################################### # 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 51051 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'S. cerevisiae SERF Assigned 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 2 '3D CBCA(CO)NH' . . . 51051 1 3 '3D HN(CA)CO' . . . 51051 1 4 '3D HNCO' . . . 51051 1 5 '3D HNCACB' . . . 51051 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 . . 51051 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 173.180 0.100 . 1 . . . . . 1 MET C . 51051 1 2 . 1 . 1 1 1 MET CA C 13 54.052 0.100 . 1 . . . . . 1 MET CA . 51051 1 3 . 1 . 1 1 1 MET CB C 13 31.048 0.100 . 1 . . . . . 1 MET CB . 51051 1 4 . 1 . 1 1 1 MET N N 15 122.541 0.050 . 1 . . . . . 1 MET N . 51051 1 5 . 1 . 1 2 2 ALA H H 1 8.272 0.010 . 1 . . . . . 2 ALA HN . 51051 1 6 . 1 . 1 2 2 ALA C C 13 174.911 0.100 . 1 . . . . . 2 ALA C . 51051 1 7 . 1 . 1 2 2 ALA CA C 13 50.933 0.100 . 1 . . . . . 2 ALA CA . 51051 1 8 . 1 . 1 2 2 ALA CB C 13 17.109 0.100 . 1 . . . . . 2 ALA CB . 51051 1 9 . 1 . 1 2 2 ALA N N 15 125.722 0.050 . 1 . . . . . 2 ALA N . 51051 1 10 . 1 . 1 3 3 ARG H H 1 8.291 0.010 . 1 . . . . . 3 ARG HN . 51051 1 11 . 1 . 1 3 3 ARG C C 13 174.241 0.100 . 1 . . . . . 3 ARG C . 51051 1 12 . 1 . 1 3 3 ARG CA C 13 54.328 0.100 . 1 . . . . . 3 ARG CA . 51051 1 13 . 1 . 1 3 3 ARG CB C 13 28.932 0.100 . 1 . . . . . 3 ARG CB . 51051 1 14 . 1 . 1 3 3 ARG N N 15 120.486 0.050 . 1 . . . . . 3 ARG N . 51051 1 15 . 1 . 1 4 4 GLY H H 1 8.342 0.010 . 1 . . . . . 4 GLY HN . 51051 1 16 . 1 . 1 4 4 GLY C C 13 171.188 0.100 . 1 . . . . . 4 GLY C . 51051 1 17 . 1 . 1 4 4 GLY CA C 13 43.627 0.100 . 1 . . . . . 4 GLY CA . 51051 1 18 . 1 . 1 4 4 GLY N N 15 109.559 0.050 . 1 . . . . . 4 GLY N . 51051 1 19 . 1 . 1 5 5 ASN H H 1 8.329 0.010 . 1 . . . . . 5 ASN HN . 51051 1 20 . 1 . 1 5 5 ASN C C 13 172.919 0.100 . 1 . . . . . 5 ASN C . 51051 1 21 . 1 . 1 5 5 ASN CA C 13 51.448 0.100 . 1 . . . . . 5 ASN CA . 51051 1 22 . 1 . 1 5 5 ASN CB C 13 37.187 0.100 . 1 . . . . . 5 ASN CB . 51051 1 23 . 1 . 1 5 5 ASN N N 15 118.721 0.050 . 1 . . . . . 5 ASN N . 51051 1 24 . 1 . 1 6 6 GLN H H 1 8.421 0.010 . 1 . . . . . 6 GLN HN . 51051 1 25 . 1 . 1 6 6 GLN C C 13 173.943 0.100 . 1 . . . . . 6 GLN C . 51051 1 26 . 1 . 1 6 6 GLN CA C 13 55.210 0.100 . 1 . . . . . 6 GLN CA . 51051 1 27 . 1 . 1 6 6 GLN CB C 13 27.158 0.100 . 1 . . . . . 6 GLN CB . 51051 1 28 . 1 . 1 6 6 GLN N N 15 120.877 0.050 . 1 . . . . . 6 GLN N . 51051 1 29 . 1 . 1 7 7 ARG H H 1 8.266 0.010 . 1 . . . . . 7 ARG HN . 51051 1 30 . 1 . 1 7 7 ARG CB C 13 28.704 0.100 . 1 . . . . . 7 ARG CB . 51051 1 31 . 1 . 1 7 7 ARG N N 15 121.207 0.050 . 1 . . . . . 7 ARG N . 51051 1 32 . 1 . 1 8 8 ASP H H 1 8.173 0.010 . 1 . . . . . 8 ASP HN . 51051 1 33 . 1 . 1 8 8 ASP C C 13 174.336 0.100 . 1 . . . . . 8 ASP C . 51051 1 34 . 1 . 1 8 8 ASP CA C 13 53.324 0.100 . 1 . . . . . 8 ASP CA . 51051 1 35 . 1 . 1 8 8 ASP CB C 13 39.077 0.100 . 1 . . . . . 8 ASP CB . 51051 1 36 . 1 . 1 8 8 ASP N N 15 120.773 0.050 . 1 . . . . . 8 ASP N . 51051 1 37 . 1 . 1 9 9 LEU H H 1 8.044 0.010 . 1 . . . . . 9 LEU HN . 51051 1 38 . 1 . 