################################### # 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 26785 _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' . . . 26785 1 3 '3D HNCACB' . . . 26785 1 5 '3D HNCO' . . . 26785 1 7 '3D 1H-15N NOESY' . . . 26785 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 2 $CARA . . 26785 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.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 GLY CA C 13 46.957 0.3 . 1 . . . . . 1 GLY CA . 26785 1 2 . 1 1 2 2 SER CA C 13 58.322 0.3 . 1 . . . . . 2 SER CA . 26785 1 3 . 1 1 2 2 SER CB C 13 64.169 0.3 . 1 . . . . . 2 SER CB . 26785 1 4 . 1 1 3 3 VAL H H 1 8.156 0.020 . 1 . . . . . 3 VAL H . 26785 1 5 . 1 1 3 3 VAL C C 13 175.879 0.3 . 1 . . . . . 3 VAL C . 26785 1 6 . 1 1 3 3 VAL CA C 13 62.138 0.3 . 1 . . . . . 3 VAL CA . 26785 1 7 . 1 1 3 3 VAL CB C 13 32.958 0.3 . 1 . . . . . 3 VAL CB . 26785 1 8 . 1 1 3 3 VAL N N 15 121.226 0.3 . 1 . . . . . 3 VAL N . 26785 1 9 . 1 1 4 4 ALA H H 1 8.286 0.020 . 1 . . . . . 4 ALA H . 26785 1 10 . 1 1 4 4 ALA C C 13 177.497 0.3 . 1 . . . . . 4 ALA C . 26785 1 11 . 1 1 4 4 ALA CA C 13 52.439 0.3 . 1 . . . . . 4 ALA CA . 26785 1 12 . 1 1 4 4 ALA CB C 13 19.424 0.3 . 1 . . . . . 4 ALA CB . 26785 1 13 . 1 1 4 4 ALA N N 15 127.336 0.3 . 1 . . . . . 4 ALA N . 26785 1 14 . 1 1 5 5 ASN H H 1 8.246 0.020 . 1 . . . . . 5 ASN H . 26785 1 15 . 1 1 5 5 ASN C C 13 175.048 0.3 . 1 . . . . . 5 ASN C . 26785 1 16 . 1 1 5 5 ASN CA C 13 53.725 0.3 . 1 . . . . . 5 ASN CA . 26785 1 17 . 1 1 5 5 ASN CB C 13 39.197 0.3 . 1 . . . . . 5 ASN CB . 26785 1 18 . 1 1 5 5 ASN N N 15 117.745 0.3 . 1 . . . . . 5 ASN N . 26785 1 19 . 1 1 6 6 ASP H H 1 8.210 0.020 . 1 . . . . . 6 ASP H . 26785 1 20 . 1 1 6 6 ASP C C 13 176.269 0.3 . 1 . . . . . 6 ASP C . 26785 1 21 . 1 1 6 6 ASP CA C 13 54.497 0.3 . 1 . . . . . 6 ASP CA . 26785 1 22 . 1 1 6 6 ASP CB C 13 41.104 0.3 . 1 . . . . . 6 ASP CB . 26785 1 23 . 1 1 6 6 ASP N N 15 119.908 0.3 . 1 . . . . . 6 ASP N . 26785 1 24 . 1 1 7 7 GLU H H 1 8.068 0.020 . 1 . . . . . 7 GLU H . 26785 1 25 . 1 1 7 7 GLU C C 13 175.006 0.3 . 1 . . . . . 7 GLU C . 26785 1 26 . 1 1 7 7 GLU CA C 13 56.689 0.3 . 1 . . . . . 7 GLU CA . 26785 1 27 . 1 1 7 7 GLU CB C 13 30.379 0.3 . 1 . . . . . 7 GLU CB . 26785 1 28 . 1 1 7 7 GLU N N 15 119.077 0.3 . 1 . . . . . 7 GLU N . 26785 1 29 . 1 1 8 8 ASN H H 1 7.489 0.020 . 1 . . . . . 8 ASN H . 26785 1 30 . 1 1 8 8 ASN C C 13 172.706 0.3 . 1 . . . . . 8 ASN C . 26785 1 31 . 1 1 8 8 ASN CA C 13 51.165 0.3 . 1 . . . . . 8 ASN CA . 26785 1 32 . 1 1 8 8 ASN CB C 13 40.702 0.3 . 1 . . . . . 8 ASN CB . 26785 1 33 . 1 1 8 8 ASN N N 15 116.840 0.3 . 1 . . . . . 8 ASN N . 26785 1 34 . 1 1 9 9 CYS H H 1 7.563 0.020 . 1 . . . . . 9 CYS H . 26785 1 35 . 1 1 9 9 CYS C C 13 178.370 0.3 . 1 . . . . . 9 CYS C . 26785 1 36 . 1 1 9 9 CYS CA C 13 59.552 0.3 . 1 . . . . . 9 CYS CA . 26785 1 37 . 1 1 9 9 CYS CB C 13 31.526 0.3 . 1 . . . . . 9 CYS CB . 26785 1 38 . 1 1 9 9 CYS N N 15 122.867 0.3 . 