################################### # 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 25173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25173 1 2 '3D HNCA' . . . 25173 1 3 '3D CBCA(CO)NH' . . . 25173 1 4 '3D HNCACB' . . . 25173 1 5 '3D HNCO' . . . 25173 1 6 '3D HN(CO)CA' . . . 25173 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 5 5 ASP H H 1 8.321 0.020 . 1 . . . . 2 ASP H . 25173 1 2 . 1 1 5 5 ASP C C 13 175.446 0.3 . 1 . . . . 2 ASP C . 25173 1 3 . 1 1 5 5 ASP CA C 13 54.423 0.3 . 1 . . . . 2 ASP CA . 25173 1 4 . 1 1 5 5 ASP CB C 13 41.177 0.3 . 1 . . . . 2 ASP CB . 25173 1 5 . 1 1 5 5 ASP N N 15 121.772 0.3 . 1 . . . . 2 ASP N . 25173 1 6 . 1 1 6 6 THR H H 1 8.068 0.020 . 1 . . . . 3 THR H . 25173 1 7 . 1 1 6 6 THR C C 13 178.561 0.3 . 1 . . . . 3 THR C . 25173 1 8 . 1 1 6 6 THR CA C 13 59.564 0.3 . 1 . . . . 3 THR CA . 25173 1 9 . 1 1 6 6 THR CB C 13 69.776 0.3 . 1 . . . . 3 THR CB . 25173 1 10 . 1 1 6 6 THR N N 15 116.266 0.3 . 1 . . . . 3 THR N . 25173 1 11 . 1 1 8 8 ASN H H 1 8.487 0.020 . 1 . . . . 5 ASN H . 25173 1 12 . 1 1 8 8 ASN C C 13 175.995 0.3 . 1 . . . . 5 ASN C . 25173 1 13 . 1 1 8 8 ASN CA C 13 53.191 0.3 . 1 . . . . 5 ASN CA . 25173 1 14 . 1 1 8 8 ASN CB C 13 38.891 0.3 . 1 . . . . 5 ASN CB . 25173 1 15 . 1 1 8 8 ASN N N 15 119.127 0.3 . 1 . . . . 5 ASN N . 25173 1 16 . 1 1 9 9 LYS H H 1 8.327 0.020 . 1 . . . . 6 LYS H . 25173 1 17 . 1 1 9 9 LYS C C 13 174.989 0.3 . 1 . . . . 6 LYS C . 25173 1 18 . 1 1 9 9 LYS CA C 13 56.648 0.3 . 1 . . . . 6 LYS CA . 25173 1 19 . 1 1 9 9 LYS CB C 13 32.807 0.3 . 1 . . . . 6 LYS CB . 25173 1 20 . 1 1 9 9 LYS N N 15 122.355 0.3 . 1 . . . . 6 LYS N . 25173 1 21 . 1 1 10 10 ASP H H 1 8.340 0.020 . 1 . . . . 7 ASP H . 25173 1 22 . 1 1 10 10 ASP C C 13 175.485 0.3 . 1 . . . . 7 ASP C . 25173 1 23 . 1 1 10 10 ASP CA C 13 54.731 0.3 . 1 . . . . 7 ASP CA . 25173 1 24 . 1 1 10 10 ASP CB C 13 40.986 0.3 . 1 . . . . 7 ASP CB . 25173 1 25 . 1 1 10 10 ASP N N 15 121.223 0.3 . 1 . . . . 7 ASP N . 25173 1 26 . 1 1 11 11 ASP H H 1 8.134 0.020 . 1 . . . . 8 ASP H . 25173 1 27 . 1 1 11 11 ASP C C 13 175.001 0.3 . 1 . . . . 8 ASP C . 25173 1 28 . 1 1 11 11 ASP CA C 13 54.105 0.3 . 1 . . . . 8 ASP CA . 25173 1 29 . 1 1 11 11 ASP CB C 13 40.923 0.3 . 1 . . . . 8 ASP CB . 25173 1 30 . 1 1 11 11 ASP N N 15 121.045 0.3 . 1 . . . . 8 ASP N . 25173 1 31 . 1 1 12 12 SER H H 1 8.252 0.020 . 1 . . . . 9 SER H . 25173 1 32 . 1 1 12 12 SER C C 13 178.057 0.3 . 