1 9 9 LEU C C 13 175.414 0.100 . 1 . . . . . 9 LEU C . 51051 1 39 . 1 . 1 9 9 LEU CA C 13 54.449 0.100 . 1 . . . . . 9 LEU CA . 51051 1 40 . 1 . 1 9 9 LEU CB C 13 40.257 0.100 . 1 . . . . . 9 LEU CB . 51051 1 41 . 1 . 1 9 9 LEU N N 15 122.440 0.050 . 1 . . . . . 9 LEU N . 51051 1 42 . 1 . 1 10 10 ALA H H 1 7.996 0.010 . 1 . . . . . 10 ALA HN . 51051 1 43 . 1 . 1 10 10 ALA C C 13 175.879 0.100 . 1 . . . . . 10 ALA C . 51051 1 44 . 1 . 1 10 10 ALA CA C 13 51.837 0.100 . 1 . . . . . 10 ALA CA . 51051 1 45 . 1 . 1 10 10 ALA CB C 13 16.653 0.100 . 1 . . . . . 10 ALA CB . 51051 1 46 . 1 . 1 10 10 ALA N N 15 122.912 0.050 . 1 . . . . . 10 ALA N . 51051 1 47 . 1 . 1 11 11 ARG H H 1 7.884 0.010 . 1 . . . . . 11 ARG HN . 51051 1 48 . 1 . 1 11 11 ARG C C 13 174.483 0.100 . 1 . . . . . 11 ARG C . 51051 1 49 . 1 . 1 11 11 ARG CA C 13 55.424 0.100 . 1 . . . . . 11 ARG CA . 51051 1 50 . 1 . 1 11 11 ARG CB C 13 28.537 0.100 . 1 . . . . . 11 ARG CB . 51051 1 51 . 1 . 1 11 11 ARG N N 15 118.755 0.050 . 1 . . . . . 11 ARG N . 51051 1 52 . 1 . 1 12 12 GLN H H 1 8.074 0.010 . 1 . . . . . 12 GLN HN . 51051 1 53 . 1 . 1 12 12 GLN C C 13 174.073 0.100 . 1 . . . . . 12 GLN C . 51051 1 54 . 1 . 1 12 12 GLN CA C 13 55.172 0.100 . 1 . . . . . 12 GLN CA . 51051 1 55 . 1 . 1 12 12 GLN CB C 13 27.328 0.100 . 1 . . . . . 12 GLN CB . 51051 1 56 . 1 . 1 12 12 GLN N N 15 119.751 0.050 . 1 . . . . . 12 GLN N . 51051 1 57 . 1 . 1 13 13 LYS H H 1 8.143 0.010 . 1 . . . . . 13 LYS HN . 51051 1 58 . 1 . 1 13 13 LYS C C 13 174.126 0.100 . 1 . . . . . 13 LYS C . 51051 1 59 . 1 . 1 13 13 LYS CA C 13 55.435 0.100 . 1 . . . . . 13 LYS CA . 51051 1 60 . 1 . 1 13 13 LYS CB C 13 30.801 0.100 . 1 . . . . . 13 LYS CB . 51051 1 61 . 1 . 1 13 13 LYS N N 15 121.295 0.050 . 1 . . . . . 13 LYS N . 51051 1 62 . 1 . 1 14 14 ASN H H 1 8.233 0.010 . 1 . . . . . 14 ASN HN . 51051 1 63 . 1 . 1 14 14 ASN C C 13 172.900 0.100 . 1 . . . . . 14 ASN C . 51051 1 64 . 1 . 1 14 14 ASN CA C 13 51.976 0.100 . 1 . . . . . 14 ASN CA . 51051 1 65 . 1 . 1 14 14 ASN CB C 13 36.753 0.100 . 1 . . . . . 14 ASN CB . 51051 1 66 . 1 . 1 14 14 ASN N N 15 118.721 0.050 . 1 . . . . . 14 ASN N . 51051 1 67 . 1 . 1 15 15 LEU H H 1 8.051 0.010 . 1 . . . . . 15 LEU HN . 51051 1 68 . 1 . 1 15 15 LEU C C 13 175.023 0.100 . 1 . . . . . 15 LEU C . 51051 1 69 . 1 . 1 15 15 LEU CA C 13 54.300 0.100 . 1 . . . . . 15 LEU CA . 51051 1 70 . 1 . 1 15 15 LEU CB C 13 40.198 0.100 . 1 . . . . . 15 LEU CB . 51051 1 71 . 1 . 1 15 15 LEU N N 15 122.315 0.050 . 1 . . . . . 15 LEU N . 51051 1 72 . 1 . 1 16 16 LYS H H 1 8.066 0.010 . 1 . . . . . 16 LYS HN . 51051 1 73 . 1 . 1 16 16 LYS C C 13 174.107 0.100 . 1 . . . . . 16 LYS C . 51051 1 74 . 1 . 1 16 16 LYS CA C 13 55.245 0.100 . 1 . . . . . 16 LYS CA . 51051 1 75 . 1 . 1 16 16 LYS CB C 13 30.849 0.100 . 1 . . . . . 16 LYS CB . 51051 1 76 . 1 . 1 16 16 LYS N N 15 121.323 0.050 . 1 . . . . . 16 LYS N . 51051 1 77 . 1 . 1 17 17 LYS H H 1 8.079 0.010 . 1 . . . . . 17 LYS HN . 51051 1 78 . 1 . 1 17 17 LYS C C 13 174.229 0.100 . 1 . . . . . 17 LYS C . 51051 1 79 . 1 . 1 17 17 LYS CA C 13 55.190 0.100 . 1 . . . . . 