65 65 ILE C C 13 173.602 0.3 . 1 . . . . . 65 ILE C . 28091 1 226 . 1 . 1 65 65 ILE CA C 13 61.413 0.3 . 1 . . . . . 65 ILE CA . 28091 1 227 . 1 . 1 65 65 ILE N N 15 122.413 0.3 . 1 . . . . . 65 ILE N . 28091 1 228 . 1 . 1 66 66 ILE H H 1 8.18 0.020 . 1 . . . . . 66 ILE H . 28091 1 229 . 1 . 1 66 66 ILE C C 13 173.692 0.3 . 1 . . . . . 66 ILE C . 28091 1 230 . 1 . 1 66 66 ILE CA C 13 61.202 0.3 . 1 . . . . . 66 ILE CA . 28091 1 231 . 1 . 1 66 66 ILE N N 15 125.944 0.3 . 1 . . . . . 66 ILE N . 28091 1 232 . 1 . 1 67 67 THR H H 1 8.101 0.020 . 1 . . . . . 67 THR H . 28091 1 233 . 1 . 1 67 67 THR C C 13 171.821 0.3 . 1 . . . . . 67 THR C . 28091 1 234 . 1 . 1 67 67 THR CA C 13 62.048 0.3 . 1 . . . . . 67 THR CA . 28091 1 235 . 1 . 1 67 67 THR N N 15 118.754 0.3 . 1 . . . . . 67 THR N . 28091 1 236 . 1 . 1 68 68 GLU H H 1 8.314 0.020 . 1 . . . . . 68 GLU H . 28091 1 237 . 1 . 1 68 68 GLU C C 13 174.115 0.3 . 1 . . . . . 68 GLU C . 28091 1 238 . 1 . 1 68 68 GLU CA C 13 57.108 0.3 . 1 . . . . . 68 GLU CA . 28091 1 239 . 1 . 1 68 68 GLU N N 15 123.656 0.3 . 1 . . . . . 68 GLU N . 28091 1 240 . 1 . 1 69 69 GLY H H 1 8.293 0.020 . 1 . . . . . 69 GLY H . 28091 1 241 . 1 . 1 69 69 GLY C C 13 171.584 0.3 . 1 . . . . . 69 GLY C . 28091 1 242 . 1 . 1 69 69 GLY CA C 13 45.517 0.3 . 1 . . . . . 69 GLY CA . 28091 1 243 . 1 . 1 69 69 GLY N N 15 109.814 0.3 . 1 . . . . . 69 GLY N . 28091 1 244 . 1 . 1 70 70 THR H H 1 7.887 0.020 . 1 . . . . . 70 THR H . 28091 1 245 . 1 . 1 70 70 THR C C 13 171.712 0.3 . 1 . . . . . 70 THR C . 28091 1 246 . 1 . 1 70 70 THR CA C 13 62.626 0.3 . 1 . . . . . 70 THR CA . 28091 1 247 . 1 . 1 70 70 THR N N 15 114.168 0.3 . 1 . . . . . 70 THR N . 28091 1 248 . 1 . 1 71 71 LYS H H 1 8.151 0.020 . 1 . . . . . 71 LYS H . 28091 1 249 . 1 . 1 71 71 LYS C C 13 173.545 0.3 . 1 . . . . . 71 LYS C . 28091 1 250 . 1 . 1 71 71 LYS CA C 13 56.416 0.3 . 1 . . . . . 71 LYS CA . 28091 1 251 . 1 . 1 71 71 LYS N N 15 123.945 0.3 . 1 . . . . . 71 LYS N . 28091 1 252 . 1 . 1 72 72 LEU H H 1 8.027 0.020 . 1 . . . . . 72 LEU H . 28091 1 253 . 1 . 1 72 72 LEU C C 13 174.134 0.3 . 1 . . . . . 72 LEU C . 28091 1 254 . 1 . 1 72 72 LEU CA C 13 55.412 0.3 . 1 . . . . . 72 LEU CA . 28091 1 255 . 1 . 1 72 72 LEU N N 15 123.398 0.3 . 1 . . . . . 72 LEU N . 28091 1 256 . 1 . 1 73 73 LYS H H 1 8.165 0.020 . 1 . . . . . 73 LYS H . 28091 1 257 . 1 . 1 73 73 LYS C C 13 173.244 0.3 . 1 . . . . . 73 LYS C . 28091 1 258 . 1 . 1 73 73 LYS CA C 13 56.185 0.3 . 1 . . . . . 73 LYS CA . 28091 1 259 . 1 . 1 73 73 LYS N N 15 123.14 0.3 . 1 . . . . . 73 LYS N . 28091 1 260 . 1 . 1 74 74 ILE H H 1 7.998 0.020 . 1 . . . . . 74 ILE H . 28091 1 261 . 1 . 1 74 74 ILE C C 13 172.68 0.3 . 1 . . . . . 74 ILE C . 28091 1 262 . 1 . 1 74 74 ILE CA C 13 60.86 0.3 . 1 . . . . . 74 ILE CA . 28091 1 263 . 1 . 1 74 74 ILE N N 15 123.07 0.3 . 1 . . . . . 74 ILE N . 28091 1 264 . 1 . 1 75 75 ALA H H 1 8.305 0.020 . 1 . . . . . 75 ALA H . 28091 1 265 . 1 . 1 75 75 ALA C C 13 172.442 0.3 . 1 . . . . . 75 ALA C . 28091 1 266 . 1 . 1 75 75 ALA CA C 13 50.495 0.3 . 1 . . . . . 75 ALA CA . 28091 1 267 . 1 . 1 75 75 ALA N N 15 110.181 0.3 . 1 . . . . . 75 ALA N . 28091 1 268 . 1 . 1 76 76 PRO C C 13 174.077 0.3 . 1 . . . . . 76 PRO C . 28091 1 269 . 1 . 1 76 76 PRO CA C 13 63.182 0.3 . 1 . . . . . 76 PRO CA . 28091 1 270 . 1 . 1 77 77 SER H H 1 8.332 0.020 . 1 . . . . . 77 SER H . 28091 1 271 . 1 . 1 77 77 SER C C 13 170.84 0.3 . 1 . . . . . 77 SER C . 28091 1 272 . 1 . 1 77 77 SER CA C 13 58.473 0.3 . 1 . . . . . 77 SER CA . 28091 1 273 . 1 . 1 77 77 SER N N 15 116.491 0.3 . 1 . . . . . 77 SER N . 28091 1 274 . 1 . 1 78 78 SER H H 1 7.82 0.020 . 1 . . . . . 78 SER H . 28091 1 275 . 1 . 1 78 78 SER C C 13 175.666 0.3 . 1 . . . . . 78 SER C . 28091 1 276 . 1 . 1 78 78 SER CA C 13 60.065 0.3 . 1 . . . . . 78 SER CA . 28091 1 277 . 1 . 1 78 78 SER N N 15 122.653 0.3 . 1 . . . . . 78 SER N . 28091 1 stop_ save_