################################### # 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 52607 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ago2_Nterm_assignment _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' . . . 52607 1 2 '3D HNCACB' . . . 52607 1 3 '3D CBCACONH' . . . 52607 1 4 '3D HNCO' . . . 52607 1 5 '3D HNCACO' . . . 52607 1 6 '3D C(CO)NH' . . . 52607 1 7 '3D H(CCO)NH' . . . 52607 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 3 $software_3 . . 52607 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 H H 1 8.492 0.001 . 1 . . . . . 1 M HN . 52607 1 2 . 1 . 1 1 1 MET CA C 13 52.865 0.037 . 1 . . . . . 1 M CA . 52607 1 3 . 1 . 1 1 1 MET CB C 13 30.155 0.048 . 1 . . . . . 1 M CB . 52607 1 4 . 1 . 1 1 1 MET N N 15 119.823 0.007 . 1 . . . . . 1 M N . 52607 1 5 . 1 . 1 2 2 GLY H H 1 8.385 0.003 . 1 . . . . . 2 G HN . 52607 1 6 . 1 . 1 2 2 GLY CA C 13 42.515 0.055 . 1 . . . . . 2 G CA . 52607 1 7 . 1 . 1 2 2 GLY N N 15 110.289 0.058 . 1 . . . . . 2 G N . 52607 1 8 . 1 . 1 3 3 LYS H H 1 8.157 0.002 . 1 . . . . . 3 K HN . 52607 1 9 . 1 . 1 3 3 LYS CA C 13 53.75 0.055 . 1 . . . . . 3 K CA . 52607 1 10 . 1 . 1 3 3 LYS CB C 13 30.141 0.165 . 1 . . . . . 3 K CB . 52607 1 11 . 1 . 1 3 3 LYS CG C 13 22.014 0 . 1 . . . . . 3 K CG . 52607 1 12 . 1 . 1 3 3 LYS CD C 13 26.2 0 . 1 . . . . . 3 K CD . 52607 1 13 . 1 . 1 3 3 LYS CE C 13 39.347 0 . 1 . . . . . 3 K CE . 52607 1 14 . 1 . 1 3 3 LYS N N 15 120.891 0.029 . 1 . . . . . 3 K N . 52607 1 15 . 1 . 1 4 4 LYS H H 1 8.178 0 . 1 . . . . . 4 K HN . 52607 1 16 . 1 . 1 4 4 LYS CA C 13 53.693 0 . 1 . . . . . 4 K CA . 52607 1 17 . 1 . 1 4 4 LYS CB C 13 30.25 0 . 1 . . . . . 4 K CB . 52607 1 18 . 1 . 1 4 4 LYS CG C 13 21.98 0 . 1 . . . . . 4 K CG . 52607 1 19 . 1 . 1 4 4 LYS CD C 13 26.133 0 . 1 . . . . . 4 K CD . 52607 1 20 . 1 . 1 4 4 LYS CE C 13 39.58 0 . 1 . . . . . 4 K CE . 52607 1 21 . 1 . 1 4 4 LYS N N 15 122.072 0.009 . 1 . . . . . 4 K N . 52607 1 22 . 1 . 1 5 5 ASP H H 1 8.245 0.001 . 1 . . . . . 5 D HN . 52607 1 23 . 1 . 1 5 5 ASP CA C 13 51.515 0.017 . 1 . . . . . 5 D CA . 52607 1 24 . 1 . 1 5 5 ASP CB C 13 38.67 0.029 . 1 . . . . . 5 D CB . 52607 1 25 . 1 . 1 5 5 ASP N N 15 121.743 0.014 . 1 . . . . . 5 D N . 52607 1 26 . 1 . 1 6 6 LYS H H 1 8.278 0.001 . 1 . . . . . 6 K HN . 52607 1 27 . 1 . 1 6 6 LYS CA C 13 54.07 0.087 . 1 . . . . . 6 K CA . 52607 1 28 . 1 . 1 6 6 LYS CB C 13 29.974 0.092 . 1 . . . . . 6 K CB . 52607 1 29 . 1 . 1 6 6 LYS CG C 13 21.827 0 . 1 . . . . . 6 K CG . 52607 1 30 . 1 . 1 6 6 LYS CD C 13 26.295 0 . 1 . . . . . 6 K CD . 52607 1 31 . 1 . 1 6 6 LYS CE C 13 39.263 0 . 1 . . . . . 6 K CE . 52607 1 32 . 1 . 1 6 6 LYS N N 15 121.999 0.039 . 1 . . . . . 6 K N . 52607 1 33 . 1 . 1 7 7 ASN H H 1 8.393 0.002 . 1 . . . . . 7 N HN . 52607 1 34 . 1 . 1 7 7 ASN HD21 H 1 7.612 0 . 1 . . . . . 7 N HD21 . 52607 1 35 . 1 . 1 7 7 ASN HD22 H 1 6.876 0 . 1 . . . . . 7 N HD22 . 52607 1 36 . 1 . 1 7 7 ASN CA C 13 50.75 0.09 . 1 . . . . . 7 N CA . 52607 1 37 . 1 . 