17 LYS CA . 51051 1 80 . 1 . 1 17 17 LYS CB C 13 30.840 0.100 . 1 . . . . . 17 LYS CB . 51051 1 81 . 1 . 1 17 17 LYS N N 15 121.702 0.050 . 1 . . . . . 17 LYS N . 51051 1 82 . 1 . 1 18 18 GLN H H 1 8.219 0.010 . 1 . . . . . 18 GLN HN . 51051 1 83 . 1 . 1 18 18 GLN C C 13 173.831 0.100 . 1 . . . . . 18 GLN C . 51051 1 84 . 1 . 1 18 18 GLN CA C 13 54.672 0.100 . 1 . . . . . 18 GLN CA . 51051 1 85 . 1 . 1 18 18 GLN CB C 13 27.448 0.100 . 1 . . . . . 18 GLN CB . 51051 1 86 . 1 . 1 18 18 GLN N N 15 121.184 0.050 . 1 . . . . . 18 GLN N . 51051 1 87 . 1 . 1 19 19 LYS H H 1 8.256 0.010 . 1 . . . . . 19 LYS HN . 51051 1 88 . 1 . 1 19 19 LYS C C 13 173.917 0.100 . 1 . . . . . 19 LYS C . 51051 1 89 . 1 . 1 19 19 LYS CA C 13 55.110 0.100 . 1 . . . . . 19 LYS CA . 51051 1 90 . 1 . 1 19 19 LYS CB C 13 30.967 0.100 . 1 . . . . . 19 LYS CB . 51051 1 91 . 1 . 1 19 19 LYS N N 15 122.326 0.050 . 1 . . . . . 19 LYS N . 51051 1 92 . 1 . 1 20 20 ASP H H 1 8.270 0.010 . 1 . . . . . 20 ASP HN . 51051 1 93 . 1 . 1 20 20 ASP C C 13 173.980 0.100 . 1 . . . . . 20 ASP C . 51051 1 94 . 1 . 1 20 20 ASP CA C 13 53.220 0.100 . 1 . . . . . 20 ASP CA . 51051 1 95 . 1 . 1 20 20 ASP CB C 13 39.132 0.100 . 1 . . . . . 20 ASP CB . 51051 1 96 . 1 . 1 20 20 ASP N N 15 121.237 0.050 . 1 . . . . . 20 ASP N . 51051 1 97 . 1 . 1 21 21 MET H H 1 8.178 0.010 . 1 . . . . . 21 MET HN . 51051 1 98 . 1 . 1 21 21 MET CA C 13 53.843 0.100 . 1 . . . . . 21 MET CA . 51051 1 99 . 1 . 1 21 21 MET CB C 13 30.793 0.100 . 1 . . . . . 21 MET CB . 51051 1 100 . 1 . 1 21 21 MET N N 15 120.866 0.050 . 1 . . . . . 21 MET N . 51051 1 101 . 1 . 1 22 22 ALA H H 1 8.131 0.010 . 1 . . . . . 22 ALA HN . 51051 1 102 . 1 . 1 22 22 ALA C C 13 175.507 0.100 . 1 . . . . . 22 ALA C . 51051 1 103 . 1 . 1 22 22 ALA CA C 13 51.421 0.100 . 1 . . . . . 22 ALA CA . 51051 1 104 . 1 . 1 22 22 ALA CB C 13 16.994 0.100 . 1 . . . . . 22 ALA CB . 51051 1 105 . 1 . 1 22 22 ALA N N 15 124.081 0.050 . 1 . . . . . 22 ALA N . 51051 1 106 . 1 . 1 23 23 LYS H H 1 8.037 0.010 . 1 . . . . . 23 LYS HN . 51051 1 107 . 1 . 1 23 23 LYS C C 13 173.961 0.100 . 1 . . . . . 23 LYS C . 51051 1 108 . 1 . 1 23 23 LYS CA C 13 55.165 0.100 . 1 . . . . . 23 LYS CA . 51051 1 109 . 1 . 1 23 23 LYS CB C 13 30.933 0.100 . 1 . . . . . 23 LYS CB . 51051 1 110 . 1 . 1 23 23 LYS N N 15 119.468 0.050 . 1 . . . . . 23 LYS N . 51051 1 111 . 1 . 1 24 24 ASN H H 1 8.215 0.010 . 1 . . . . . 24 ASN HN . 51051 1 112 . 1 . 1 24 24 ASN C C 13 172.475 0.100 . 1 . . . . . 24 ASN C . 51051 1 113 . 1 . 1 24 24 ASN CA C 13 51.731 0.100 . 1 . . . . . 24 ASN CA . 51051 1 114 . 1 . 1 24 24 ASN CB C 13 36.848 0.100 . 1 . . . . . 24 ASN CB . 51051 1 115 . 1 . 1 24 24 ASN N N 15 118.569 0.050 . 1 . . . . . 24 ASN N . 51051 1 116 . 1 . 1 25 25 GLN H H 1 8.159 0.010 . 1 . . . . . 25 GLN HN . 51051 1 117 . 1 . 1 25 25 GLN C C 13 173.222 0.100 . 1 . . . . . 25 GLN C . 51051 1 118 . 1 . 1 25 25 GLN CA C 13 54.308 0.100 . 1 . . . . . 25 GLN CA . 51051 1 119 . 1 . 1 25 25 GLN CB C 13 27.736 0.100 . 1 . . . . . 25 GLN CB . 51051 1 120 . 1 . 1 25 25 GLN N N 15 120.616 0.050 . 1 . . . . . 