1 . . . . . 9 CYS N . 26785 1 39 . 1 1 10 10 GLY H H 1 9.231 0.020 . 1 . . . . . 10 GLY H . 26785 1 40 . 1 1 10 10 GLY C C 13 174.111 0.3 . 1 . . . . . 10 GLY C . 26785 1 41 . 1 1 10 10 GLY CA C 13 46.967 0.3 . 1 . . . . . 10 GLY CA . 26785 1 42 . 1 1 10 10 GLY N N 15 117.330 0.3 . 1 . . . . . 10 GLY N . 26785 1 43 . 1 1 11 11 ILE H H 1 8.247 0.020 . 1 . . . . . 11 ILE H . 26785 1 44 . 1 1 11 11 ILE C C 13 176.121 0.3 . 1 . . . . . 11 ILE C . 26785 1 45 . 1 1 11 11 ILE CA C 13 64.041 0.3 . 1 . . . . . 11 ILE CA . 26785 1 46 . 1 1 11 11 ILE CB C 13 39.411 0.3 . 1 . . . . . 11 ILE CB . 26785 1 47 . 1 1 11 11 ILE N N 15 119.716 0.3 . 1 . . . . . 11 ILE N . 26785 1 48 . 1 1 12 12 CYS H H 1 7.567 0.020 . 1 . . . . . 12 CYS H . 26785 1 49 . 1 1 12 12 CYS C C 13 175.975 0.3 . 1 . . . . . 12 CYS C . 26785 1 50 . 1 1 12 12 CYS CA C 13 59.225 0.3 . 1 . . . . . 12 CYS CA . 26785 1 51 . 1 1 12 12 CYS CB C 13 32.246 0.3 . 1 . . . . . 12 CYS CB . 26785 1 52 . 1 1 12 12 CYS N N 15 116.656 0.3 . 1 . . . . . 12 CYS N . 26785 1 53 . 1 1 13 13 ARG H H 1 7.968 0.020 . 1 . . . . . 13 ARG H . 26785 1 54 . 1 1 13 13 ARG C C 13 174.979 0.3 . 1 . . . . . 13 ARG C . 26785 1 55 . 1 1 13 13 ARG CA C 13 57.636 0.3 . 1 . . . . . 13 ARG CA . 26785 1 56 . 1 1 13 13 ARG CB C 13 26.326 0.3 . 1 . . . . . 13 ARG CB . 26785 1 57 . 1 1 13 13 ARG N N 15 116.085 0.3 . 1 . . . . . 13 ARG N . 26785 1 58 . 1 1 14 14 MET H H 1 8.624 0.020 . 1 . . . . . 14 MET H . 26785 1 59 . 1 1 14 14 MET C C 13 176.143 0.3 . 1 . . . . . 14 MET C . 26785 1 60 . 1 1 14 14 MET CA C 13 54.448 0.3 . 1 . . . . . 14 MET CA . 26785 1 61 . 1 1 14 14 MET CB C 13 33.951 0.3 . 1 . . . . . 14 MET CB . 26785 1 62 . 1 1 14 14 MET N N 15 119.313 0.3 . 1 . . . . . 14 MET N . 26785 1 63 . 1 1 15 15 ALA H H 1 7.958 0.020 . 1 . . . . . 15 ALA H . 26785 1 64 . 1 1 15 15 ALA C C 13 180.117 0.3 . 1 . . . . . 15 ALA C . 26785 1 65 . 1 1 15 15 ALA CA C 13 52.813 0.3 . 1 . . . . . 15 ALA CA . 26785 1 66 . 1 1 15 15 ALA CB C 13 19.487 0.3 . 1 . . . . . 15 ALA CB . 26785 1 67 . 1 1 15 15 ALA N N 15 122.599 0.3 . 1 . . . . . 15 ALA N . 26785 1 68 . 1 1 16 16 PHE H H 1 8.079 0.020 . 1 . . . . . 16 PHE H . 26785 1 69 . 1 1 16 16 PHE C C 13 176.423 0.3 . 1 . . . . . 16 PHE C . 26785 1 70 . 1 1 16 16 PHE CA C 13 59.420 0.3 . 1 . . . . . 16 PHE CA . 26785 1 71 . 1 1 16 16 PHE CB C 13 38.390 0.3 . 1 . . . . . 16 PHE CB . 26785 1 72 . 1 1 16 16 PHE N N 15 119.194 0.3 . 1 . . . . . 16 PHE N . 26785 1 73 . 1 1 17 17 ASN H H 1 7.815 0.020 . 1 . . . . . 17 ASN H . 26785 1 74 . 1 1 17 17 ASN C C 13 175.337 0.3 . 1 . . . . . 17 ASN C . 26785 1 75 . 1 1 17 17 ASN CA C 13 52.961 0.3 . 1 . . . . . 17 ASN CA . 26785 1 76 . 1 1 17 17 ASN CB C 13 37.174 0.3 . 1 . . . . . 17 ASN CB . 26785 1 77 . 1 1 17 17 ASN N N 15 112.218 0.3 . 1 . . . . . 17 ASN N . 26785 1 78 . 1 1 18 18 GLY H H 1 7.570 0.020 . 1 . . . . . 18 GLY H . 26785 1 79 . 1 1 18 18 GLY C C 13 173.759 0.3 . 1 . . . . . 18 GLY C . 26785 1 80 . 