1 . . . . 9 SER C . 25173 1 33 . 1 1 12 12 SER CA C 13 59.023 0.3 . 1 . . . . 9 SER CA . 25173 1 34 . 1 1 12 12 SER CB C 13 63.739 0.3 . 1 . . . . 9 SER CB . 25173 1 35 . 1 1 12 12 SER N N 15 116.217 0.3 . 1 . . . . 9 SER N . 25173 1 36 . 1 1 13 13 ILE H H 1 8.033 0.020 . 1 . . . . 10 ILE H . 25173 1 37 . 1 1 13 13 ILE C C 13 176.164 0.3 . 1 . . . . 10 ILE C . 25173 1 38 . 1 1 13 13 ILE CA C 13 60.390 0.3 . 1 . . . . 10 ILE CA . 25173 1 39 . 1 1 13 13 ILE CB C 13 38.181 0.3 . 1 . . . . 10 ILE CB . 25173 1 40 . 1 1 13 13 ILE N N 15 122.590 0.3 . 1 . . . . 10 ILE N . 25173 1 41 . 1 1 14 14 ILE H H 1 8.841 0.020 . 1 . . . . 11 ILE H . 25173 1 42 . 1 1 14 14 ILE C C 13 177.132 0.3 . 1 . . . . 11 ILE C . 25173 1 43 . 1 1 14 14 ILE CA C 13 58.952 0.3 . 1 . . . . 11 ILE CA . 25173 1 44 . 1 1 14 14 ILE CB C 13 38.813 0.3 . 1 . . . . 11 ILE CB . 25173 1 45 . 1 1 14 14 ILE N N 15 128.761 0.3 . 1 . . . . 11 ILE N . 25173 1 46 . 1 1 15 15 ARG H H 1 8.239 0.020 . 1 . . . . 12 ARG H . 25173 1 47 . 1 1 15 15 ARG C C 13 175.411 0.3 . 1 . . . . 12 ARG C . 25173 1 48 . 1 1 15 15 ARG CA C 13 54.400 0.3 . 1 . . . . 12 ARG CA . 25173 1 49 . 1 1 15 15 ARG CB C 13 32.170 0.3 . 1 . . . . 12 ARG CB . 25173 1 50 . 1 1 15 15 ARG N N 15 124.725 0.3 . 1 . . . . 12 ARG N . 25173 1 51 . 1 1 16 16 PHE H H 1 8.882 0.020 . 1 . . . . 13 PHE H . 25173 1 52 . 1 1 16 16 PHE C C 13 178.935 0.3 . 1 . . . . 13 PHE C . 25173 1 53 . 1 1 16 16 PHE CA C 13 55.789 0.3 . 1 . . . . 13 PHE CA . 25173 1 54 . 1 1 16 16 PHE CB C 13 40.689 0.3 . 1 . . . . 13 PHE CB . 25173 1 55 . 1 1 16 16 PHE N N 15 121.996 0.3 . 1 . . . . 13 PHE N . 25173 1 56 . 1 1 17 17 SER H H 1 8.360 0.020 . 1 . . . . 14 SER H . 25173 1 57 . 1 1 17 17 SER C C 13 177.843 0.3 . 1 . . . . 14 SER C . 25173 1 58 . 1 1 17 17 SER CA C 13 57.620 0.3 . 1 . . . . 14 SER CA . 25173 1 59 . 1 1 17 17 SER CB C 13 64.556 0.3 . 1 . . . . 14 SER CB . 25173 1 60 . 1 1 17 17 SER N N 15 114.994 0.3 . 1 . . . . 14 SER N . 25173 1 61 . 1 1 18 18 VAL H H 1 8.584 0.020 . 1 . . . . 15 VAL H . 25173 1 62 . 1 1 18 18 VAL C C 13 178.107 0.3 . 1 . . . . 15 VAL C . 25173 1 63 . 1 1 18 18 VAL CA C 13 60.148 0.3 . 1 . . . . 15 VAL CA . 25173 1 64 . 1 1 18 18 VAL CB C 13 34.487 0.3 . 1 . . . . 15 VAL CB . 25173 1 65 . 1 1 18 18 VAL N N 15 122.898 0.3 . 1 . . . . 15 VAL N . 25173 1 66 . 1 1 19 19 SER H H 1 8.042 0.020 . 1 . . . . 16 SER H . 25173 1 67 . 1 1 19 19 SER CA C 13 56.599 0.3 . 