25 GLN N . 51051 1 121 . 1 . 1 26 26 LYS H H 1 8.245 0.010 . 1 . . . . . 26 LYS HN . 51051 1 122 . 1 . 1 26 26 LYS C C 13 173.886 0.100 . 1 . . . . . 26 LYS C . 51051 1 123 . 1 . 1 26 26 LYS CA C 13 54.791 0.100 . 1 . . . . . 26 LYS CA . 51051 1 124 . 1 . 1 26 26 LYS CB C 13 31.029 0.100 . 1 . . . . . 26 LYS CB . 51051 1 125 . 1 . 1 26 26 LYS N N 15 122.509 0.050 . 1 . . . . . 26 LYS N . 51051 1 126 . 1 . 1 27 27 LYS H H 1 8.321 0.010 . 1 . . . . . 27 LYS HN . 51051 1 127 . 1 . 1 27 27 LYS C C 13 173.897 0.100 . 1 . . . . . 27 LYS C . 51051 1 128 . 1 . 1 27 27 LYS CA C 13 54.492 0.100 . 1 . . . . . 27 LYS CA . 51051 1 129 . 1 . 1 27 27 LYS CB C 13 31.101 0.100 . 1 . . . . . 27 LYS CB . 51051 1 130 . 1 . 1 27 27 LYS N N 15 122.988 0.050 . 1 . . . . . 27 LYS N . 51051 1 131 . 1 . 1 28 28 SER H H 1 8.296 0.010 . 1 . . . . . 28 SER HN . 51051 1 132 . 1 . 1 28 28 SER C C 13 172.167 0.100 . 1 . . . . . 28 SER C . 51051 1 133 . 1 . 1 28 28 SER CA C 13 56.860 0.100 . 1 . . . . . 28 SER CA . 51051 1 134 . 1 . 1 28 28 SER CB C 13 62.485 0.100 . 1 . . . . . 28 SER CB . 51051 1 135 . 1 . 1 28 28 SER N N 15 117.267 0.050 . 1 . . . . . 28 SER N . 51051 1 136 . 1 . 1 29 29 GLY H H 1 8.335 0.010 . 1 . . . . . 29 GLY HN . 51051 1 137 . 1 . 1 29 29 GLY C C 13 170.685 0.100 . 1 . . . . . 29 GLY C . 51051 1 138 . 1 . 1 29 29 GLY CA C 13 43.201 0.100 . 1 . . . . . 29 GLY CA . 51051 1 139 . 1 . 1 29 29 GLY N N 15 110.701 0.050 . 1 . . . . . 29 GLY N . 51051 1 140 . 1 . 1 30 30 ASP H H 1 8.167 0.010 . 1 . . . . . 30 ASP HN . 51051 1 141 . 1 . 1 30 30 ASP C C 13 172.361 0.100 . 1 . . . . . 30 ASP C . 51051 1 142 . 1 . 1 30 30 ASP CA C 13 50.592 0.100 . 1 . . . . . 30 ASP CA . 51051 1 143 . 1 . 1 30 30 ASP CB C 13 39.601 0.100 . 1 . . . . . 30 ASP CB . 51051 1 144 . 1 . 1 30 30 ASP N N 15 121.682 0.050 . 1 . . . . . 30 ASP N . 51051 1 145 . 1 . 1 32 32 LYS H H 1 8.272 0.010 . 1 . . . . . 32 LYS HN . 51051 1 146 . 1 . 1 32 32 LYS C C 13 174.352 0.100 . 1 . . . . . 32 LYS C . 51051 1 147 . 1 . 1 32 32 LYS CA C 13 55.168 0.100 . 1 . . . . . 32 LYS CA . 51051 1 148 . 1 . 1 32 32 LYS CB C 13 30.570 0.100 . 1 . . . . . 32 LYS CB . 51051 1 149 . 1 . 1 32 32 LYS N N 15 119.924 0.050 . 1 . . . . . 32 LYS N . 51051 1 150 . 1 . 1 33 33 LYS H H 1 7.929 0.010 . 1 . . . . . 33 LYS HN . 51051 1 151 . 1 . 1 33 33 LYS C C 13 174.017 0.100 . 1 . . . . . 33 LYS C . 51051 1 152 . 1 . 1 33 33 LYS CA C 13 54.895 0.100 . 1 . . . . . 33 LYS CA . 51051 1 153 . 1 . 1 33 33 LYS CB C 13 30.967 0.100 . 1 . . . . . 33 LYS CB . 51051 1 154 . 1 . 1 33 33 LYS N N 15 121.456 0.050 . 1 . . . . . 33 LYS N . 51051 1 155 . 1 . 1 34 34 ARG H H 1 8.163 0.010 . 1 . . . . . 34 ARG HN . 51051 1 156 . 1 . 1 34 34 ARG C C 13 173.775 0.100 . 1 . . . . . 34 ARG C . 51051 1 157 . 1 . 1 34 34 ARG CA C 13 54.873 0.100 . 1 . . . . . 34 ARG CA . 51051 1 158 . 1 . 1 34 34 ARG CB C 13 28.795 0.100 . 1 . . . . . 34 ARG CB . 51051 1 159 . 1 . 1 34 34 ARG N N 15 122.431 0.050 . 1 . . . . . 34 ARG N . 51051 1 160 . 1 . 1 35 35 MET H H 1 8.350 0.010 . 1 . . . . . 35 MET HN . 51051 1 161 . 1 . 1 35 35 MET C C 13 174.017 0.100 . 1 . . . . . 