1 7 7 ASN CB C 13 36.139 0.045 . 1 . . . . . 7 N CB . 52607 1 38 . 1 . 1 7 7 ASN N N 15 118.817 0.019 . 1 . . . . . 7 N N . 52607 1 39 . 1 . 1 7 7 ASN ND2 N 15 113.29 0 . 1 . . . . . 7 N ND2 . 52607 1 40 . 1 . 1 8 8 LYS H H 1 8.074 0.004 . 1 . . . . . 8 K HN . 52607 1 41 . 1 . 1 8 8 LYS CA C 13 53.441 0 . 1 . . . . . 8 K CA . 52607 1 42 . 1 . 1 8 8 LYS CB C 13 30.208 0.051 . 1 . . . . . 8 K CB . 52607 1 43 . 1 . 1 8 8 LYS CG C 13 21.956 0 . 1 . . . . . 8 K CG . 52607 1 44 . 1 . 1 8 8 LYS CD C 13 26.507 0 . 1 . . . . . 8 K CD . 52607 1 45 . 1 . 1 8 8 LYS CE C 13 39.289 0 . 1 . . . . . 8 K CE . 52607 1 46 . 1 . 1 8 8 LYS N N 15 121.725 0.065 . 1 . . . . . 8 K N . 52607 1 47 . 1 . 1 9 9 LYS H H 1 8.339 0.004 . 1 . . . . . 9 K HN . 52607 1 48 . 1 . 1 9 9 LYS CB C 13 30.343 0 . 1 . . . . . 9 K CB . 52607 1 49 . 1 . 1 9 9 LYS CG C 13 21.989 0 . 1 . . . . . 9 K CG . 52607 1 50 . 1 . 1 9 9 LYS CD C 13 29.243 0 . 1 . . . . . 9 K CD . 52607 1 51 . 1 . 1 9 9 LYS CE C 13 39.288 0 . 1 . . . . . 9 K CE . 52607 1 52 . 1 . 1 9 9 LYS N N 15 122.905 0.079 . 1 . . . . . 9 K N . 52607 1 53 . 1 . 1 10 10 GLY H H 1 8.389 0.002 . 1 . . . . . 10 G HN . 52607 1 54 . 1 . 1 10 10 GLY CA C 13 42.538 0 . 1 . . . . . 10 G CA . 52607 1 55 . 1 . 1 10 10 GLY N N 15 110.34 0.064 . 1 . . . . . 10 G N . 52607 1 56 . 1 . 1 11 11 GLY H H 1 8.249 0 . 1 . . . . . 11 G HN . 52607 1 57 . 1 . 1 11 11 GLY CA C 13 42.545 0.028 . 1 . . . . . 11 G CA . 52607 1 58 . 1 . 1 11 11 GLY N N 15 108.646 0.008 . 1 . . . . . 11 G N . 52607 1 59 . 1 . 1 12 12 GLN H H 1 8.29 0.001 . 1 . . . . . 12 Q H . 52607 1 60 . 1 . 1 12 12 GLN CA C 13 53.203 0 . 1 . . . . . 12 Q CA . 52607 1 61 . 1 . 1 12 12 GLN CB C 13 26.757 0 . 1 . . . . . 12 Q CB . 52607 1 62 . 1 . 1 12 12 GLN N N 15 119.725 0.014 . 1 . . . . . 12 Q N . 52607 1 63 . 1 . 1 13 13 ASP H H 1 8.388 0.002 . 1 . . . . . 13 D HN . 52607 1 64 . 1 . 1 13 13 ASP CA C 13 51.64 0.204 . 1 . . . . . 13 D CA . 52607 1 65 . 1 . 1 13 13 ASP CB C 13 38.474 0.052 . 1 . . . . . 13 D CB . 52607 1 66 . 1 . 1 13 13 ASP N N 15 121.638 0.002 . 1 . . . . . 13 D N . 52607 1 67 . 1 . 1 14 14 SER H H 1 8.188 0.001 . 1 . . . . . 14 S HN . 52607 1 68 . 1 . 1 14 14 SER CA C 13 55.929 0.117 . 1 . . . . . 14 S CA . 52607 1 69 . 1 . 1 14 14 SER CB C 13 61.084 0.095 . 1 . . . . . 14 S CB . 52607 1 70 . 1 . 1 14 14 SER N N 15 116.438 0.01 . 1 . . . . . 14 S N . 52607 1 71 . 1 . 1 15 15 ALA H H 1 8.207 0.001 . 1 . . . . . 15 A HN . 52607 1 72 . 1 . 1 15 15 ALA CA C 13 49.719 0.054 . 1 . . . . . 15 A CA . 52607 1 73 . 1 . 1 15 15 ALA CB C 13 16.464 0.014 . 1 . . . . . 15 A CB . 52607 1 74 . 1 . 1 15 15 ALA N N 15 125.67 0.012 . 1 . . . . . 15 A N . 52607 1 75 . 1 . 1 16 16 ALA H H 1 8.006 0.001 . 1 . . . . . 16 A HN . 52607 1 76 . 1 . 1 16 16 ALA CA C 13 49.367 0.088 . 1 . . . . . 16 A CA . 52607 1 77 . 1 . 1 16 16 ALA CB C 13 16.548 0.006 . 1 . . . . . 16 A CB . 52607 1 78 . 1 . 1 16 16 ALA N N 15 122.982 0.005 . 1 . . . . . 16 A N . 52607 1 79 . 1 . 1 17 17 ALA H H 1 8.102 0.001 . 