1 . . . . 16 SER CA . 25173 1 68 . 1 1 19 19 SER CB C 13 64.537 0.3 . 1 . . . . 16 SER CB . 25173 1 69 . 1 1 19 19 SER N N 15 118.778 0.3 . 1 . . . . 16 SER N . 25173 1 70 . 1 1 21 21 GLN H H 1 8.681 0.020 . 1 . . . . 18 GLN H . 25173 1 71 . 1 1 21 21 GLN C C 13 173.616 0.3 . 1 . . . . 18 GLN C . 25173 1 72 . 1 1 21 21 GLN CA C 13 56.971 0.3 . 1 . . . . 18 GLN CA . 25173 1 73 . 1 1 21 21 GLN CB C 13 29.348 0.3 . 1 . . . . 18 GLN CB . 25173 1 74 . 1 1 21 21 GLN N N 15 121.560 0.3 . 1 . . . . 18 GLN N . 25173 1 75 . 1 1 22 22 GLN H H 1 8.854 0.020 . 1 . . . . 19 GLN H . 25173 1 76 . 1 1 22 22 GLN C C 13 174.588 0.3 . 1 . . . . 19 GLN C . 25173 1 77 . 1 1 22 22 GLN CA C 13 59.212 0.3 . 1 . . . . 19 GLN CA . 25173 1 78 . 1 1 22 22 GLN CB C 13 29.043 0.3 . 1 . . . . 19 GLN CB . 25173 1 79 . 1 1 22 22 GLN N N 15 123.427 0.3 . 1 . . . . 19 GLN N . 25173 1 80 . 1 1 23 23 ASN H H 1 8.821 0.020 . 1 . . . . 20 ASN H . 25173 1 81 . 1 1 23 23 ASN C C 13 173.871 0.3 . 1 . . . . 20 ASN C . 25173 1 82 . 1 1 23 23 ASN CA C 13 56.540 0.3 . 1 . . . . 20 ASN CA . 25173 1 83 . 1 1 23 23 ASN CB C 13 36.878 0.3 . 1 . . . . 20 ASN CB . 25173 1 84 . 1 1 23 23 ASN N N 15 114.623 0.3 . 1 . . . . 20 ASN N . 25173 1 85 . 1 1 24 24 LEU H H 1 7.162 0.020 . 1 . . . . 21 LEU H . 25173 1 86 . 1 1 24 24 LEU C C 13 173.263 0.3 . 1 . . . . 21 LEU C . 25173 1 87 . 1 1 24 24 LEU CA C 13 56.668 0.3 . 1 . . . . 21 LEU CA . 25173 1 88 . 1 1 24 24 LEU CB C 13 41.697 0.3 . 1 . . . . 21 LEU CB . 25173 1 89 . 1 1 24 24 LEU N N 15 120.999 0.3 . 1 . . . . 21 LEU N . 25173 1 90 . 1 1 25 25 LEU H H 1 7.722 0.020 . 1 . . . . 22 LEU H . 25173 1 91 . 1 1 25 25 LEU C C 13 173.200 0.3 . 1 . . . . 22 LEU C . 25173 1 92 . 1 1 25 25 LEU CA C 13 57.469 0.3 . 1 . . . . 22 LEU CA . 25173 1 93 . 1 1 25 25 LEU CB C 13 41.690 0.3 . 1 . . . . 22 LEU CB . 25173 1 94 . 1 1 25 25 LEU N N 15 121.623 0.3 . 1 . . . . 22 LEU N . 25173 1 95 . 1 1 26 26 ASP H H 1 8.549 0.020 . 1 . . . . 23 ASP H . 25173 1 96 . 1 1 26 26 ASP C C 13 172.348 0.3 . 1 . . . . 23 ASP C . 25173 1 97 . 1 1 26 26 ASP CA C 13 57.515 0.3 . 1 . . . . 23 ASP CA . 25173 1 98 . 1 1 26 26 ASP CB C 13 39.806 0.3 . 1 . . . . 23 ASP CB . 25173 1 99 . 1 1 26 26 ASP N N 15 118.184 0.3 . 1 . . . . 23 ASP N . 25173 1 100 . 1 1 27 27 GLU H H 1 7.241 0.020 . 1 . . . . 24 GLU H . 25173 1 101 . 1 1 27 27 GLU C C 13 171.712 0.3 . 1 . . . . 24 GLU C . 25173 1 102 . 1 1 27 27 GLU CA C 13 58.795 0.3 . 