1 1 18 18 GLY CA C 13 44.464 0.3 . 1 . . . . . 18 GLY CA . 26785 1 81 . 1 1 18 18 GLY N N 15 107.707 0.3 . 1 . . . . . 18 GLY N . 26785 1 82 . 1 1 19 19 CYS H H 1 8.203 0.020 . 1 . . . . . 19 CYS H . 26785 1 83 . 1 1 19 19 CYS C C 13 174.039 0.3 . 1 . . . . . 19 CYS C . 26785 1 84 . 1 1 19 19 CYS CA C 13 58.433 0.3 . 1 . . . . . 19 CYS CA . 26785 1 85 . 1 1 19 19 CYS CB C 13 30.681 0.3 . 1 . . . . . 19 CYS CB . 26785 1 86 . 1 1 19 19 CYS N N 15 117.050 0.3 . 1 . . . . . 19 CYS N . 26785 1 87 . 1 1 20 20 CYS H H 1 8.416 0.020 . 1 . . . . . 20 CYS H . 26785 1 88 . 1 1 20 20 CYS C C 13 173.736 0.3 . 1 . . . . . 20 CYS C . 26785 1 89 . 1 1 20 20 CYS CA C 13 57.999 0.3 . 1 . . . . . 20 CYS CA . 26785 1 90 . 1 1 20 20 CYS CB C 13 28.205 0.3 . 1 . . . . . 20 CYS CB . 26785 1 91 . 1 1 20 20 CYS N N 15 123.804 0.3 . 1 . . . . . 20 CYS N . 26785 1 92 . 1 1 21 21 PRO CA C 13 65.426 0.3 . 1 . . . . . 21 PRO CA . 26785 1 93 . 1 1 21 21 PRO CB C 13 32.801 0.3 . 1 . . . . . 21 PRO CB . 26785 1 94 . 1 1 22 22 ASP H H 1 8.403 0.020 . 1 . . . . . 22 ASP H . 26785 1 95 . 1 1 22 22 ASP C C 13 176.501 0.3 . 1 . . . . . 22 ASP C . 26785 1 96 . 1 1 22 22 ASP CA C 13 55.017 0.3 . 1 . . . . . 22 ASP CA . 26785 1 97 . 1 1 22 22 ASP CB C 13 42.522 0.3 . 1 . . . . . 22 ASP CB . 26785 1 98 . 1 1 22 22 ASP N N 15 117.101 0.3 . 1 . . . . . 22 ASP N . 26785 1 99 . 1 1 23 23 CYS H H 1 7.229 0.020 . 1 . . . . . 23 CYS H . 26785 1 100 . 1 1 23 23 CYS C C 13 175.214 0.3 . 1 . . . . . 23 CYS C . 26785 1 101 . 1 1 23 23 CYS CA C 13 61.633 0.3 . 1 . . . . . 23 CYS CA . 26785 1 102 . 1 1 23 23 CYS CB C 13 31.542 0.3 . 1 . . . . . 23 CYS CB . 26785 1 103 . 1 1 23 23 CYS N N 15 123.245 0.3 . 1 . . . . . 23 CYS N . 26785 1 104 . 1 1 24 24 LYS H H 1 8.169 0.020 . 1 . . . . . 24 LYS H . 26785 1 105 . 1 1 24 24 LYS C C 13 177.106 0.3 . 1 . . . . . 24 LYS C . 26785 1 106 . 1 1 24 24 LYS CA C 13 56.764 0.3 . 1 . . . . . 24 LYS CA . 26785 1 107 . 1 1 24 24 LYS CB C 13 34.615 0.3 . 1 . . . . . 24 LYS CB . 26785 1 108 . 1 1 24 24 LYS N N 15 117.420 0.3 . 1 . . . . . 24 LYS N . 26785 1 109 . 1 1 25 25 VAL H H 1 7.775 0.020 . 1 . . . . . 25 VAL H . 26785 1 110 . 1 1 25 25 VAL C C 13 174.027 0.3 . 1 . . . . . 25 VAL C . 26785 1 111 . 1 1 25 25 VAL CA C 13 59.523 0.3 . 1 . . . . . 25 VAL CA . 26785 1 112 . 1 1 25 25 VAL CB C 13 33.507 0.3 . 1 . . . . . 25 VAL CB . 26785 1 113 . 1 1 25 25 VAL N N 15 120.554 0.3 . 1 . . . . . 25 VAL N . 26785 1 114 . 1 1 26 26 PRO CA C 13 63.279 0.3 . 1 . . . . . 26 PRO CA . 26785 1 115 . 1 1 26 26 PRO CB C 13 32.077 0.3 . 1 . . . . . 26 PRO CB . 26785 1 116 . 1 1 27 27 GLY H H 1 8.556 0.020 . 1 . . . . . 27 GLY H . 26785 1 117 . 1 1 27 27 GLY C C 13 175.169 0.3 . 1 . . . . . 27 GLY C . 26785 1 118 . 1 1 27 27 GLY CA C 13 45.042 0.3 . 1 . . . . . 27 GLY CA . 26785 1 119 . 1 1 27 27 GLY N N 15 109.843 0.3 . 1 . . . . . 27 GLY N . 26785 1 120 . 1 1 28 28 ASP H H 1 8.227 0.020 . 1 . . . . . 28 ASP H . 26785 1 121 . 1 1 28 28 ASP C C 13 176.602 0.3 . 