################################### # 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 18635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 18635 1 3 '3D CBCA(CO)NH' . . . 18635 1 4 '3D HBHA(CO)NH' . . . 18635 1 5 '2D 1H-15N HSQC' . . . 18635 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 ASP H H 1 8.518 0.020 . 1 . . . . . 1 ASP H . 18635 1 2 . 1 1 1 1 ASP CA C 13 56.582 0.3 . 1 . . . . . 1 ASP CA . 18635 1 3 . 1 1 1 1 ASP N N 15 120.935 0.3 . 1 . . . . . 1 ASP N . 18635 1 4 . 1 1 2 2 HIS H H 1 7.999 0.020 . 1 . . . . . 2 HIS H . 18635 1 5 . 1 1 2 2 HIS HA H 1 4.067 0.020 . 1 . . . . . 2 HIS HA . 18635 1 6 . 1 1 2 2 HIS HB2 H 1 2.954 0.020 . 2 . . . . . 2 HIS HB2 . 18635 1 7 . 1 1 2 2 HIS HB3 H 1 2.447 0.020 . 2 . . . . . 2 HIS HB3 . 18635 1 8 . 1 1 2 2 HIS CA C 13 52.790 0.3 . 1 . . . . . 2 HIS CA . 18635 1 9 . 1 1 2 2 HIS N N 15 122.278 0.3 . 1 . . . . . 2 HIS N . 18635 1 10 . 1 1 3 3 TYR H H 1 8.332 0.020 . 1 . . . . . 3 TYR H . 18635 1 11 . 1 1 3 3 TYR CA C 13 55.440 0.3 . 1 . . . . . 3 TYR CA . 18635 1 12 . 1 1 3 3 TYR N N 15 118.171 0.3 . 1 . . . . . 3 TYR N . 18635 1 13 . 1 1 4 4 ASN HA H 1 4.286 0.020 . 1 . . . . . 4 ASN HA . 18635 1 14 . 1 1 4 4 ASN HB2 H 1 2.179 0.020 . 1 . . . . . 4 ASN HB2 . 18635 1 15 . 1 1 4 4 ASN CA C 13 55.531 0.3 . 1 . . . . . 4 ASN CA . 18635 1 16 . 1 1 4 4 ASN CB C 13 37.429 0.3 . 1 . . . . . 4 ASN CB . 18635 1 17 . 1 1 5 5 CYS H H 1 8.103 0.020 . 1 . . . . . 5 CYS H . 18635 1 18 . 1 1 5 5 CYS HA H 1 4.063 0.020 . 1 . . . . . 5 CYS HA . 18635 1 19 . 1 1 5 5 CYS HB2 H 1 2.939 0.020 . 1 . . . . . 5 CYS HB2 . 18635 1 20 . 1 1 5 5 CYS CA C 13 59.050 0.3 . 1 . . . . . 5 CYS CA . 18635 1 21 . 1 1 5 5 CYS N N 15 118.853 0.3 . 1 . . . . . 5 CYS N . 18635 1 22 . 1 1 6 6 VAL H H 1 8.175 0.020 . 1 . . . . . 6 VAL H . 18635 1 23 . 1 1 6 6 VAL CA C 13 65.035 0.3 . 1 . . . . . 6 VAL CA . 18635 1 24 . 1 1 6 6 VAL CB C 13 31.271 0.3 . 1 . . . . . 6 VAL CB . 18635 1 25 . 1 1 6 6 VAL N N 15 117.393 0.3 . 1 . . . . . 6 VAL N . 18635 1 26 . 1 1 7 7 SER H H 1 8.475 0.020 . 1 . . . . . 7 SER H . 18635 1 27 . 1 1 7 7 SER HA H 1 4.206 0.020 . 1 . . . . . 7 SER HA . 18635 1 28 . 1 1 7 7 SER HB2 H 1 3.719 0.020 . 1 . . . . . 7 SER HB2 . 18635 1 29 . 1 1 7 7 SER CA C 13 61.152 0.3 . 1 . . . . . 7 SER CA . 18635 1 30 . 