1 . . . . . 17 A HN . 52607 1 80 . 1 . 1 17 17 ALA CA C 13 47.684 0 . 1 . . . . . 17 A CA . 52607 1 81 . 1 . 1 17 17 ALA CB C 13 15.397 0 . 1 . . . . . 17 A CB . 52607 1 82 . 1 . 1 17 17 ALA N N 15 124.786 0.008 . 1 . . . . . 17 A N . 52607 1 83 . 1 . 1 18 18 PRO CA C 13 60.363 0.12 . 1 . . . . . 18 P CA . 52607 1 84 . 1 . 1 18 18 PRO CB C 13 29.261 0.131 . 1 . . . . . 18 P CB . 52607 1 85 . 1 . 1 18 18 PRO CG C 13 24.682 0 . 1 . . . . . 18 P CG . 52607 1 86 . 1 . 1 18 18 PRO CD C 13 47.733 0 . 1 . . . . . 18 P CD . 52607 1 87 . 1 . 1 19 19 GLN H H 1 8.06 0.001 . 1 . . . . . 19 Q HN . 52607 1 88 . 1 . 1 19 19 GLN CA C 13 50.23 0 . 1 . . . . . 19 Q CA . 52607 1 89 . 1 . 1 19 19 GLN CB C 13 27.475 0 . 1 . . . . . 19 Q CB . 52607 1 90 . 1 . 1 19 19 GLN N N 15 118.993 0.02 . 1 . . . . . 19 Q N . 52607 1 91 . 1 . 1 36 36 GLN CA C 13 53.034 0.018 . 1 . . . . . 36 Q CA . 52607 1 92 . 1 . 1 36 36 GLN CB C 13 26.616 0.08 . 1 . . . . . 36 Q CB . 52607 1 93 . 1 . 1 36 36 GLN CG C 13 30.995 0 . 1 . . . . . 36 Q CG . 52607 1 94 . 1 . 1 37 37 LEU H H 1 8.208 0.001 . 5 . . . . . 37 L HN . 52607 1 95 . 1 . 1 37 37 LEU CA C 13 52.499 0.125 . 5 . . . . . 37 L CA . 52607 1 96 . 1 . 1 37 37 LEU CB C 13 39.629 0.052 . 5 . . . . . 37 L CB . 52607 1 97 . 1 . 1 37 37 LEU CG C 13 24.308 0 . 5 . . . . . 37 L CG . 52607 1 98 . 1 . 1 37 37 LEU CD1 C 13 22.012 0 . 5 . . . . . 37 L CD . 52607 1 99 . 1 . 1 37 37 LEU CD2 C 13 22.012 0 . 5 . . . . . 37 L CD . 52607 1 100 . 1 . 1 37 37 LEU N N 15 123.522 0.008 . 5 . . . . . 37 L N . 52607 1 101 . 1 . 1 38 38 GLN H H 1 8.286 0.002 . 5 . . . . . 38 Q HN . 52607 1 102 . 1 . 1 38 38 GLN CA C 13 52.869 0 . 5 . . . . . 38 Q CA . 52607 1 103 . 1 . 1 38 38 GLN CB C 13 26.776 0 . 5 . . . . . 38 Q CB . 52607 1 104 . 1 . 1 38 38 GLN N N 15 121.167 0.014 . 5 . . . . . 38 Q N . 52607 1 105 . 1 . 1 42 42 GLN CA C 13 53.034 0.018 . 5 . . . . . 42 Q CA . 52607 1 106 . 1 . 1 42 42 GLN CB C 13 26.616 0.08 . 5 . . . . . 42 Q CB . 52607 1 107 . 1 . 1 42 42 GLN CG C 13 30.995 0 . 5 . . . . . 42 Q CG . 52607 1 108 . 1 . 1 43 43 LEU H H 1 8.208 0.001 . 5 . . . . . 43 L HN . 52607 1 109 . 1 . 1 43 43 LEU CA C 13 52.41 0.005 . 5 . . . . . 43 L CA . 52607 1 110 . 1 . 1 43 43 LEU CB C 13 39.629 0.052 . 5 . . . . . 43 L CB . 52607 1 111 . 1 . 1 43 43 LEU CG C 13 24.308 0 . 5 . . . . . 43 L CG . 52607 1 112 . 1 . 1 43 43 LEU CD1 C 13 22.012 0 . 5 . . . . . 43 L CD . 52607 1 113 . 1 . 1 43 43 LEU CD2 C 13 22.012 0 . 5 . . . . . 43 L CD . 52607 1 114 . 1 . 1 43 43 LEU N N 15 123.522 0.008 . 5 . . . . . 43 L N . 52607 1 115 . 1 . 1 44 44 GLN H H 1 8.286 0.002 . 1 . . . . . 44 Q HN . 52607 1 116 . 1 . 1 44 44 GLN CA C 13 52.881 0 . 1 . . . . . 44 Q CA . 52607 1 117 . 1 . 1 44 44 GLN CB C 13 26.776 0 . 1 . . . . . 44 Q CB . 52607 1 118 . 1 . 1 44 44 GLN N N 15 121.168 0.014 . 1 . . . . . 44 Q N . 52607 1 119 . 1 . 1 54 54 PRO CA C 13 60.648 0.093 . 1 . . . . . 54 P CA . 52607 1 120 . 1 . 1 54 54 PRO CB C 13 29.354 0.03 . 1 . . . . . 54 P CB . 52607 1 121 . 