1 . . . . . 28 ASP C . 26785 1 122 . 1 1 28 28 ASP CA C 13 56.559 0.3 . 1 . . . . . 28 ASP CA . 26785 1 123 . 1 1 28 28 ASP CB C 13 40.912 0.3 . 1 . . . . . 28 ASP CB . 26785 1 124 . 1 1 28 28 ASP N N 15 122.449 0.3 . 1 . . . . . 28 ASP N . 26785 1 125 . 1 1 29 29 ASP H H 1 8.291 0.020 . 1 . . . . . 29 ASP H . 26785 1 126 . 1 1 29 29 ASP C C 13 175.505 0.3 . 1 . . . . . 29 ASP C . 26785 1 127 . 1 1 29 29 ASP CA C 13 55.266 0.3 . 1 . . . . . 29 ASP CA . 26785 1 128 . 1 1 29 29 ASP CB C 13 41.225 0.3 . 1 . . . . . 29 ASP CB . 26785 1 129 . 1 1 29 29 ASP N N 15 117.452 0.3 . 1 . . . . . 29 ASP N . 26785 1 130 . 1 1 30 30 CYS H H 1 7.915 0.020 . 1 . . . . . 30 CYS H . 26785 1 131 . 1 1 30 30 CYS C C 13 171.755 0.3 . 1 . . . . . 30 CYS C . 26785 1 132 . 1 1 30 30 CYS CA C 13 58.058 0.3 . 1 . . . . . 30 CYS CA . 26785 1 133 . 1 1 30 30 CYS CB C 13 29.154 0.3 . 1 . . . . . 30 CYS CB . 26785 1 134 . 1 1 30 30 CYS N N 15 124.220 0.3 . 1 . . . . . 30 CYS N . 26785 1 135 . 1 1 31 31 PRO CA C 13 62.875 0.3 . 1 . . . . . 31 PRO CA . 26785 1 136 . 1 1 31 31 PRO CB C 13 33.984 0.3 . 1 . . . . . 31 PRO CB . 26785 1 137 . 1 1 32 32 LEU H H 1 8.643 0.020 . 1 . . . . . 32 LEU H . 26785 1 138 . 1 1 32 32 LEU C C 13 176.554 0.3 . 1 . . . . . 32 LEU C . 26785 1 139 . 1 1 32 32 LEU CA C 13 53.921 0.3 . 1 . . . . . 32 LEU CA . 26785 1 140 . 1 1 32 32 LEU CB C 13 43.336 0.3 . 1 . . . . . 32 LEU CB . 26785 1 141 . 1 1 32 32 LEU N N 15 120.262 0.3 . 1 . . . . . 32 LEU N . 26785 1 142 . 1 1 33 33 VAL H H 1 8.439 0.020 . 1 . . . . . 33 VAL H . 26785 1 143 . 1 1 33 33 VAL C C 13 172.315 0.3 . 1 . . . . . 33 VAL C . 26785 1 144 . 1 1 33 33 VAL CA C 13 59.829 0.3 . 1 . . . . . 33 VAL CA . 26785 1 145 . 1 1 33 33 VAL CB C 13 36.448 0.3 . 1 . . . . . 33 VAL CB . 26785 1 146 . 1 1 33 33 VAL N N 15 112.433 0.3 . 1 . . . . . 33 VAL N . 26785 1 147 . 1 1 34 34 TRP H H 1 9.000 0.020 . 1 . . . . . 34 TRP H . 26785 1 148 . 1 1 34 34 TRP C C 13 176.591 0.3 . 1 . . . . . 34 TRP C . 26785 1 149 . 1 1 34 34 TRP CA C 13 57.513 0.3 . 1 . . . . . 34 TRP CA . 26785 1 150 . 1 1 34 34 TRP CB C 13 33.780 0.3 . 1 . . . . . 34 TRP CB . 26785 1 151 . 1 1 34 34 TRP N N 15 120.329 0.3 . 1 . . . . . 34 TRP N . 26785 1 152 . 1 1 35 35 GLY H H 1 8.670 0.020 . 1 . . . . . 35 GLY H . 26785 1 153 . 1 1 35 35 GLY C C 13 177.144 0.3 . 1 . . . . . 35 GLY C . 26785 1 154 . 1 1 35 35 GLY CA C 13 44.070 0.3 . 1 . . . . . 35 GLY CA . 26785 1 155 . 1 1 35 35 GLY N N 15 106.826 0.3 . 1 . . . . . 35 GLY N . 26785 1 156 . 1 1 36 36 GLN H H 1 7.923 0.020 . 1 . . . . . 36 GLN H . 26785 1 157 . 1 1 36 36 GLN C C 13 175.909 0.3 . 1 . . . . . 36 GLN C . 26785 1 158 . 1 1 36 36 GLN CA C 13 58.262 0.3 . 1 . . . . . 36 GLN CA . 26785 1 159 . 1 1 36 36 GLN CB C 13 27.631 0.3 . 1 . . . . . 36 GLN CB . 26785 1 160 . 1 1 36 36 GLN N N 15 122.576 0.3 . 1 . . . . . 36 GLN N . 26785 1 161 . 1 1 37 37 CYS H H 1 7.636 0.020 . 1 . . . . . 37 CYS H . 26785 1 162 . 1 1 37 37 CYS C C 13 175.117 0.3 . 1 . . . . . 