1 1 7 7 SER CB C 13 62.421 0.3 . 1 . . . . . 7 SER CB . 18635 1 31 . 1 1 7 7 SER N N 15 117.296 0.3 . 1 . . . . . 7 SER N . 18635 1 32 . 1 1 8 8 SER H H 1 7.306 0.020 . 1 . . . . . 8 SER H . 18635 1 33 . 1 1 8 8 SER HA H 1 4.603 0.020 . 1 . . . . . 8 SER HA . 18635 1 34 . 1 1 8 8 SER HB2 H 1 3.977 0.020 . 1 . . . . . 8 SER HB2 . 18635 1 35 . 1 1 8 8 SER CA C 13 57.862 0.3 . 1 . . . . . 8 SER CA . 18635 1 36 . 1 1 8 8 SER CB C 13 63.529 0.3 . 1 . . . . . 8 SER CB . 18635 1 37 . 1 1 8 8 SER N N 15 114.084 0.3 . 1 . . . . . 8 SER N . 18635 1 38 . 1 1 9 9 GLY H H 1 7.772 0.020 . 1 . . . . . 9 GLY H . 18635 1 39 . 1 1 9 9 GLY HA2 H 1 4.325 0.020 . 2 . . . . . 9 GLY HA2 . 18635 1 40 . 1 1 9 9 GLY HA3 H 1 3.809 0.020 . 2 . . . . . 9 GLY HA3 . 18635 1 41 . 1 1 9 9 GLY CA C 13 44.976 0.3 . 1 . . . . . 9 GLY CA . 18635 1 42 . 1 1 9 9 GLY N N 15 107.971 0.3 . 1 . . . . . 9 GLY N . 18635 1 43 . 1 1 10 10 GLY H H 1 8.132 0.020 . 1 . . . . . 10 GLY H . 18635 1 44 . 1 1 10 10 GLY HA2 H 1 4.544 0.020 . 2 . . . . . 10 GLY HA2 . 18635 1 45 . 1 1 10 10 GLY HA3 H 1 3.282 0.020 . 2 . . . . . 10 GLY HA3 . 18635 1 46 . 1 1 10 10 GLY CA C 13 44.062 0.3 . 1 . . . . . 10 GLY CA . 18635 1 47 . 1 1 10 10 GLY N N 15 107.972 0.3 . 1 . . . . . 10 GLY N . 18635 1 48 . 1 1 11 11 GLN H H 1 8.139 0.020 . 1 . . . . . 11 GLN H . 18635 1 49 . 1 1 11 11 GLN HA H 1 4.574 0.020 . 1 . . . . . 11 GLN HA . 18635 1 50 . 1 1 11 11 GLN HB2 H 1 1.901 0.020 . 2 . . . . . 11 GLN HB2 . 18635 1 51 . 1 1 11 11 GLN HB3 H 1 1.692 0.020 . 2 . . . . . 11 GLN HB3 . 18635 1 52 . 1 1 11 11 GLN CA C 13 53.795 0.3 . 1 . . . . . 11 GLN CA . 18635 1 53 . 1 1 11 11 GLN CB C 13 32.442 0.3 . 1 . . . . . 11 GLN CB . 18635 1 54 . 1 1 11 11 GLN N N 15 114.512 0.3 . 1 . . . . . 11 GLN N . 18635 1 55 . 1 1 12 12 CYS H H 1 8.721 0.020 . 1 . . . . . 12 CYS H . 18635 1 56 . 1 1 12 12 CYS HA H 1 5.398 0.020 . 1 . . . . . 12 CYS HA . 18635 1 57 . 1 1 12 12 CYS HB2 H 1 2.855 0.020 . 2 . . . . . 12 CYS HB2 . 18635 1 58 . 1 1 12 12 CYS HB3 H 1 2.229 0.020 . 2 . . . . . 12 CYS HB3 . 18635 1 59 . 1 1 12 12 CYS CA C 13 52.950 0.3 . 1 . . . . . 12 CYS CA . 18635 1 60 . 1 1 12 12 CYS CB C 13 38.917 0.3 . 1 . . . . . 12 CYS CB . 18635 1 61 . 1 1 12 12 CYS N N 15 122.473 0.3 . 1 . . . . . 12 CYS N . 18635 1 62 . 1 1 13 13 LEU H H 1 9.308 0.020 . 