1 . 1 54 54 PRO CG C 13 24.512 0 . 1 . . . . . 54 P CG . 52607 1 122 . 1 . 1 54 54 PRO CD C 13 47.77 0 . 1 . . . . . 54 P CD . 52607 1 123 . 1 . 1 55 55 HIS H H 1 8.335 0.002 . 1 . . . . . 55 H HN . 52607 1 124 . 1 . 1 55 55 HIS CA C 13 53.562 0.038 . 1 . . . . . 55 H CA . 52607 1 125 . 1 . 1 55 55 HIS CB C 13 27.408 0.025 . 1 . . . . . 55 H CB . 52607 1 126 . 1 . 1 55 55 HIS N N 15 118.891 0.012 . 1 . . . . . 55 H N . 52607 1 127 . 1 . 1 56 56 GLN H H 1 8.212 0.001 . 1 . . . . . 56 Q HN . 52607 1 128 . 1 . 1 56 56 GLN CA C 13 53.348 0 . 1 . . . . . 56 Q CA . 52607 1 129 . 1 . 1 56 56 GLN CB C 13 26.909 0 . 1 . . . . . 56 Q CB . 52607 1 130 . 1 . 1 56 56 GLN N N 15 121.467 0.017 . 1 . . . . . 56 Q N . 52607 1 131 . 1 . 1 60 60 GLN CA C 13 53.312 0.032 . 1 . . . . . 60 Q CA . 52607 1 132 . 1 . 1 60 60 GLN CB C 13 26.645 0.065 . 1 . . . . . 60 Q CB . 52607 1 133 . 1 . 1 60 60 GLN CG C 13 30.955 0 . 1 . . . . . 60 Q CG . 52607 1 134 . 1 . 1 61 61 SER H H 1 8.347 0.002 . 1 . . . . . 61 S HN . 52607 1 135 . 1 . 1 61 61 SER CA C 13 55.94 0 . 1 . . . . . 61 S CA . 52607 1 136 . 1 . 1 61 61 SER CB C 13 61.129 0 . 1 . . . . . 61 S CB . 52607 1 137 . 1 . 1 61 61 SER N N 15 116.991 0.02 . 1 . . . . . 61 S N . 52607 1 138 . 1 . 1 62 62 SER H H 1 8.297 0 . 1 . . . . . 62 S HN . 52607 1 139 . 1 . 1 62 62 SER CA C 13 55.781 0 . 1 . . . . . 62 S CA . 52607 1 140 . 1 . 1 62 62 SER CB C 13 60.926 0 . 1 . . . . . 62 S CB . 52607 1 141 . 1 . 1 62 62 SER N N 15 117.715 0 . 1 . . . . . 62 S N . 52607 1 142 . 1 . 1 63 63 ARG H H 1 8.221 0.002 . 1 . . . . . 63 R HN . 52607 1 143 . 1 . 1 63 63 ARG CA C 13 53.555 0 . 1 . . . . . 63 R CA . 52607 1 144 . 1 . 1 63 63 ARG CB C 13 27.906 0.032 . 1 . . . . . 63 R CB . 52607 1 145 . 1 . 1 63 63 ARG CG C 13 24.347 0 . 1 . . . . . 63 R CG . 52607 1 146 . 1 . 1 63 63 ARG CD C 13 40.552 0 . 1 . . . . . 63 R CD . 52607 1 147 . 1 . 1 63 63 ARG N N 15 122.481 0.016 . 1 . . . . . 63 R N . 52607 1 148 . 1 . 1 64 64 GLN H H 1 8.265 0.002 . 1 . . . . . 64 Q HN . 52607 1 149 . 1 . 1 64 64 GLN N N 15 121.372 0.018 . 1 . . . . . 64 Q N . 52607 1 150 . 1 . 1 65 65 GLN H H 1 8.379 0 . 1 . . . . . 65 Q HN . 52607 1 151 . 1 . 1 65 65 GLN N N 15 121.559 0 . 1 . . . . . 65 Q N . 52607 1 152 . 1 . 1 66 66 PRO CA C 13 60.371 0.103 . 1 . . . . . 66 P CA . 52607 1 153 . 1 . 1 66 66 PRO CB C 13 29.41 0.074 . 1 . . . . . 66 P CB . 52607 1 154 . 1 . 1 66 66 PRO CG C 13 24.545 0 . 1 . . . . . 66 P CG . 52607 1 155 . 1 . 1 66 66 PRO CD C 13 47.821 0 . 1 . . . . . 66 P CD . 52607 1 156 . 1 . 1 67 67 SER H H 1 8.454 0.001 . 1 . . . . . 67 S HN . 52607 1 157 . 1 . 1 67 67 SER CA C 13 55.655 0.073 . 1 . . . . . 67 S CA . 52607 1 158 . 1 . 1 67 67 SER CB C 13 61.073 0.077 . 1 . . . . . 67 S CB . 52607 1 159 . 1 . 1 67 67 SER N N 15 116.223 0.01 . 1 . . . . . 67 S N . 52607 1 160 . 1 . 1 68 68 THR H H 1 8.156 0.001 . 1 . . . . . 68 T HN . 52607 1 161 . 1 . 1 68 68 THR CA C 13 59.007 0.128 . 1 . . . . . 68 T CA . 52607 1 162 . 1 . 1 68 68 THR CB C 13 67.054 0.052 . 