37 CYS C . 26785 1 163 . 1 1 37 37 CYS CA C 13 58.807 0.3 . 1 . . . . . 37 CYS CA . 26785 1 164 . 1 1 37 37 CYS CB C 13 31.143 0.3 . 1 . . . . . 37 CYS CB . 26785 1 165 . 1 1 37 37 CYS N N 15 116.261 0.3 . 1 . . . . . 37 CYS N . 26785 1 166 . 1 1 38 38 SER H H 1 7.759 0.020 . 1 . . . . . 38 SER H . 26785 1 167 . 1 1 38 38 SER C C 13 173.389 0.3 . 1 . . . . . 38 SER C . 26785 1 168 . 1 1 38 38 SER CA C 13 62.285 0.3 . 1 . . . . . 38 SER CA . 26785 1 169 . 1 1 38 38 SER N N 15 114.474 0.3 . 1 . . . . . 38 SER N . 26785 1 170 . 1 1 39 39 HIS H H 1 7.930 0.020 . 1 . . . . . 39 HIS H . 26785 1 171 . 1 1 39 39 HIS C C 13 172.463 0.3 . 1 . . . . . 39 HIS C . 26785 1 172 . 1 1 39 39 HIS CA C 13 61.320 0.3 . 1 . . . . . 39 HIS CA . 26785 1 173 . 1 1 39 39 HIS CB C 13 31.523 0.3 . 1 . . . . . 39 HIS CB . 26785 1 174 . 1 1 39 39 HIS N N 15 121.942 0.3 . 1 . . . . . 39 HIS N . 26785 1 175 . 1 1 40 40 CYS H H 1 8.061 0.020 . 1 . . . . . 40 CYS H . 26785 1 176 . 1 1 40 40 CYS C C 13 172.149 0.3 . 1 . . . . . 40 CYS C . 26785 1 177 . 1 1 40 40 CYS CA C 13 55.504 0.3 . 1 . . . . . 40 CYS CA . 26785 1 178 . 1 1 40 40 CYS CB C 13 28.964 0.3 . 1 . . . . . 40 CYS CB . 26785 1 179 . 1 1 40 40 CYS N N 15 121.951 0.3 . 1 . . . . . 40 CYS N . 26785 1 180 . 1 1 41 41 PHE H H 1 8.288 0.020 . 1 . . . . . 41 PHE H . 26785 1 181 . 1 1 41 41 PHE C C 13 176.739 0.3 . 1 . . . . . 41 PHE C . 26785 1 182 . 1 1 41 41 PHE CA C 13 56.033 0.3 . 1 . . . . . 41 PHE CA . 26785 1 183 . 1 1 41 41 PHE CB C 13 45.760 0.3 . 1 . . . . . 41 PHE CB . 26785 1 184 . 1 1 41 41 PHE N N 15 120.496 0.3 . 1 . . . . . 41 PHE N . 26785 1 185 . 1 1 42 42 HIS H H 1 8.315 0.020 . 1 . . . . . 42 HIS H . 26785 1 186 . 1 1 42 42 HIS C C 13 177.464 0.3 . 1 . . . . . 42 HIS C . 26785 1 187 . 1 1 42 42 HIS CA C 13 60.425 0.3 . 1 . . . . . 42 HIS CA . 26785 1 188 . 1 1 42 42 HIS CB C 13 29.740 0.3 . 1 . . . . . 42 HIS CB . 26785 1 189 . 1 1 42 42 HIS N N 15 117.057 0.3 . 1 . . . . . 42 HIS N . 26785 1 190 . 1 1 43 43 MET H H 1 9.522 0.020 . 1 . . . . . 43 MET H . 26785 1 191 . 1 1 43 43 MET C C 13 177.845 0.3 . 1 . . . . . 43 MET C . 26785 1 192 . 1 1 43 43 MET CA C 13 59.625 0.3 . 1 . . . . . 43 MET CA . 26785 1 193 . 1 1 43 43 MET CB C 13 33.009 0.3 . 1 . . . . . 43 MET CB . 26785 1 194 . 1 1 43 43 MET N N 15 128.306 0.3 . 1 . . . . . 43 MET N . 26785 1 195 . 1 1 44 44 HIS H H 1 9.698 0.020 . 1 . . . . . 44 HIS H . 26785 1 196 . 1 1 44 44 HIS C C 13 177.531 0.3 . 1 . . . . . 44 HIS C . 26785 1 197 . 1 1 44 44 HIS CA C 13 59.046 0.3 . 1 . . . . . 44 HIS CA . 26785 1 198 . 1 1 44 44 HIS CB C 13 32.747 0.3 . 1 . . . . . 44 HIS CB . 26785 1 199 . 1 1 44 44 HIS N N 15 116.814 0.3 . 1 . . . . . 44 HIS N . 26785 1 200 . 1 1 45 45 CYS H H 1 6.792 0.020 . 1 . . . . . 45 CYS H . 26785 1 201 . 1 1 45 45 CYS C C 13 177.715 0.3 . 1 . . . . . 45 CYS C . 26785 1 202 . 1 1 45 45 CYS CA C 13 63.235 0.3 . 1 . . . . . 45 CYS CA . 26785 1 203 . 1 1 45 45 CYS CB C 13 29.102 0.3 . 1 . . . . . 