1 . . . . . 13 LEU H . 18635 1 63 . 1 1 13 13 LEU HA H 1 4.822 0.020 . 1 . . . . . 13 LEU HA . 18635 1 64 . 1 1 13 13 LEU HB2 H 1 1.583 0.020 . 1 . . . . . 13 LEU HB2 . 18635 1 65 . 1 1 13 13 LEU CA C 13 53.337 0.3 . 1 . . . . . 13 LEU CA . 18635 1 66 . 1 1 13 13 LEU CB C 13 45.537 0.3 . 1 . . . . . 13 LEU CB . 18635 1 67 . 1 1 13 13 LEU N N 15 126.302 0.3 . 1 . . . . . 13 LEU N . 18635 1 68 . 1 1 14 14 TYR H H 1 9.050 0.020 . 1 . . . . . 14 TYR H . 18635 1 69 . 1 1 14 14 TYR HA H 1 4.623 0.020 . 1 . . . . . 14 TYR HA . 18635 1 70 . 1 1 14 14 TYR HB2 H 1 3.242 0.020 . 2 . . . . . 14 TYR HB2 . 18635 1 71 . 1 1 14 14 TYR HB3 H 1 2.805 0.020 . 2 . . . . . 14 TYR HB3 . 18635 1 72 . 1 1 14 14 TYR CA C 13 59.382 0.3 . 1 . . . . . 14 TYR CA . 18635 1 73 . 1 1 14 14 TYR CB C 13 37.553 0.3 . 1 . . . . . 14 TYR CB . 18635 1 74 . 1 1 14 14 TYR N N 15 121.091 0.3 . 1 . . . . . 14 TYR N . 18635 1 75 . 1 1 15 15 SER H H 1 7.549 0.020 . 1 . . . . . 15 SER H . 18635 1 76 . 1 1 15 15 SER HA H 1 4.196 0.020 . 1 . . . . . 15 SER HA . 18635 1 77 . 1 1 15 15 SER HB2 H 1 3.888 0.020 . 1 . . . . . 15 SER HB2 . 18635 1 78 . 1 1 15 15 SER CA C 13 57.633 0.3 . 1 . . . . . 15 SER CA . 18635 1 79 . 1 1 15 15 SER CB C 13 64.168 0.3 . 1 . . . . . 15 SER CB . 18635 1 80 . 1 1 15 15 SER N N 15 112.994 0.3 . 1 . . . . . 15 SER N . 18635 1 81 . 1 1 16 16 ALA H H 1 8.090 0.020 . 1 . . . . . 16 ALA H . 18635 1 82 . 1 1 16 16 ALA HA H 1 4.146 0.020 . 1 . . . . . 16 ALA HA . 18635 1 83 . 1 1 16 16 ALA HB1 H 1 1.305 0.020 . 1 . . . . . 16 ALA HB . 18635 1 84 . 1 1 16 16 ALA HB2 H 1 1.305 0.020 . 1 . . . . . 16 ALA HB . 18635 1 85 . 1 1 16 16 ALA HB3 H 1 1.305 0.020 . 1 . . . . . 16 ALA HB . 18635 1 86 . 1 1 16 16 ALA CA C 13 52.260 0.3 . 1 . . . . . 16 ALA CA . 18635 1 87 . 1 1 16 16 ALA CB C 13 18.922 0.3 . 1 . . . . . 16 ALA CB . 18635 1 88 . 1 1 16 16 ALA N N 15 119.748 0.3 . 1 . . . . . 16 ALA N . 18635 1 89 . 1 1 17 17 CYS H H 1 8.601 0.020 . 1 . . . . . 17 CYS H . 18635 1 90 . 1 1 17 17 CYS CA C 13 51.373 0.3 . 1 . . . . . 17 CYS CA . 18635 1 91 . 1 1 17 17 CYS N N 15 119.453 0.3 . 1 . . . . . 17 CYS N . 18635 1 92 . 1 1 18 18 PRO HA H 1 4.435 0.020 . 1 . . . . . 18 PRO HA . 18635 1 93 . 1 1 18 18 PRO HB2 H 1 2.249 0.020 . 2 . . . . . 18 PRO HB2 . 18635 1 94 . 