1 . . . . . 68 T CB . 52607 1 163 . 1 . 1 68 68 THR CG2 C 13 18.714 0 . 1 . . . . . 68 T CG2 . 52607 1 164 . 1 . 1 68 68 THR N N 15 115.308 0.006 . 1 . . . . . 68 T N . 52607 1 165 . 1 . 1 69 69 SER H H 1 8.277 0.004 . 1 . . . . . 69 S HN . 52607 1 166 . 1 . 1 69 69 SER CA C 13 55.721 0.054 . 1 . . . . . 69 S CA . 52607 1 167 . 1 . 1 69 69 SER CB C 13 61.043 0.026 . 1 . . . . . 69 S CB . 52607 1 168 . 1 . 1 69 69 SER N N 15 117.696 0.017 . 1 . . . . . 69 S N . 52607 1 169 . 1 . 1 70 70 SER H H 1 8.3 0.005 . 1 . . . . . 70 S HN . 52607 1 170 . 1 . 1 70 70 SER CA C 13 55.857 0.083 . 1 . . . . . 70 S CA . 52607 1 171 . 1 . 1 70 70 SER CB C 13 61.08 0.07 . 1 . . . . . 70 S CB . 52607 1 172 . 1 . 1 70 70 SER N N 15 117.729 0.02 . 1 . . . . . 70 S N . 52607 1 173 . 1 . 1 71 71 GLY H H 1 8.361 0.004 . 1 . . . . . 71 G HN . 52607 1 174 . 1 . 1 71 71 GLY CA C 13 42.745 0.027 . 1 . . . . . 71 G CA . 52607 1 175 . 1 . 1 71 71 GLY N N 15 110.702 0.019 . 1 . . . . . 71 G N . 52607 1 176 . 1 . 1 72 72 GLY H H 1 8.218 0 . 1 . . . . . 72 G HN . 52607 1 177 . 1 . 1 72 72 GLY CA C 13 42.556 0.092 . 1 . . . . . 72 G CA . 52607 1 178 . 1 . 1 72 72 GLY N N 15 108.541 0.013 . 1 . . . . . 72 G N . 52607 1 179 . 1 . 1 73 73 SER H H 1 8.202 0.001 . 1 . . . . . 73 S HN . 52607 1 180 . 1 . 1 73 73 SER CA C 13 55.733 0.09 . 1 . . . . . 73 S CA . 52607 1 181 . 1 . 1 73 73 SER CB C 13 61.084 0.062 . 1 . . . . . 73 S CB . 52607 1 182 . 1 . 1 73 73 SER N N 15 115.689 0.009 . 1 . . . . . 73 S N . 52607 1 183 . 1 . 1 74 74 ARG H H 1 8.333 0.002 . 1 . . . . . 74 R HN . 52607 1 184 . 1 . 1 74 74 ARG CA C 13 53.426 0.058 . 1 . . . . . 74 R CA . 52607 1 185 . 1 . 1 74 74 ARG CB C 13 27.969 0.061 . 1 . . . . . 74 R CB . 52607 1 186 . 1 . 1 74 74 ARG CG C 13 24.283 0 . 1 . . . . . 74 R CG . 52607 1 187 . 1 . 1 74 74 ARG CD C 13 40.507 0 . 1 . . . . . 74 R CD . 52607 1 188 . 1 . 1 74 74 ARG N N 15 122.91 0.02 . 1 . . . . . 74 R N . 52607 1 189 . 1 . 1 75 75 ALA H H 1 8.217 0.001 . 1 . . . . . 75 A HN . 52607 1 190 . 1 . 1 75 75 ALA CA C 13 49.88 0.031 . 1 . . . . . 75 A CA . 52607 1 191 . 1 . 1 75 75 ALA CB C 13 16.427 0.026 . 1 . . . . . 75 A CB . 52607 1 192 . 1 . 1 75 75 ALA N N 15 124.986 0.011 . 1 . . . . . 75 A N . 52607 1 193 . 1 . 1 76 76 SER H H 1 8.188 0.001 . 1 . . . . . 76 S HN . 52607 1 194 . 1 . 1 76 76 SER CA C 13 55.907 0.092 . 1 . . . . . 76 S CA . 52607 1 195 . 1 . 1 76 76 SER CB C 13 61.172 0.097 . 1 . . . . . 76 S CB . 52607 1 196 . 1 . 1 76 76 SER N N 15 114.987 0.008 . 1 . . . . . 76 S N . 52607 1 197 . 1 . 1 77 77 GLY H H 1 8.258 0.001 . 1 . . . . . 77 G HN . 52607 1 198 . 1 . 1 77 77 GLY CA C 13 42.593 0.082 . 1 . . . . . 77 G CA . 52607 1 199 . 1 . 1 77 77 GLY N N 15 110.313 0.009 . 1 . . . . . 77 G N . 52607 1 200 . 1 . 1 78 78 PHE H H 1 8.013 0.001 . 1 . . . . . 78 F HN . 52607 1 201 . 1 . 1 78 78 PHE CA C 13 55.213 0.023 . 1 . . . . . 78 F CA . 52607 1 202 . 1 . 1 78 78 PHE CB C 13 36.824 0.038 . 1 . . . . . 78 F CB . 52607 1 203 . 1 . 