35 MET C . 51051 1 162 . 1 . 1 35 35 MET CA C 13 54.368 0.100 . 1 . . . . . 35 MET CA . 51051 1 163 . 1 . 1 35 35 MET CB C 13 30.832 0.100 . 1 . . . . . 35 MET CB . 51051 1 164 . 1 . 1 35 35 MET N N 15 121.549 0.050 . 1 . . . . . 35 MET N . 51051 1 165 . 1 . 1 36 36 GLU H H 1 8.389 0.010 . 1 . . . . . 36 GLU HN . 51051 1 166 . 1 . 1 36 36 GLU C C 13 174.103 0.100 . 1 . . . . . 36 GLU C . 51051 1 167 . 1 . 1 36 36 GLU CA C 13 55.294 0.100 . 1 . . . . . 36 GLU CA . 51051 1 168 . 1 . 1 36 36 GLU CB C 13 28.419 0.100 . 1 . . . . . 36 GLU CB . 51051 1 169 . 1 . 1 36 36 GLU N N 15 121.861 0.050 . 1 . . . . . 36 GLU N . 51051 1 170 . 1 . 1 37 37 SER H H 1 8.347 0.010 . 1 . . . . . 37 SER HN . 51051 1 171 . 1 . 1 37 37 SER C C 13 172.300 0.100 . 1 . . . . . 37 SER C . 51051 1 172 . 1 . 1 37 37 SER CA C 13 56.912 0.100 . 1 . . . . . 37 SER CA . 51051 1 173 . 1 . 1 37 37 SER CB C 13 62.497 0.100 . 1 . . . . . 37 SER CB . 51051 1 174 . 1 . 1 37 37 SER N N 15 116.731 0.050 . 1 . . . . . 37 SER N . 51051 1 175 . 1 . 1 38 38 ASP H H 1 8.462 0.010 . 1 . . . . . 38 ASP HN . 51051 1 176 . 1 . 1 38 38 ASP C C 13 175.190 0.100 . 1 . . . . . 38 ASP C . 51051 1 177 . 1 . 1 38 38 ASP CA C 13 54.684 0.100 . 1 . . . . . 38 ASP CA . 51051 1 178 . 1 . 1 38 38 ASP CB C 13 38.674 0.100 . 1 . . . . . 38 ASP CB . 51051 1 179 . 1 . 1 38 38 ASP N N 15 122.331 0.050 . 1 . . . . . 38 ASP N . 51051 1 180 . 1 . 1 39 39 ALA H H 1 8.201 0.010 . 1 . . . . . 39 ALA HN . 51051 1 181 . 1 . 1 39 39 ALA C C 13 177.294 0.100 . 1 . . . . . 39 ALA C . 51051 1 182 . 1 . 1 39 39 ALA CA C 13 53.180 0.100 . 1 . . . . . 39 ALA CA . 51051 1 183 . 1 . 1 39 39 ALA CB C 13 16.592 0.100 . 1 . . . . . 39 ALA CB . 51051 1 184 . 1 . 1 39 39 ALA N N 15 122.765 0.050 . 1 . . . . . 39 ALA N . 51051 1 185 . 1 . 1 40 40 GLU H H 1 7.985 0.010 . 1 . . . . . 40 GLU HN . 51051 1 186 . 1 . 1 40 40 GLU C C 13 175.869 0.100 . 1 . . . . . 40 GLU C . 51051 1 187 . 1 . 1 40 40 GLU CA C 13 56.994 0.100 . 1 . . . . . 40 GLU CA . 51051 1 188 . 1 . 1 40 40 GLU CB C 13 27.457 0.100 . 1 . . . . . 40 GLU CB . 51051 1 189 . 1 . 1 40 40 GLU N N 15 119.903 0.050 . 1 . . . . . 40 GLU N . 51051 1 190 . 1 . 1 41 41 ILE H H 1 7.898 0.010 . 1 . . . . . 41 ILE HN . 51051 1 191 . 1 . 1 41 41 ILE C C 13 176.015 0.100 . 1 . . . . . 41 ILE C . 51051 1 192 . 1 . 1 41 41 ILE CA C 13 62.574 0.100 . 1 . . . . . 41 ILE CA . 51051 1 193 . 1 . 1 41 41 ILE CB C 13 35.884 0.100 . 1 . . . . . 41 ILE CB . 51051 1 194 . 1 . 1 41 41 ILE N N 15 121.127 0.050 . 1 . . . . . 41 ILE N . 51051 1 195 . 1 . 1 42 42 LEU H H 1 7.852 0.010 . 1 . . . . . 42 LEU HN . 51051 1 196 . 1 . 1 42 42 LEU CA C 13 55.891 0.100 . 1 . . . . . 42 LEU CA . 51051 1 197 . 1 . 1 42 42 LEU CB C 13 39.915 0.100 . 1 . . . . . 42 LEU CB . 51051 1 198 . 1 . 1 42 42 LEU N N 15 120.703 0.050 . 1 . . . . . 42 LEU N . 51051 1 199 . 1 . 1 43 43 ARG H H 1 7.929 0.010 . 1 . . . . . 43 ARG HN . 51051 1 200 . 1 . 1 43 43 ARG CA C 13 57.444 0.100 . 1 . . . . . 43 ARG CA . 51051 1 201 . 1 . 1 43 43 ARG N N 15 120.103 0.050 . 1 . . . . . 43 ARG N . 51051 1 202 . 1 . 1 44 44 GLN H H 1 8.139 0.010 . 