1 . . . . 24 GLU CA . 25173 1 103 . 1 1 27 27 GLU CB C 13 29.033 0.3 . 1 . . . . 24 GLU CB . 25173 1 104 . 1 1 27 27 GLU N N 15 119.480 0.3 . 1 . . . . 24 GLU N . 25173 1 105 . 1 1 32 32 ILE H H 1 8.627 0.020 . 1 . . . . 29 ILE H . 25173 1 106 . 1 1 32 32 ILE C C 13 172.037 0.3 . 1 . . . . 29 ILE C . 25173 1 107 . 1 1 32 32 ILE CA C 13 57.234 0.3 . 1 . . . . 29 ILE CA . 25173 1 108 . 1 1 32 32 ILE CB C 13 39.401 0.3 . 1 . . . . 29 ILE CB . 25173 1 109 . 1 1 32 32 ILE N N 15 119.342 0.3 . 1 . . . . 29 ILE N . 25173 1 110 . 1 1 33 33 ILE H H 1 7.906 0.020 . 1 . . . . 30 ILE H . 25173 1 111 . 1 1 33 33 ILE C C 13 173.914 0.3 . 1 . . . . 30 ILE C . 25173 1 112 . 1 1 33 33 ILE CA C 13 55.828 0.3 . 1 . . . . 30 ILE CA . 25173 1 113 . 1 1 33 33 ILE CB C 13 38.462 0.3 . 1 . . . . 30 ILE CB . 25173 1 114 . 1 1 33 33 ILE N N 15 118.940 0.3 . 1 . . . . 30 ILE N . 25173 1 115 . 1 1 34 34 LYS H H 1 7.976 0.020 . 1 . . . . 31 LYS H . 25173 1 116 . 1 1 34 34 LYS C C 13 173.126 0.3 . 1 . . . . 31 LYS C . 25173 1 117 . 1 1 34 34 LYS CA C 13 57.973 0.3 . 1 . . . . 31 LYS CA . 25173 1 118 . 1 1 34 34 LYS CB C 13 32.721 0.3 . 1 . . . . 31 LYS CB . 25173 1 119 . 1 1 34 34 LYS N N 15 120.485 0.3 . 1 . . . . 31 LYS N . 25173 1 120 . 1 1 35 35 ASN H H 1 7.922 0.020 . 1 . . . . 32 ASN H . 25173 1 121 . 1 1 35 35 ASN C C 13 176.109 0.3 . 1 . . . . 32 ASN C . 25173 1 122 . 1 1 35 35 ASN CA C 13 53.188 0.3 . 1 . . . . 32 ASN CA . 25173 1 123 . 1 1 35 35 ASN CB C 13 39.321 0.3 . 1 . . . . 32 ASN CB . 25173 1 124 . 1 1 35 35 ASN N N 15 113.532 0.3 . 1 . . . . 32 ASN N . 25173 1 125 . 1 1 36 36 GLY H H 1 7.710 0.020 . 1 . . . . 33 GLY H . 25173 1 126 . 1 1 36 36 GLY C C 13 176.187 0.3 . 1 . . . . 33 GLY C . 25173 1 127 . 1 1 36 36 GLY CA C 13 46.765 0.3 . 1 . . . . 33 GLY CA . 25173 1 128 . 1 1 36 36 GLY N N 15 108.140 0.3 . 1 . . . . 33 GLY N . 25173 1 129 . 1 1 37 37 TYR H H 1 8.017 0.020 . 1 . . . . 34 TYR H . 25173 1 130 . 1 1 37 37 TYR C C 13 175.460 0.3 . 1 . . . . 34 TYR C . 25173 1 131 . 1 1 37 37 TYR CA C 13 58.325 0.3 . 1 . . . . 34 TYR CA . 25173 1 132 . 1 1 37 37 TYR CB C 13 40.760 0.3 . 1 . . . . 34 TYR CB . 25173 1 133 . 1 1 37 37 TYR N N 15 118.637 0.3 . 1 . . . . 34 TYR N . 25173 1 134 . 1 1 38 38 SER H H 1 9.162 0.020 . 1 . . . . 35 SER H . 25173 1 135 . 1 1 38 38 SER C C 13 176.884 0.3 . 1 . . . . 35 SER C . 25173 1 136 . 1 1 38 38 SER CA C 13 59.501 0.3 . 1 . . . . 35 SER CA . 25173 1 137 . 