1 78 78 PHE N N 15 120.026 0.003 . 1 . . . . . 78 F N . 52607 1 204 . 1 . 1 79 79 GLN H H 1 8.238 0.002 . 1 . . . . . 79 Q HN . 52607 1 205 . 1 . 1 79 79 GLN CA C 13 52.99 0.082 . 1 . . . . . 79 Q CA . 52607 1 206 . 1 . 1 79 79 GLN CB C 13 26.66 0.007 . 1 . . . . . 79 Q CB . 52607 1 207 . 1 . 1 79 79 GLN CG C 13 30.841 0 . 1 . . . . . 79 Q CG . 52607 1 208 . 1 . 1 79 79 GLN N N 15 122.422 0.011 . 1 . . . . . 79 Q N . 52607 1 209 . 1 . 1 80 80 GLN H H 1 8.312 0.002 . 1 . . . . . 80 Q HN . 52607 1 210 . 1 . 1 80 80 GLN CA C 13 53.381 0.047 . 1 . . . . . 80 Q CA . 52607 1 211 . 1 . 1 80 80 GLN CB C 13 26.584 0.09 . 1 . . . . . 80 Q CB . 52607 1 212 . 1 . 1 80 80 GLN CG C 13 30.966 0 . 1 . . . . . 80 Q CG . 52607 1 213 . 1 . 1 80 80 GLN N N 15 121.758 0.015 . 1 . . . . . 80 Q N . 52607 1 214 . 1 . 1 81 81 GLY H H 1 8.41 0.004 . 1 . . . . . 81 G HN . 52607 1 215 . 1 . 1 81 81 GLY CA C 13 42.64 0 . 1 . . . . . 81 G CA . 52607 1 216 . 1 . 1 81 81 GLY N N 15 110.368 0.007 . 1 . . . . . 81 G N . 52607 1 217 . 1 . 1 82 82 GLY H H 1 8.19 0 . 1 . . . . . 82 G HN . 52607 1 218 . 1 . 1 82 82 GLY N N 15 108.676 0 . 1 . . . . . 82 G N . 52607 1 219 . 1 . 1 86 86 LYS CA C 13 53.63 0.036 . 1 . . . . . 86 K CA . 52607 1 220 . 1 . 1 86 86 LYS CB C 13 30.366 0.054 . 1 . . . . . 86 K CB . 52607 1 221 . 1 . 1 86 86 LYS CG C 13 21.913 0 . 1 . . . . . 86 K CG . 52607 1 222 . 1 . 1 86 86 LYS CD C 13 26.222 0 . 1 . . . . . 86 K CD . 52607 1 223 . 1 . 1 86 86 LYS CE C 13 39.309 0 . 1 . . . . . 86 K CE . 52607 1 224 . 1 . 1 87 87 SER H H 1 8.316 0.001 . 1 . . . . . 87 S HN . 52607 1 225 . 1 . 1 87 87 SER CA C 13 55.816 0.111 . 1 . . . . . 87 S CA . 52607 1 226 . 1 . 1 87 87 SER CB C 13 61.011 0.078 . 1 . . . . . 87 S CB . 52607 1 227 . 1 . 1 87 87 SER N N 15 117.353 0.027 . 1 . . . . . 87 S N . 52607 1 228 . 1 . 1 88 88 GLN H H 1 8.414 0.001 . 1 . . . . . 88 Q HN . 52607 1 229 . 1 . 1 88 88 GLN CA C 13 53.465 0.047 . 1 . . . . . 88 Q CA . 52607 1 230 . 1 . 1 88 88 GLN CB C 13 26.595 0.086 . 1 . . . . . 88 Q CB . 52607 1 231 . 1 . 1 88 88 GLN CG C 13 30.998 0 . 1 . . . . . 88 Q CG . 52607 1 232 . 1 . 1 88 88 GLN N N 15 122.095 0.007 . 1 . . . . . 88 Q N . 52607 1 233 . 1 . 1 89 89 ASP H H 1 8.182 0.002 . 1 . . . . . 89 D HN . 52607 1 234 . 1 . 1 89 89 ASP CA C 13 51.825 0.026 . 1 . . . . . 89 D CA . 52607 1 235 . 1 . 1 89 89 ASP CB C 13 38.431 0.03 . 1 . . . . . 89 D CB . 52607 1 236 . 1 . 1 89 89 ASP N N 15 121.046 0.025 . 1 . . . . . 89 D N . 52607 1 237 . 1 . 1 90 90 ALA H H 1 8.086 0.001 . 1 . . . . . 90 A HN . 52607 1 238 . 1 . 1 90 90 ALA CA C 13 50.212 0.059 . 1 . . . . . 90 A CA . 52607 1 239 . 1 . 1 90 90 ALA CB C 13 16.48 0.023 . 1 . . . . . 90 A CB . 52607 1 240 . 1 . 1 90 90 ALA N N 15 123.945 0.005 . 1 . . . . . 90 A N . 52607 1 241 . 1 . 1 91 91 GLU H H 1 8.253 0.001 . 1 . . . . . 91 E HN . 52607 1 242 . 1 . 1 91 91 GLU CA C 13 54.38 0.095 . 1 . . . . . 91 E CA . 52607 1 243 . 1 . 1 91 91 GLU CB C 13 27.271 0.034 . 1 . . . . . 91 E CB . 52607 1 244 . 1 . 