1 . . . . . 44 GLN HN . 51051 1 203 . 1 . 1 44 44 GLN C C 13 176.307 0.100 . 1 . . . . . 44 GLN C . 51051 1 204 . 1 . 1 44 44 GLN CA C 13 56.984 0.100 . 1 . . . . . 44 GLN CA . 51051 1 205 . 1 . 1 44 44 GLN CB C 13 26.438 0.100 . 1 . . . . . 44 GLN CB . 51051 1 206 . 1 . 1 44 44 GLN N N 15 119.487 0.050 . 1 . . . . . 44 GLN N . 51051 1 207 . 1 . 1 45 45 LYS H H 1 8.221 0.010 . 1 . . . . . 45 LYS HN . 51051 1 208 . 1 . 1 45 45 LYS C C 13 176.764 0.100 . 1 . . . . . 45 LYS C . 51051 1 209 . 1 . 1 45 45 LYS CA C 13 57.494 0.100 . 1 . . . . . 45 LYS CA . 51051 1 210 . 1 . 1 45 45 LYS CB C 13 30.760 0.100 . 1 . . . . . 45 LYS CB . 51051 1 211 . 1 . 1 45 45 LYS N N 15 121.452 0.050 . 1 . . . . . 45 LYS N . 51051 1 212 . 1 . 1 46 46 GLN H H 1 8.241 0.010 . 1 . . . . . 46 GLN HN . 51051 1 213 . 1 . 1 46 46 GLN C C 13 174.818 0.100 . 1 . . . . . 46 GLN C . 51051 1 214 . 1 . 1 46 46 GLN CA C 13 56.384 0.100 . 1 . . . . . 46 GLN CA . 51051 1 215 . 1 . 1 46 46 GLN CB C 13 26.482 0.100 . 1 . . . . . 46 GLN CB . 51051 1 216 . 1 . 1 46 46 GLN N N 15 120.845 0.050 . 1 . . . . . 46 GLN N . 51051 1 217 . 1 . 1 47 47 ALA H H 1 8.194 0.010 . 1 . . . . . 47 ALA HN . 51051 1 218 . 1 . 1 47 47 ALA C C 13 177.871 0.100 . 1 . . . . . 47 ALA C . 51051 1 219 . 1 . 1 47 47 ALA CA C 13 52.994 0.100 . 1 . . . . . 47 ALA CA . 51051 1 220 . 1 . 1 47 47 ALA CB C 13 16.028 0.100 . 1 . . . . . 47 ALA CB . 51051 1 221 . 1 . 1 47 47 ALA N N 15 122.331 0.050 . 1 . . . . . 47 ALA N . 51051 1 222 . 1 . 1 48 48 ALA H H 1 7.973 0.010 . 1 . . . . . 48 ALA HN . 51051 1 223 . 1 . 1 48 48 ALA C C 13 177.331 0.100 . 1 . . . . . 48 ALA C . 51051 1 224 . 1 . 1 48 48 ALA CA C 13 52.798 0.100 . 1 . . . . . 48 ALA CA . 51051 1 225 . 1 . 1 48 48 ALA CB C 13 16.141 0.100 . 1 . . . . . 48 ALA CB . 51051 1 226 . 1 . 1 48 48 ALA N N 15 121.565 0.050 . 1 . . . . . 48 ALA N . 51051 1 227 . 1 . 1 49 49 ALA H H 1 7.904 0.010 . 1 . . . . . 49 ALA HN . 51051 1 228 . 1 . 1 49 49 ALA C C 13 177.647 0.100 . 1 . . . . . 49 ALA C . 51051 1 229 . 1 . 1 49 49 ALA CA C 13 53.238 0.100 . 1 . . . . . 49 ALA CA . 51051 1 230 . 1 . 1 49 49 ALA CB C 13 16.150 0.100 . 1 . . . . . 49 ALA CB . 51051 1 231 . 1 . 1 49 49 ALA N N 15 122.803 0.050 . 1 . . . . . 49 ALA N . 51051 1 232 . 1 . 1 50 50 ASP H H 1 8.482 0.010 . 1 . . . . . 50 ASP HN . 51051 1 233 . 1 . 1 50 50 ASP C C 13 175.600 0.100 . 1 . . . . . 50 ASP C . 51051 1 234 . 1 . 1 50 50 ASP CA C 13 55.310 0.100 . 1 . . . . . 50 ASP CA . 51051 1 235 . 1 . 1 50 50 ASP CB C 13 38.390 0.100 . 1 . . . . . 50 ASP CB . 51051 1 236 . 1 . 1 50 50 ASP N N 15 120.471 0.050 . 1 . . . . . 50 ASP N . 51051 1 237 . 1 . 1 51 51 ALA H H 1 8.012 0.010 . 1 . . . . . 51 ALA HN . 51051 1 238 . 1 . 1 51 51 ALA C C 13 178.075 0.100 . 1 . . . . . 51 ALA C . 51051 1 239 . 1 . 1 51 51 ALA CA C 13 53.153 0.100 . 1 . . . . . 51 ALA CA . 51051 1 240 . 1 . 1 51 51 ALA CB C 13 16.352 0.100 . 1 . . . . . 51 ALA CB . 51051 1 241 . 1 . 1 51 51 ALA N N 15 122.857 0.050 . 1 . . . . . 51 ALA N . 51051 1 242 . 1 . 1 52 52 ARG H H 1 7.925 0.010 . 1 . . . . . 52 ARG HN . 51051 1 243 . 1 . 1 52 52 ARG CB C 13 28.150 0.100 . 