45 CYS CB . 26785 1 204 . 1 1 45 45 CYS N N 15 116.180 0.3 . 1 . . . . . 45 CYS N . 26785 1 205 . 1 1 46 46 ILE H H 1 7.679 0.020 . 1 . . . . . 46 ILE H . 26785 1 206 . 1 1 46 46 ILE C C 13 176.613 0.3 . 1 . . . . . 46 ILE C . 26785 1 207 . 1 1 46 46 ILE CA C 13 59.897 0.3 . 1 . . . . . 46 ILE CA . 26785 1 208 . 1 1 46 46 ILE CB C 13 37.319 0.3 . 1 . . . . . 46 ILE CB . 26785 1 209 . 1 1 46 46 ILE N N 15 118.187 0.3 . 1 . . . . . 46 ILE N . 26785 1 210 . 1 1 47 47 LEU H H 1 8.226 0.020 . 1 . . . . . 47 LEU H . 26785 1 211 . 1 1 47 47 LEU C C 13 178.729 0.3 . 1 . . . . . 47 LEU C . 26785 1 212 . 1 1 47 47 LEU CA C 13 58.262 0.3 . 1 . . . . . 47 LEU CA . 26785 1 213 . 1 1 47 47 LEU CB C 13 41.123 0.3 . 1 . . . . . 47 LEU CB . 26785 1 214 . 1 1 47 47 LEU N N 15 122.548 0.3 . 1 . . . . . 47 LEU N . 26785 1 215 . 1 1 48 48 LYS H H 1 7.198 0.020 . 1 . . . . . 48 LYS H . 26785 1 216 . 1 1 48 48 LYS C C 13 179.743 0.3 . 1 . . . . . 48 LYS C . 26785 1 217 . 1 1 48 48 LYS CA C 13 60.442 0.3 . 1 . . . . . 48 LYS CA . 26785 1 218 . 1 1 48 48 LYS CB C 13 32.198 0.3 . 1 . . . . . 48 LYS CB . 26785 1 219 . 1 1 48 48 LYS N N 15 118.587 0.3 . 1 . . . . . 48 LYS N . 26785 1 220 . 1 1 49 49 TRP H H 1 7.329 0.020 . 1 . . . . . 49 TRP H . 26785 1 221 . 1 1 49 49 TRP C C 13 178.010 0.3 . 1 . . . . . 49 TRP C . 26785 1 222 . 1 1 49 49 TRP CA C 13 60.545 0.3 . 1 . . . . . 49 TRP CA . 26785 1 223 . 1 1 49 49 TRP CB C 13 28.734 0.3 . 1 . . . . . 49 TRP CB . 26785 1 224 . 1 1 49 49 TRP N N 15 119.692 0.3 . 1 . . . . . 49 TRP N . 26785 1 225 . 1 1 50 50 LEU H H 1 8.592 0.020 . 1 . . . . . 50 LEU H . 26785 1 226 . 1 1 50 50 LEU C C 13 180.240 0.3 . 1 . . . . . 50 LEU C . 26785 1 227 . 1 1 50 50 LEU CA C 13 57.817 0.3 . 1 . . . . . 50 LEU CA . 26785 1 228 . 1 1 50 50 LEU CB C 13 42.361 0.3 . 1 . . . . . 50 LEU CB . 26785 1 229 . 1 1 50 50 LEU N N 15 118.068 0.3 . 1 . . . . . 50 LEU N . 26785 1 230 . 1 1 51 51 HIS H H 1 8.301 0.020 . 1 . . . . . 51 HIS H . 26785 1 231 . 1 1 51 51 HIS C C 13 177.089 0.3 . 1 . . . . . 51 HIS C . 26785 1 232 . 1 1 51 51 HIS CA C 13 60.749 0.3 . 1 . . . . . 51 HIS CA . 26785 1 233 . 1 1 51 51 HIS CB C 13 31.015 0.3 . 1 . . . . . 51 HIS CB . 26785 1 234 . 1 1 51 51 HIS N N 15 116.358 0.3 . 1 . . . . . 51 HIS N . 26785 1 235 . 1 1 52 52 ALA H H 1 6.899 0.020 . 1 . . . . . 52 ALA H . 26785 1 236 . 1 1 52 52 ALA C C 13 178.453 0.3 . 1 . . . . . 52 ALA C . 26785 1 237 . 1 1 52 52 ALA CA C 13 52.865 0.3 . 1 . . . . . 52 ALA CA . 26785 1 238 . 1 1 52 52 ALA CB C 13 18.951 0.3 . 1 . . . . . 52 ALA CB . 26785 1 239 . 1 1 52 52 ALA N N 15 117.533 0.3 . 1 . . . . . 52 ALA N . 26785 1 240 . 1 1 53 53 GLN H H 1 7.001 0.020 . 1 . . . . . 53 GLN H . 26785 1 241 . 1 1 53 53 GLN C C 13 177.107 0.3 . 1 . . . . . 53 GLN C . 26785 1 242 . 1 1 53 53 GLN CA C 13 57.207 0.3 . 1 . . . . . 53 GLN CA . 26785 1 243 . 1 1 53 53 GLN CB C 13 29.735 0.3 . 1 . . . . . 53 GLN CB . 26785 1 244 . 1 1 53 53 GLN N N 15 116.637 0.3 . 1 . . . . . 53 GLN N . 