1 1 38 38 SER CB C 13 64.375 0.3 . 1 . . . . 35 SER CB . 25173 1 138 . 1 1 38 38 SER N N 15 113.817 0.3 . 1 . . . . 35 SER N . 25173 1 139 . 1 1 39 39 SER H H 1 7.548 0.020 . 1 . . . . 36 SER H . 25173 1 140 . 1 1 39 39 SER C C 13 177.365 0.3 . 1 . . . . 36 SER C . 25173 1 141 . 1 1 39 39 SER CA C 13 57.073 0.3 . 1 . . . . 36 SER CA . 25173 1 142 . 1 1 39 39 SER CB C 13 66.110 0.3 . 1 . . . . 36 SER CB . 25173 1 143 . 1 1 39 39 SER N N 15 111.845 0.3 . 1 . . . . 36 SER N . 25173 1 144 . 1 1 40 40 ARG H H 1 8.961 0.020 . 1 . . . . 37 ARG H . 25173 1 145 . 1 1 40 40 ARG C C 13 173.296 0.3 . 1 . . . . 37 ARG C . 25173 1 146 . 1 1 40 40 ARG CA C 13 59.566 0.3 . 1 . . . . 37 ARG CA . 25173 1 147 . 1 1 40 40 ARG CB C 13 30.924 0.3 . 1 . . . . 37 ARG CB . 25173 1 148 . 1 1 40 40 ARG N N 15 120.793 0.3 . 1 . . . . 37 ARG N . 25173 1 149 . 1 1 43 43 LEU CA C 13 62.945 0.3 . 1 . . . . 40 LEU CA . 25173 1 150 . 1 1 43 43 LEU CB C 13 30.777 0.3 . 1 . . . . 40 LEU CB . 25173 1 151 . 1 1 43 43 LEU N N 15 112.841 0.3 . 1 . . . . 40 LEU N . 25173 1 152 . 1 1 44 44 VAL H H 1 7.683 0.020 . 1 . . . . 41 VAL H . 25173 1 153 . 1 1 44 44 VAL C C 13 173.974 0.3 . 1 . . . . 41 VAL C . 25173 1 154 . 1 1 44 44 VAL CA C 13 59.686 0.3 . 1 . . . . 41 VAL CA . 25173 1 155 . 1 1 44 44 VAL CB C 13 30.734 0.3 . 1 . . . . 41 VAL CB . 25173 1 156 . 1 1 44 44 VAL N N 15 120.540 0.3 . 1 . . . . 41 VAL N . 25173 1 157 . 1 1 45 45 ARG H H 1 6.965 0.020 . 1 . . . . 42 ARG H . 25173 1 158 . 1 1 45 45 ARG C C 13 173.237 0.3 . 1 . . . . 42 ARG C . 25173 1 159 . 1 1 45 45 ARG CA C 13 57.851 0.3 . 1 . . . . 42 ARG CA . 25173 1 160 . 1 1 45 45 ARG CB C 13 30.673 0.3 . 1 . . . . 42 ARG CB . 25173 1 161 . 1 1 45 45 ARG N N 15 118.425 0.3 . 1 . . . . 42 ARG N . 25173 1 162 . 1 1 46 46 ASP H H 1 7.718 0.020 . 1 . . . . 43 ASP H . 25173 1 163 . 1 1 46 46 ASP C C 13 172.661 0.3 . 1 . . . . 43 ASP C . 25173 1 164 . 1 1 46 46 ASP CA C 13 57.544 0.3 . 1 . . . . 43 ASP CA . 25173 1 165 . 1 1 46 46 ASP CB C 13 39.571 0.3 . 1 . . . . 43 ASP CB . 25173 1 166 . 1 1 46 46 ASP N N 15 119.353 0.3 . 1 . . . . 43 ASP N . 25173 1 167 . 1 1 47 47 MET H H 1 8.397 0.020 . 1 . . . . 44 MET H . 25173 1 168 . 1 1 47 47 MET C C 13 173.078 0.3 . 1 . . . . 44 MET C . 25173 1 169 . 1 1 47 47 MET CA C 13 59.955 0.3 . 1 . . . . 44 MET CA . 25173 1 170 . 1 1 47 47 MET CB C 13 33.269 0.3 . 1 . . . . 44 MET CB . 25173 1 171 . 1 1 47 47 MET N N 15 120.614 0.3 . 1 . . . . 44 MET N . 