1 . . . . . 52 ARG CB . 51051 1 244 . 1 . 1 52 52 ARG N N 15 119.852 0.050 . 1 . . . . . 52 ARG N . 51051 1 245 . 1 . 1 53 53 ARG H H 1 7.937 0.010 . 1 . . . . . 53 ARG HN . 51051 1 246 . 1 . 1 53 53 ARG C C 13 176.664 0.100 . 1 . . . . . 53 ARG C . 51051 1 247 . 1 . 1 53 53 ARG CA C 13 57.423 0.100 . 1 . . . . . 53 ARG CA . 51051 1 248 . 1 . 1 53 53 ARG CB C 13 28.271 0.100 . 1 . . . . . 53 ARG CB . 51051 1 249 . 1 . 1 53 53 ARG N N 15 120.063 0.050 . 1 . . . . . 53 ARG N . 51051 1 250 . 1 . 1 54 54 GLU H H 1 8.093 0.010 . 1 . . . . . 54 GLU HN . 51051 1 251 . 1 . 1 54 54 GLU C C 13 175.842 0.100 . 1 . . . . . 54 GLU C . 51051 1 252 . 1 . 1 54 54 GLU CA C 13 57.058 0.100 . 1 . . . . . 54 GLU CA . 51051 1 253 . 1 . 1 54 54 GLU CB C 13 27.344 0.100 . 1 . . . . . 54 GLU CB . 51051 1 254 . 1 . 1 54 54 GLU N N 15 119.596 0.050 . 1 . . . . . 54 GLU N . 51051 1 255 . 1 . 1 55 55 ALA H H 1 7.983 0.010 . 1 . . . . . 55 ALA HN . 51051 1 256 . 1 . 1 55 55 ALA C C 13 177.927 0.100 . 1 . . . . . 55 ALA C . 51051 1 257 . 1 . 1 55 55 ALA CA C 13 53.396 0.100 . 1 . . . . . 55 ALA CA . 51051 1 258 . 1 . 1 55 55 ALA CB C 13 16.161 0.100 . 1 . . . . . 55 ALA CB . 51051 1 259 . 1 . 1 55 55 ALA N N 15 122.466 0.050 . 1 . . . . . 55 ALA N . 51051 1 260 . 1 . 1 56 56 GLU H H 1 8.186 0.010 . 1 . . . . . 56 GLU HN . 51051 1 261 . 1 . 1 56 56 GLU C C 13 176.270 0.100 . 1 . . . . . 56 GLU C . 51051 1 262 . 1 . 1 56 56 GLU CA C 13 57.296 0.100 . 1 . . . . . 56 GLU CA . 51051 1 263 . 1 . 1 56 56 GLU CB C 13 27.634 0.100 . 1 . . . . . 56 GLU CB . 51051 1 264 . 1 . 1 56 56 GLU N N 15 119.049 0.050 . 1 . . . . . 56 GLU N . 51051 1 265 . 1 . 1 57 57 LYS H H 1 7.804 0.010 . 1 . . . . . 57 LYS HN . 51051 1 266 . 1 . 1 57 57 LYS C C 13 176.316 0.100 . 1 . . . . . 57 LYS C . 51051 1 267 . 1 . 1 57 57 LYS CA C 13 57.665 0.100 . 1 . . . . . 57 LYS CA . 51051 1 268 . 1 . 1 57 57 LYS CB C 13 30.530 0.100 . 1 . . . . . 57 LYS CB . 51051 1 269 . 1 . 1 57 57 LYS N N 15 120.471 0.050 . 1 . . . . . 57 LYS N . 51051 1 270 . 1 . 1 58 58 LEU H H 1 7.863 0.010 . 1 . . . . . 58 LEU HN . 51051 1 271 . 1 . 1 58 58 LEU C C 13 176.884 0.100 . 1 . . . . . 58 LEU C . 51051 1 272 . 1 . 1 58 58 LEU CA C 13 55.985 0.100 . 1 . . . . . 58 LEU CA . 51051 1 273 . 1 . 1 58 58 LEU CB C 13 39.775 0.100 . 1 . . . . . 58 LEU CB . 51051 1 274 . 1 . 1 58 58 LEU N N 15 119.660 0.050 . 1 . . . . . 58 LEU N . 51051 1 275 . 1 . 1 59 59 GLU H H 1 8.013 0.010 . 1 . . . . . 59 GLU HN . 51051 1 276 . 1 . 1 59 59 GLU C C 13 176.472 0.100 . 1 . . . . . 59 GLU C . 51051 1 277 . 1 . 1 59 59 GLU CA C 13 57.181 0.100 . 1 . . . . . 59 GLU CA . 51051 1 278 . 1 . 1 59 59 GLU CB C 13 27.614 0.100 . 1 . . . . . 59 GLU CB . 51051 1 279 . 1 . 1 59 59 GLU N N 15 119.890 0.050 . 1 . . . . . 59 GLU N . 51051 1 280 . 1 . 1 60 60 LYS H H 1 7.917 0.010 . 1 . . . . . 60 LYS HN . 51051 1 281 . 1 . 1 60 60 LYS C C 13 176.272 0.100 . 1 . . . . . 60 LYS C . 51051 1 282 . 1 . 1 60 60 LYS CA C 13 57.329 0.100 . 1 . . . . . 60 LYS CA . 51051 1 283 . 1 . 1 60 60 LYS CB C 13 30.428 0.100 . 1 . . . . . 60 LYS CB . 51051 1 284 . 1 . 