1 1 18 18 PRO HB3 H 1 1.891 0.020 . 2 . . . . . 18 PRO HB3 . 18635 1 95 . 1 1 18 18 PRO CA C 13 63.163 0.3 . 1 . . . . . 18 PRO CA . 18635 1 96 . 1 1 18 18 PRO CB C 13 31.658 0.3 . 1 . . . . . 18 PRO CB . 18635 1 97 . 1 1 19 19 ILE H H 1 8.335 0.020 . 1 . . . . . 19 ILE H . 18635 1 98 . 1 1 19 19 ILE CA C 13 54.526 0.3 . 1 . . . . . 19 ILE CA . 18635 1 99 . 1 1 19 19 ILE CB C 13 40.640 0.3 . 1 . . . . . 19 ILE CB . 18635 1 100 . 1 1 19 19 ILE N N 15 119.884 0.3 . 1 . . . . . 19 ILE N . 18635 1 101 . 1 1 20 20 PHE HA H 1 4.464 0.020 . 1 . . . . . 20 PHE HA . 18635 1 102 . 1 1 20 20 PHE HB2 H 1 3.421 0.020 . 1 . . . . . 20 PHE HB2 . 18635 1 103 . 1 1 20 20 PHE CA C 13 58.367 0.3 . 1 . . . . . 20 PHE CA . 18635 1 104 . 1 1 20 20 PHE CB C 13 36.361 0.3 . 1 . . . . . 20 PHE CB . 18635 1 105 . 1 1 21 21 THR H H 1 8.039 0.020 . 1 . . . . . 21 THR H . 18635 1 106 . 1 1 21 21 THR HA H 1 4.812 0.020 . 1 . . . . . 21 THR HA . 18635 1 107 . 1 1 21 21 THR HB H 1 3.809 0.020 . 1 . . . . . 21 THR HB . 18635 1 108 . 1 1 21 21 THR CA C 13 60.512 0.3 . 1 . . . . . 21 THR CA . 18635 1 109 . 1 1 21 21 THR CB C 13 72.472 0.3 . 1 . . . . . 21 THR CB . 18635 1 110 . 1 1 21 21 THR N N 15 110.619 0.3 . 1 . . . . . 21 THR N . 18635 1 111 . 1 1 22 22 LYS H H 1 9.175 0.020 . 1 . . . . . 22 LYS H . 18635 1 112 . 1 1 22 22 LYS HA H 1 4.723 0.020 . 1 . . . . . 22 LYS HA . 18635 1 113 . 1 1 22 22 LYS HB2 H 1 1.741 0.020 . 1 . . . . . 22 LYS HB2 . 18635 1 114 . 1 1 22 22 LYS CA C 13 54.206 0.3 . 1 . . . . . 22 LYS CA . 18635 1 115 . 1 1 22 22 LYS CB C 13 35.956 0.3 . 1 . . . . . 22 LYS CB . 18635 1 116 . 1 1 22 22 LYS N N 15 118.950 0.3 . 1 . . . . . 22 LYS N . 18635 1 117 . 1 1 23 23 ILE H H 1 8.360 0.020 . 1 . . . . . 23 ILE H . 18635 1 118 . 1 1 23 23 ILE HA H 1 4.266 0.020 . 1 . . . . . 23 ILE HA . 18635 1 119 . 1 1 23 23 ILE CA C 13 62.842 0.3 . 1 . . . . . 23 ILE CA . 18635 1 120 . 1 1 23 23 ILE CB C 13 38.191 0.3 . 1 . . . . . 23 ILE CB . 18635 1 121 . 1 1 23 23 ILE N N 15 121.344 0.3 . 1 . . . . . 23 ILE N . 18635 1 122 . 1 1 24 24 GLN H H 1 9.321 0.020 . 1 . . . . . 24 GLN H . 18635 1 123 . 1 1 24 24 GLN HA H 1 4.355 0.020 . 1 . . . . . 24 GLN HA . 18635 1 124 . 1 1 24 24 GLN HB2 H 1 1.643 0.020 . 1 . . . . . 24 GLN HB2 . 18635 1 125 . 1 1 24 24 GLN CA C 13 54.530 0.3 . 1 . . . . . 