1 91 91 GLU CG C 13 33.521 0 . 1 . . . . . 91 E CG . 52607 1 245 . 1 . 1 91 91 GLU N N 15 119.331 0.01 . 1 . . . . . 91 E N . 52607 1 246 . 1 . 1 92 92 GLY H H 1 8.239 0.001 . 1 . . . . . 92 G HN . 52607 1 247 . 1 . 1 92 92 GLY CA C 13 42.865 0.06 . 1 . . . . . 92 G CA . 52607 1 248 . 1 . 1 92 92 GLY N N 15 109.219 0.007 . 1 . . . . . 92 G N . 52607 1 249 . 1 . 1 93 93 TRP H H 1 8.001 0.001 . 1 . . . . . 93 W HN . 52607 1 250 . 1 . 1 93 93 TRP HE1 H 1 10.03 0 . 1 . . . . . 93 W HE1 . 52607 1 251 . 1 . 1 93 93 TRP CA C 13 55.363 0.016 . 1 . . . . . 93 W CA . 52607 1 252 . 1 . 1 93 93 TRP CB C 13 26.73 0.042 . 1 . . . . . 93 W CB . 52607 1 253 . 1 . 1 93 93 TRP N N 15 121.208 0.006 . 1 . . . . . 93 W N . 52607 1 254 . 1 . 1 93 93 TRP NE1 N 15 129.333 0 . 1 . . . . . 93 W NE1 . 52607 1 255 . 1 . 1 94 94 THR H H 1 7.71 0.001 . 1 . . . . . 94 T HN . 52607 1 256 . 1 . 1 94 94 THR CA C 13 59.31 0.193 . 1 . . . . . 94 T CA . 52607 1 257 . 1 . 1 94 94 THR CB C 13 67.23 0.022 . 1 . . . . . 94 T CB . 52607 1 258 . 1 . 1 94 94 THR CG2 C 13 18.554 0 . 1 . . . . . 94 T CG2 . 52607 1 259 . 1 . 1 94 94 THR N N 15 115.268 0.004 . 1 . . . . . 94 T N . 52607 1 260 . 1 . 1 95 95 ALA H H 1 7.978 0.001 . 1 . . . . . 95 A HN . 52607 1 261 . 1 . 1 95 95 ALA CA C 13 50.37 0.049 . 1 . . . . . 95 A CA . 52607 1 262 . 1 . 1 95 95 ALA CB C 13 16.143 0.033 . 1 . . . . . 95 A CB . 52607 1 263 . 1 . 1 95 95 ALA N N 15 125.051 0.006 . 1 . . . . . 95 A N . 52607 1 264 . 1 . 1 96 96 GLN H H 1 8.042 0.001 . 1 . . . . . 96 Q HN . 52607 1 265 . 1 . 1 96 96 GLN CA C 13 53.572 0.031 . 1 . . . . . 96 Q CA . 52607 1 266 . 1 . 1 96 96 GLN CB C 13 26.483 0.017 . 1 . . . . . 96 Q CB . 52607 1 267 . 1 . 1 96 96 GLN CG C 13 31.081 0 . 1 . . . . . 96 Q CG . 52607 1 268 . 1 . 1 96 96 GLN N N 15 118.386 0.004 . 1 . . . . . 96 Q N . 52607 1 269 . 1 . 1 97 97 LYS H H 1 8.085 0.001 . 1 . . . . . 97 K HN . 52607 1 270 . 1 . 1 97 97 LYS CB C 13 30.199 0 . 1 . . . . . 97 K CB . 52607 1 271 . 1 . 1 97 97 LYS CG C 13 22.018 0 . 1 . . . . . 97 K CG . 52607 1 272 . 1 . 1 97 97 LYS N N 15 121.958 0.009 . 1 . . . . . 97 K N . 52607 1 273 . 1 . 1 98 98 LYS H H 1 8.344 0.001 . 1 . . . . . 98 K HN . 52607 1 274 . 1 . 1 98 98 LYS CB C 13 30.192 0 . 1 . . . . . 98 K CB . 52607 1 275 . 1 . 1 98 98 LYS N N 15 121.247 0.015 . 1 . . . . . 98 K N . 52607 1 276 . 1 . 1 103 103 GLN CA C 13 53.037 0.024 . 1 . . . . . 103 Q CA . 52607 1 277 . 1 . 1 103 103 GLN CB C 13 26.674 0.09 . 1 . . . . . 103 Q CB . 52607 1 278 . 1 . 1 103 103 GLN CG C 13 30.932 0 . 1 . . . . . 103 Q CG . 52607 1 279 . 1 . 1 104 104 VAL H H 1 8.113 0.001 . 1 . . . . . 104 V HN . 52607 1 280 . 1 . 1 104 104 VAL CA C 13 59.627 0.112 . 1 . . . . . 104 V CA . 52607 1 281 . 1 . 1 104 104 VAL CB C 13 30.062 0.054 . 1 . . . . . 104 V CB . 52607 1 282 . 1 . 1 104 104 VAL CG1 C 13 18.018 0 . 1 . . . . . 104 V CG1 . 52607 1 283 . 1 . 1 104 104 VAL CG2 C 13 18.018 0 . 1 . . . . . 104 V CG2 . 52607 1 284 . 1 . 1 104 104 VAL N N 15 121.626 0.008 . 1 . . . . . 