1 60 60 LYS N N 15 120.427 0.050 . 1 . . . . . 60 LYS N . 51051 1 285 . 1 . 1 61 61 LEU H H 1 7.845 0.010 . 1 . . . . . 61 LEU HN . 51051 1 286 . 1 . 1 61 61 LEU C C 13 176.698 0.100 . 1 . . . . . 61 LEU C . 51051 1 287 . 1 . 1 61 61 LEU CA C 13 56.099 0.100 . 1 . . . . . 61 LEU CA . 51051 1 288 . 1 . 1 61 61 LEU CB C 13 40.001 0.100 . 1 . . . . . 61 LEU CB . 51051 1 289 . 1 . 1 61 61 LEU N N 15 120.580 0.050 . 1 . . . . . 61 LEU N . 51051 1 290 . 1 . 1 62 62 LYS H H 1 7.975 0.010 . 1 . . . . . 62 LYS HN . 51051 1 291 . 1 . 1 62 62 LYS C C 13 175.879 0.100 . 1 . . . . . 62 LYS C . 51051 1 292 . 1 . 1 62 62 LYS CA C 13 57.277 0.100 . 1 . . . . . 62 LYS CA . 51051 1 293 . 1 . 1 62 62 LYS CB C 13 30.668 0.100 . 1 . . . . . 62 LYS CB . 51051 1 294 . 1 . 1 62 62 LYS N N 15 120.091 0.050 . 1 . . . . . 62 LYS N . 51051 1 295 . 1 . 1 63 63 ALA H H 1 7.967 0.010 . 1 . . . . . 63 ALA HN . 51051 1 296 . 1 . 1 63 63 ALA C C 13 177.089 0.100 . 1 . . . . . 63 ALA C . 51051 1 297 . 1 . 1 63 63 ALA CA C 13 52.920 0.100 . 1 . . . . . 63 ALA CA . 51051 1 298 . 1 . 1 63 63 ALA CB C 13 16.189 0.100 . 1 . . . . . 63 ALA CB . 51051 1 299 . 1 . 1 63 63 ALA N N 15 122.420 0.050 . 1 . . . . . 63 ALA N . 51051 1 300 . 1 . 1 64 64 GLU H H 1 7.996 0.010 . 1 . . . . . 64 GLU HN . 51051 1 301 . 1 . 1 64 64 GLU C C 13 175.447 0.100 . 1 . . . . . 64 GLU C . 51051 1 302 . 1 . 1 64 64 GLU CA C 13 56.711 0.100 . 1 . . . . . 64 GLU CA . 51051 1 303 . 1 . 1 64 64 GLU CB C 13 27.630 0.100 . 1 . . . . . 64 GLU CB . 51051 1 304 . 1 . 1 64 64 GLU N N 15 119.374 0.050 . 1 . . . . . 64 GLU N . 51051 1 305 . 1 . 1 65 65 LYS H H 1 8.016 0.010 . 1 . . . . . 65 LYS HN . 51051 1 306 . 1 . 1 65 65 LYS C C 13 175.991 0.100 . 1 . . . . . 65 LYS C . 51051 1 307 . 1 . 1 65 65 LYS CA C 13 57.143 0.100 . 1 . . . . . 65 LYS CA . 51051 1 308 . 1 . 1 65 65 LYS CB C 13 30.529 0.100 . 1 . . . . . 65 LYS CB . 51051 1 309 . 1 . 1 65 65 LYS N N 15 120.029 0.050 . 1 . . . . . 65 LYS N . 51051 1 310 . 1 . 1 66 66 THR H H 1 7.976 0.010 . 1 . . . . . 66 THR HN . 51051 1 311 . 1 . 1 66 66 THR C C 13 172.603 0.100 . 1 . . . . . 66 THR C . 51051 1 312 . 1 . 1 66 66 THR CA C 13 62.907 0.100 . 1 . . . . . 66 THR CA . 51051 1 313 . 1 . 1 66 66 THR CB C 13 67.310 0.100 . 1 . . . . . 66 THR CB . 51051 1 314 . 1 . 1 66 66 THR N N 15 115.002 0.050 . 1 . . . . . 66 THR N . 51051 1 315 . 1 . 1 67 67 ARG H H 1 7.996 0.010 . 1 . . . . . 67 ARG HN . 51051 1 316 . 1 . 1 67 67 ARG C C 13 175.209 0.100 . 1 . . . . . 67 ARG C . 51051 1 317 . 1 . 1 67 67 ARG CA C 13 56.868 0.100 . 1 . . . . . 67 ARG CA . 51051 1 318 . 1 . 1 67 67 ARG CB C 13 28.382 0.100 . 1 . . . . . 67 ARG CB . 51051 1 319 . 1 . 1 67 67 ARG N N 15 122.272 0.050 . 1 . . . . . 67 ARG N . 51051 1 320 . 1 . 1 68 68 ARG H H 1 8.115 0.010 . 1 . . . . . 68 ARG HN . 51051 1 321 . 1 . 1 68 68 ARG C C 13 174.874 0.100 . 1 . . . . . 68 ARG C . 51051 1 322 . 1 . 1 68 68 ARG CA C 13 56.150 0.100 . 1 . . . . . 68 ARG CA . 51051 1 323 . 1 . 1 68 68 ARG CB C 13 28.559 0.100 . 1 . . . . . 68 ARG CB . 51051 1 324 . 1 . 1 68 68 ARG N N 15 120.181 0.050 . 1 . . . . . 68 ARG N . 51051 1 stop_ save_