24 GLN CA . 18635 1 126 . 1 1 24 24 GLN CB C 13 29.461 0.3 . 1 . . . . . 24 GLN CB . 18635 1 127 . 1 1 24 24 GLN N N 15 129.047 0.3 . 1 . . . . . 24 GLN N . 18635 1 128 . 1 1 25 25 GLY H H 1 8.485 0.020 . 1 . . . . . 25 GLY H . 18635 1 129 . 1 1 25 25 GLY HA2 H 1 3.997 0.020 . 1 . . . . . 25 GLY HA2 . 18635 1 130 . 1 1 25 25 GLY CA C 13 45.205 0.3 . 1 . . . . . 25 GLY CA . 18635 1 131 . 1 1 25 25 GLY N N 15 109.373 0.3 . 1 . . . . . 25 GLY N . 18635 1 132 . 1 1 26 26 THR H H 1 8.075 0.020 . 1 . . . . . 26 THR H . 18635 1 133 . 1 1 26 26 THR HA H 1 4.415 0.020 . 1 . . . . . 26 THR HA . 18635 1 134 . 1 1 26 26 THR HB H 1 4.256 0.020 . 1 . . . . . 26 THR HB . 18635 1 135 . 1 1 26 26 THR CA C 13 61.371 0.3 . 1 . . . . . 26 THR CA . 18635 1 136 . 1 1 26 26 THR CB C 13 69.704 0.3 . 1 . . . . . 26 THR CB . 18635 1 137 . 1 1 26 26 THR N N 15 112.702 0.3 . 1 . . . . . 26 THR N . 18635 1 138 . 1 1 27 27 CYS H H 1 8.475 0.020 . 1 . . . . . 27 CYS H . 18635 1 139 . 1 1 27 27 CYS HA H 1 4.574 0.020 . 1 . . . . . 27 CYS HA . 18635 1 140 . 1 1 27 27 CYS HB2 H 1 2.646 0.020 . 1 . . . . . 27 CYS HB2 . 18635 1 141 . 1 1 27 27 CYS CA C 13 54.389 0.3 . 1 . . . . . 27 CYS CA . 18635 1 142 . 1 1 27 27 CYS CB C 13 40.959 0.3 . 1 . . . . . 27 CYS CB . 18635 1 143 . 1 1 27 27 CYS N N 15 122.298 0.3 . 1 . . . . . 27 CYS N . 18635 1 144 . 1 1 28 28 TYR H H 1 8.303 0.020 . 1 . . . . . 28 TYR H . 18635 1 145 . 1 1 28 28 TYR HA H 1 4.544 0.020 . 1 . . . . . 28 TYR HA . 18635 1 146 . 1 1 28 28 TYR HB2 H 1 2.646 0.020 . 1 . . . . . 28 TYR HB2 . 18635 1 147 . 1 1 28 28 TYR CA C 13 54.572 0.3 . 1 . . . . . 28 TYR CA . 18635 1 148 . 1 1 28 28 TYR CB C 13 40.496 0.3 . 1 . . . . . 28 TYR CB . 18635 1 149 . 1 1 28 28 TYR N N 15 120.721 0.3 . 1 . . . . . 28 TYR N . 18635 1 150 . 1 1 29 29 ARG H H 1 8.124 0.020 . 1 . . . . . 29 ARG H . 18635 1 151 . 1 1 29 29 ARG HA H 1 3.928 0.020 . 1 . . . . . 29 ARG HA . 18635 1 152 . 1 1 29 29 ARG HB2 H 1 2.050 0.020 . 1 . . . . . 29 ARG HB2 . 18635 1 153 . 1 1 29 29 ARG CA C 13 56.354 0.3 . 1 . . . . . 29 ARG CA . 18635 1 154 . 1 1 29 29 ARG N N 15 120.572 0.3 . 1 . . . . . 29 ARG N . 18635 1 155 . 1 1 30 30 GLY H H 1 8.403 0.020 . 1 . . . . . 30 GLY H . 18635 1 156 . 1 1 30 30 GLY HA2 H 1 4.295 0.020 . 2 . . . . . 30 GLY HA2 . 18635 1 157 . 