26785 1 245 . 1 1 54 54 GLN H H 1 8.865 0.020 . 1 . . . . . 54 GLN H . 26785 1 246 . 1 1 54 54 GLN C C 13 175.301 0.3 . 1 . . . . . 54 GLN C . 26785 1 247 . 1 1 54 54 GLN CA C 13 55.399 0.3 . 1 . . . . . 54 GLN CA . 26785 1 248 . 1 1 54 54 GLN CB C 13 29.350 0.3 . 1 . . . . . 54 GLN CB . 26785 1 249 . 1 1 54 54 GLN N N 15 122.116 0.3 . 1 . . . . . 54 GLN N . 26785 1 250 . 1 1 55 55 VAL H H 1 6.735 0.020 . 1 . . . . . 55 VAL H . 26785 1 251 . 1 1 55 55 VAL C C 13 173.882 0.3 . 1 . . . . . 55 VAL C . 26785 1 252 . 1 1 55 55 VAL CA C 13 59.520 0.3 . 1 . . . . . 55 VAL CA . 26785 1 253 . 1 1 55 55 VAL CB C 13 34.431 0.3 . 1 . . . . . 55 VAL CB . 26785 1 254 . 1 1 55 55 VAL N N 15 111.544 0.3 . 1 . . . . . 55 VAL N . 26785 1 255 . 1 1 56 56 GLN H H 1 7.931 0.020 . 1 . . . . . 56 GLN H . 26785 1 256 . 1 1 56 56 GLN C C 13 176.259 0.3 . 1 . . . . . 56 GLN C . 26785 1 257 . 1 1 56 56 GLN CA C 13 55.842 0.3 . 1 . . . . . 56 GLN CA . 26785 1 258 . 1 1 56 56 GLN CB C 13 28.426 0.3 . 1 . . . . . 56 GLN CB . 26785 1 259 . 1 1 56 56 GLN N N 15 118.984 0.3 . 1 . . . . . 56 GLN N . 26785 1 260 . 1 1 57 57 GLN H H 1 8.314 0.020 . 1 . . . . . 57 GLN H . 26785 1 261 . 1 1 57 57 GLN C C 13 177.789 0.3 . 1 . . . . . 57 GLN C . 26785 1 262 . 1 1 57 57 GLN CA C 13 56.559 0.3 . 1 . . . . . 57 GLN CA . 26785 1 263 . 1 1 57 57 GLN CB C 13 28.793 0.3 . 1 . . . . . 57 GLN CB . 26785 1 264 . 1 1 57 57 GLN N N 15 124.776 0.3 . 1 . . . . . 57 GLN N . 26785 1 265 . 1 1 58 58 HIS H H 1 8.692 0.020 . 1 . . . . . 58 HIS H . 26785 1 266 . 1 1 58 58 HIS C C 13 172.592 0.3 . 1 . . . . . 58 HIS C . 26785 1 267 . 1 1 58 58 HIS CA C 13 54.822 0.3 . 1 . . . . . 58 HIS CA . 26785 1 268 . 1 1 58 58 HIS CB C 13 31.904 0.3 . 1 . . . . . 58 HIS CB . 26785 1 269 . 1 1 58 58 HIS N N 15 120.725 0.3 . 1 . . . . . 58 HIS N . 26785 1 270 . 1 1 59 59 CYS H H 1 9.020 0.020 . 1 . . . . . 59 CYS H . 26785 1 271 . 1 1 59 59 CYS C C 13 176.075 0.3 . 1 . . . . . 59 CYS C . 26785 1 272 . 1 1 59 59 CYS CA C 13 56.591 0.3 . 1 . . . . . 59 CYS CA . 26785 1 273 . 1 1 59 59 CYS CB C 13 32.642 0.3 . 1 . . . . . 59 CYS CB . 26785 1 274 . 1 1 59 59 CYS N N 15 121.900 0.3 . 1 . . . . . 59 CYS N . 26785 1 275 . 1 1 60 60 PRO CA C 13 64.661 0.3 . 1 . . . . . 60 PRO CA . 26785 1 276 . 1 1 60 60 PRO CB C 13 29.939 0.3 . 1 . . . . . 60 PRO CB . 26785 1 277 . 1 1 61 61 MET H H 1 9.007 0.020 . 1 . . . . . 61 MET H . 26785 1 278 . 1 1 61 61 MET C C 13 177.117 0.3 . 1 . . . . . 61 MET C . 26785 1 279 . 1 1 61 61 MET CA C 13 56.832 0.3 . 1 . . . . . 61 MET CA . 26785 1 280 . 1 1 61 61 MET CB C 13 32.940 0.3 . 1 . . . . . 61 MET CB . 26785 1 281 . 1 1 61 61 MET N N 15 118.068 0.3 . 1 . . . . . 61 MET N . 26785 1 282 . 1 1 62 62 CYS H H 1 8.092 0.020 . 1 . . . . . 62 CYS H . 26785 1 283 . 1 1 62 62 CYS C C 13 175.928 0.3 . 1 . . . . . 62 CYS C . 26785 1 284 . 1 1 62 62 CYS CA C 13 58.535 0.3 . 1 . . . . . 62 CYS CA . 26785 1 285 . 1 1 62 62 CYS CB C 13 32.776 0.3 . 1 . . . . . 62 CYS CB . 26785 1 286 . 