104 V N . 52607 1 285 . 1 . 1 105 105 GLN H H 1 8.406 0.001 . 1 . . . . . 105 Q HN . 52607 1 286 . 1 . 1 105 105 GLN CA C 13 53.357 0.016 . 1 . . . . . 105 Q CA . 52607 1 287 . 1 . 1 105 105 GLN CB C 13 26.58 0.057 . 1 . . . . . 105 Q CB . 52607 1 288 . 1 . 1 105 105 GLN CG C 13 30.949 0 . 1 . . . . . 105 Q CG . 52607 1 289 . 1 . 1 105 105 GLN N N 15 124.148 0.009 . 1 . . . . . 105 Q N . 52607 1 290 . 1 . 1 106 106 GLY H H 1 8.354 0.001 . 1 . . . . . 106 G HN . 52607 1 291 . 1 . 1 106 106 GLY CA C 13 42.618 0.036 . 1 . . . . . 106 G CA . 52607 1 292 . 1 . 1 106 106 GLY N N 15 110.479 0.008 . 1 . . . . . 106 G N . 52607 1 293 . 1 . 1 107 107 TRP H H 1 7.935 0 . 1 . . . . . 107 W HN . 52607 1 294 . 1 . 1 107 107 TRP HE1 H 1 10.03 0 . 1 . . . . . 107 W HE1 . 52607 1 295 . 1 . 1 107 107 TRP CA C 13 54.793 0.016 . 1 . . . . . 107 W CA . 52607 1 296 . 1 . 1 107 107 TRP CB C 13 26.92 0.021 . 1 . . . . . 107 W CB . 52607 1 297 . 1 . 1 107 107 TRP N N 15 120.756 0.003 . 1 . . . . . 107 W N . 52607 1 298 . 1 . 1 107 107 TRP NE1 N 15 129.333 0 . 1 . . . . . 107 W NE1 . 52607 1 299 . 1 . 1 108 108 THR H H 1 7.805 0.001 . 1 . . . . . 108 T HN . 52607 1 300 . 1 . 1 108 108 THR CA C 13 58.798 0.037 . 1 . . . . . 108 T CA . 52607 1 301 . 1 . 1 108 108 THR CB C 13 67.444 0.041 . 1 . . . . . 108 T CB . 52607 1 302 . 1 . 1 108 108 THR CG2 C 13 18.512 0 . 1 . . . . . 108 T CG2 . 52607 1 303 . 1 . 1 108 108 THR N N 15 116.072 0.004 . 1 . . . . . 108 T N . 52607 1 304 . 1 . 1 109 109 LYS H H 1 8.034 0.001 . 1 . . . . . 109 K HN . 52607 1 305 . 1 . 1 109 109 LYS CA C 13 53.761 0.024 . 1 . . . . . 109 K CA . 52607 1 306 . 1 . 1 109 109 LYS CB C 13 30.174 0.002 . 1 . . . . . 109 K CB . 52607 1 307 . 1 . 1 109 109 LYS CG C 13 21.95 0 . 1 . . . . . 109 K CG . 52607 1 308 . 1 . 1 109 109 LYS N N 15 123.228 0.005 . 1 . . . . . 109 K N . 52607 1 309 . 1 . 1 110 110 GLN H H 1 8.286 0.001 . 1 . . . . . 110 Q HN . 52607 1 310 . 1 . 1 110 110 GLN CB C 13 26.632 0 . 1 . . . . . 110 Q CB . 52607 1 311 . 1 . 1 110 110 GLN N N 15 121.722 0.016 . 1 . . . . . 110 Q N . 52607 1 312 . 1 . 1 111 111 GLY H H 1 8.354 0 . 1 . . . . . 111 G HN . 52607 1 313 . 1 . 1 111 111 GLY CA C 13 42.577 0.088 . 1 . . . . . 111 G CA . 52607 1 314 . 1 . 1 111 111 GLY N N 15 110.49 0.005 . 1 . . . . . 111 G N . 52607 1 315 . 1 . 1 112 112 GLN H H 1 8.108 0.001 . 1 . . . . . 112 Q HN . 52607 1 316 . 1 . 1 112 112 GLN CA C 13 53.127 0.016 . 1 . . . . . 112 Q CA . 52607 1 317 . 1 . 1 112 112 GLN CB C 13 26.979 0.083 . 1 . . . . . 112 Q CB . 52607 1 318 . 1 . 1 112 112 GLN CG C 13 31.048 0 . 1 . . . . . 112 Q CG . 52607 1 319 . 1 . 1 112 112 GLN N N 15 120.095 0.004 . 1 . . . . . 112 Q N . 52607 1 320 . 1 . 1 113 113 GLN H H 1 8.01 0.001 . 1 . . . . . 113 Q HN . 52607 1 321 . 1 . 1 113 113 GLN CA C 13 54.758 0 . 1 . . . . . 113 Q CA . 52607 1 322 . 1 . 1 113 113 GLN CB C 13 27.642 0 . 1 . . . . . 113 Q CB . 52607 1 323 . 1 . 1 113 113 GLN N N 15 126.904 0.006 . 1 . . . . . 113 Q N . 52607 1 stop_ save_