25173 1 172 . 1 1 49 49 ARG H H 1 8.447 0.020 . 1 . . . . 46 ARG H . 25173 1 173 . 1 1 49 49 ARG C C 13 172.874 0.3 . 1 . . . . 46 ARG C . 25173 1 174 . 1 1 49 49 ARG CA C 13 60.505 0.3 . 1 . . . . 46 ARG CA . 25173 1 175 . 1 1 49 49 ARG CB C 13 29.970 0.3 . 1 . . . . 46 ARG CB . 25173 1 176 . 1 1 49 49 ARG N N 15 118.724 0.3 . 1 . . . . 46 ARG N . 25173 1 177 . 1 1 50 50 GLU H H 1 8.005 0.020 . 1 . . . . 47 GLU H . 25173 1 178 . 1 1 50 50 GLU C C 13 172.490 0.3 . 1 . . . . 47 GLU C . 25173 1 179 . 1 1 50 50 GLU CA C 13 59.247 0.3 . 1 . . . . 47 GLU CA . 25173 1 180 . 1 1 50 50 GLU CB C 13 29.813 0.3 . 1 . . . . 47 GLU CB . 25173 1 181 . 1 1 50 50 GLU N N 15 116.650 0.3 . 1 . . . . 47 GLU N . 25173 1 182 . 1 1 51 51 LYS H H 1 7.795 0.020 . 1 . . . . 48 LYS H . 25173 1 183 . 1 1 51 51 LYS C C 13 172.888 0.3 . 1 . . . . 48 LYS C . 25173 1 184 . 1 1 51 51 LYS CA C 13 57.153 0.3 . 1 . . . . 48 LYS CA . 25173 1 185 . 1 1 51 51 LYS CB C 13 31.544 0.3 . 1 . . . . 48 LYS CB . 25173 1 186 . 1 1 51 51 LYS N N 15 118.338 0.3 . 1 . . . . 48 LYS N . 25173 1 187 . 1 1 52 52 LEU H H 1 8.161 0.020 . 1 . . . . 49 LEU H . 25173 1 188 . 1 1 52 52 LEU CA C 13 56.924 0.3 . 1 . . . . 49 LEU CA . 25173 1 189 . 1 1 52 52 LEU CB C 13 42.196 0.3 . 1 . . . . 49 LEU CB . 25173 1 190 . 1 1 52 52 LEU N N 15 118.191 0.3 . 1 . . . . 49 LEU N . 25173 1 191 . 1 1 53 53 VAL H H 1 7.643 0.020 . 1 . . . . 50 VAL H . 25173 1 192 . 1 1 53 53 VAL C C 13 173.990 0.3 . 1 . . . . 50 VAL C . 25173 1 193 . 1 1 53 53 VAL CA C 13 63.828 0.3 . 1 . . . . 50 VAL CA . 25173 1 194 . 1 1 53 53 VAL CB C 13 32.040 0.3 . 1 . . . . 50 VAL CB . 25173 1 195 . 1 1 53 53 VAL N N 15 116.712 0.3 . 1 . . . . 50 VAL N . 25173 1 196 . 1 1 54 54 GLU H H 1 7.893 0.020 . 1 . . . . 51 GLU H . 25173 1 197 . 1 1 54 54 GLU C C 13 174.410 0.3 . 1 . . . . 51 GLU C . 25173 1 198 . 1 1 54 54 GLU CA C 13 57.585 0.3 . 1 . . . . 51 GLU CA . 25173 1 199 . 1 1 54 54 GLU CB C 13 30.045 0.3 . 1 . . . . 51 GLU CB . 25173 1 200 . 1 1 54 54 GLU N N 15 122.162 0.3 . 1 . . . . 51 GLU N . 25173 1 201 . 1 1 56 56 ASN H H 1 8.100 0.020 . 1 . . . . 53 ASN H . 25173 1 202 . 1 1 56 56 ASN C C 13 176.219 0.3 . 1 . . . . 53 ASN C . 25173 1 203 . 1 1 56 56 ASN CA C 13 53.614 0.3 . 1 . . . . 53 ASN CA . 25173 1 204 . 1 1 56 56 ASN CB C 13 38.569 0.3 . 1 . . . . 53 ASN CB . 25173 1 205 . 1 1 56 56 ASN N N 15 117.936 0.3 . 1 . . . . 53 ASN N . 25173 1 206 . 1 1 57 57 TRP H H 1 8.075 0.020 . 