1 1 62 62 CYS N N 15 117.158 0.3 . 1 . . . . . 62 CYS N . 26785 1 287 . 1 1 63 63 ARG H H 1 8.129 0.020 . 1 . . . . . 63 ARG H . 26785 1 288 . 1 1 63 63 ARG C C 13 175.326 0.3 . 1 . . . . . 63 ARG C . 26785 1 289 . 1 1 63 63 ARG CA C 13 58.533 0.3 . 1 . . . . . 63 ARG CA . 26785 1 290 . 1 1 63 63 ARG CB C 13 27.136 0.3 . 1 . . . . . 63 ARG CB . 26785 1 291 . 1 1 63 63 ARG N N 15 117.104 0.3 . 1 . . . . . 63 ARG N . 26785 1 292 . 1 1 64 64 GLN H H 1 8.101 0.020 . 1 . . . . . 64 GLN H . 26785 1 293 . 1 1 64 64 GLN C C 13 176.186 0.3 . 1 . . . . . 64 GLN C . 26785 1 294 . 1 1 64 64 GLN CA C 13 56.764 0.3 . 1 . . . . . 64 GLN CA . 26785 1 295 . 1 1 64 64 GLN CB C 13 30.083 0.3 . 1 . . . . . 64 GLN CB . 26785 1 296 . 1 1 64 64 GLN N N 15 119.508 0.3 . 1 . . . . . 64 GLN N . 26785 1 297 . 1 1 65 65 GLU H H 1 8.692 0.020 . 1 . . . . . 65 GLU H . 26785 1 298 . 1 1 65 65 GLU C C 13 176.941 0.3 . 1 . . . . . 65 GLU C . 26785 1 299 . 1 1 65 65 GLU CA C 13 58.092 0.3 . 1 . . . . . 65 GLU CA . 26785 1 300 . 1 1 65 65 GLU CB C 13 29.900 0.3 . 1 . . . . . 65 GLU CB . 26785 1 301 . 1 1 65 65 GLU N N 15 121.891 0.3 . 1 . . . . . 65 GLU N . 26785 1 302 . 1 1 66 66 TRP H H 1 8.217 0.020 . 1 . . . . . 66 TRP H . 26785 1 303 . 1 1 66 66 TRP C C 13 176.444 0.3 . 1 . . . . . 66 TRP C . 26785 1 304 . 1 1 66 66 TRP CA C 13 57.625 0.3 . 1 . . . . . 66 TRP CA . 26785 1 305 . 1 1 66 66 TRP CB C 13 29.358 0.3 . 1 . . . . . 66 TRP CB . 26785 1 306 . 1 1 66 66 TRP N N 15 125.497 0.3 . 1 . . . . . 66 TRP N . 26785 1 307 . 1 1 67 67 LYS H H 1 6.547 0.020 . 1 . . . . . 67 LYS H . 26785 1 308 . 1 1 67 67 LYS C C 13 175.006 0.3 . 1 . . . . . 67 LYS C . 26785 1 309 . 1 1 67 67 LYS CA C 13 55.538 0.3 . 1 . . . . . 67 LYS CA . 26785 1 310 . 1 1 67 67 LYS CB C 13 37.976 0.3 . 1 . . . . . 67 LYS CB . 26785 1 311 . 1 1 67 67 LYS N N 15 125.016 0.3 . 1 . . . . . 67 LYS N . 26785 1 312 . 1 1 68 68 PHE H H 1 9.023 0.020 . 1 . . . . . 68 PHE H . 26785 1 313 . 1 1 68 68 PHE C C 13 175.596 0.3 . 1 . . . . . 68 PHE C . 26785 1 314 . 1 1 68 68 PHE CA C 13 59.691 0.3 . 1 . . . . . 68 PHE CA . 26785 1 315 . 1 1 68 68 PHE CB C 13 40.359 0.3 . 1 . . . . . 68 PHE CB . 26785 1 316 . 1 1 68 68 PHE N N 15 119.763 0.3 . 1 . . . . . 68 PHE N . 26785 1 317 . 1 1 69 69 LYS H H 1 8.870 0.020 . 1 . . . . . 69 LYS H . 26785 1 318 . 1 1 69 69 LYS C C 13 175.264 0.3 . 1 . . . . . 69 LYS C . 26785 1 319 . 1 1 69 69 LYS CA C 13 57.409 0.3 . 1 . . . . . 69 LYS CA . 26785 1 320 . 1 1 69 69 LYS CB C 13 33.361 0.3 . 1 . . . . . 69 LYS CB . 26785 1 321 . 1 1 69 69 LYS N N 15 123.131 0.3 . 1 . . . . . 69 LYS N . 26785 1 322 . 1 1 70 70 GLU H H 1 7.765 0.020 . 1 . . . . . 70 GLU H . 26785 1 323 . 1 1 70 70 GLU C C 13 180.056 0.3 . 1 . . . . . 70 GLU C . 26785 1 324 . 1 1 70 70 GLU CA C 13 56.659 0.3 . 1 . . . . . 70 GLU CA . 26785 1 325 . 1 1 70 70 GLU CB C 13 31.904 0.3 . 1 . . . . . 70 GLU CB . 26785 1 326 . 1 1 70 70 GLU N N 15 124.436 0.3 . 1 . . . . . 70 GLU N . 26785 1 stop_ save_