1 . . . . 54 TRP H . 25173 1 207 . 1 1 57 57 TRP C C 13 175.298 0.3 . 1 . . . . 54 TRP C . 25173 1 208 . 1 1 57 57 TRP CA C 13 57.853 0.3 . 1 . . . . 54 TRP CA . 25173 1 209 . 1 1 57 57 TRP CB C 13 29.355 0.3 . 1 . . . . 54 TRP CB . 25173 1 210 . 1 1 57 57 TRP N N 15 121.709 0.3 . 1 . . . . 54 TRP N . 25173 1 211 . 1 1 58 58 ALA H H 1 7.926 0.020 . 1 . . . . 55 ALA H . 25173 1 212 . 1 1 58 58 ALA C C 13 174.112 0.3 . 1 . . . . 55 ALA C . 25173 1 213 . 1 1 58 58 ALA CA C 13 52.427 0.3 . 1 . . . . 55 ALA CA . 25173 1 214 . 1 1 58 58 ALA CB C 13 19.402 0.3 . 1 . . . . 55 ALA CB . 25173 1 215 . 1 1 58 58 ALA N N 15 125.297 0.3 . 1 . . . . 55 ALA N . 25173 1 216 . 1 1 59 59 GLU H H 1 7.975 0.020 . 1 . . . . 56 GLU H . 25173 1 217 . 1 1 59 59 GLU C C 13 175.227 0.3 . 1 . . . . 56 GLU C . 25173 1 218 . 1 1 59 59 GLU CA C 13 56.533 0.3 . 1 . . . . 56 GLU CA . 25173 1 219 . 1 1 59 59 GLU CB C 13 30.275 0.3 . 1 . . . . 56 GLU CB . 25173 1 220 . 1 1 59 59 GLU N N 15 119.652 0.3 . 1 . . . . 56 GLU N . 25173 1 221 . 1 1 60 60 ASP H H 1 8.168 0.020 . 1 . . . . 57 ASP H . 25173 1 222 . 1 1 60 60 ASP C C 13 175.933 0.3 . 1 . . . . 57 ASP C . 25173 1 223 . 1 1 60 60 ASP CA C 13 54.263 0.3 . 1 . . . . 57 ASP CA . 25173 1 224 . 1 1 60 60 ASP CB C 13 41.143 0.3 . 1 . . . . 57 ASP CB . 25173 1 225 . 1 1 60 60 ASP N N 15 120.719 0.3 . 1 . . . . 57 ASP N . 25173 1 226 . 1 1 61 61 ASN H H 1 8.249 0.020 . 1 . . . . 58 ASN H . 25173 1 227 . 1 1 61 61 ASN C C 13 178.152 0.3 . 1 . . . . 58 ASN C . 25173 1 228 . 1 1 61 61 ASN CA C 13 51.213 0.3 . 1 . . . . 58 ASN CA . 25173 1 229 . 1 1 61 61 ASN CB C 13 39.042 0.3 . 1 . . . . 58 ASN CB . 25173 1 230 . 1 1 61 61 ASN N N 15 119.919 0.3 . 1 . . . . 58 ASN N . 25173 1 231 . 1 1 63 63 ASN H H 1 8.387 0.020 . 1 . . . . 60 ASN H . 25173 1 232 . 1 1 63 63 ASN C C 13 177.325 0.3 . 1 . . . . 60 ASN C . 25173 1 233 . 1 1 63 63 ASN CA C 13 53.251 0.3 . 1 . . . . 60 ASN CA . 25173 1 234 . 1 1 63 63 ASN CB C 13 39.312 0.3 . 1 . . . . 60 ASN CB . 25173 1 235 . 1 1 63 63 ASN N N 15 118.699 0.3 . 1 . . . . 60 ASN N . 25173 1 236 . 1 1 64 64 ASP H H 1 7.763 0.020 . 1 . . . . 61 ASP H . 25173 1 237 . 1 1 64 64 ASP C C 13 170.514 0.3 . 1 . . . . 61 ASP C . 25173 1 238 . 1 1 64 64 ASP CA C 13 55.899 0.3 . 1 . . . . 61 ASP CA . 25173 1 239 . 1 1 64 64 ASP CB C 13 42.181 0.3 . 1 . . . . 61 ASP CB . 25173 1 240 . 1 1 64 64 ASP N N 15 126.020 0.3 . 1 . . . . 61 ASP N . 25173 1 stop_ save_