1 1 30 30 GLY HA3 H 1 3.441 0.020 . 2 . . . . . 30 GLY HA3 . 18635 1 158 . 1 1 30 30 GLY CA C 13 44.748 0.3 . 1 . . . . . 30 GLY CA . 18635 1 159 . 1 1 30 30 GLY N N 15 104.897 0.3 . 1 . . . . . 30 GLY N . 18635 1 160 . 1 1 31 31 LYS H H 1 7.628 0.020 . 1 . . . . . 31 LYS H . 18635 1 161 . 1 1 31 31 LYS HA H 1 4.305 0.020 . 1 . . . . . 31 LYS HA . 18635 1 162 . 1 1 31 31 LYS HB2 H 1 2.169 0.020 . 1 . . . . . 31 LYS HB2 . 18635 1 163 . 1 1 31 31 LYS CA C 13 57.999 0.3 . 1 . . . . . 31 LYS CA . 18635 1 164 . 1 1 31 31 LYS CB C 13 33.081 0.3 . 1 . . . . . 31 LYS CB . 18635 1 165 . 1 1 31 31 LYS N N 15 119.359 0.3 . 1 . . . . . 31 LYS N . 18635 1 166 . 1 1 32 32 ALA H H 1 8.189 0.020 . 1 . . . . . 32 ALA H . 18635 1 167 . 1 1 32 32 ALA HA H 1 4.564 0.020 . 1 . . . . . 32 ALA HA . 18635 1 168 . 1 1 32 32 ALA HB1 H 1 0.450 0.020 . 1 . . . . . 32 ALA HB . 18635 1 169 . 1 1 32 32 ALA HB2 H 1 0.450 0.020 . 1 . . . . . 32 ALA HB . 18635 1 170 . 1 1 32 32 ALA HB3 H 1 0.450 0.020 . 1 . . . . . 32 ALA HB . 18635 1 171 . 1 1 32 32 ALA CA C 13 49.180 0.3 . 1 . . . . . 32 ALA CA . 18635 1 172 . 1 1 32 32 ALA CB C 13 20.731 0.3 . 1 . . . . . 32 ALA CB . 18635 1 173 . 1 1 32 32 ALA N N 15 119.184 0.3 . 1 . . . . . 32 ALA N . 18635 1 174 . 1 1 33 33 LYS H H 1 8.607 0.020 . 1 . . . . . 33 LYS H . 18635 1 175 . 1 1 33 33 LYS HA H 1 4.365 0.020 . 1 . . . . . 33 LYS HA . 18635 1 176 . 1 1 33 33 LYS HB2 H 1 1.752 0.020 . 2 . . . . . 33 LYS HB2 . 18635 1 177 . 1 1 33 33 LYS HB3 H 1 1.613 0.020 . 2 . . . . . 33 LYS HB3 . 18635 1 178 . 1 1 33 33 LYS CA C 13 55.211 0.3 . 1 . . . . . 33 LYS CA . 18635 1 179 . 1 1 33 33 LYS N N 15 120.059 0.3 . 1 . . . . . 33 LYS N . 18635 1 180 . 1 1 34 34 CYS H H 1 7.903 0.020 . 1 . . . . . 34 CYS H . 18635 1 181 . 1 1 34 34 CYS HA H 1 5.041 0.020 . 1 . . . . . 34 CYS HA . 18635 1 182 . 1 1 34 34 CYS HB2 H 1 2.676 0.020 . 2 . . . . . 34 CYS HB2 . 18635 1 183 . 1 1 34 34 CYS HB3 H 1 2.288 0.020 . 2 . . . . . 34 CYS HB3 . 18635 1 184 . 1 1 34 34 CYS CA C 13 54.800 0.3 . 1 . . . . . 34 CYS CA . 18635 1 185 . 1 1 34 34 CYS CB C 13 39.575 0.3 . 1 . . . . . 34 CYS CB . 18635 1 186 . 1 1 34 34 CYS N N 15 119.437 0.3 . 1 . . . . . 34 CYS N . 18635 1 187 . 1 1 35 35 CYS H H 1 9.208 0.020 . 1 . . . . . 35 CYS H . 18635 1 188 . 1 1 35 35 CYS HA H 1 5.269 0.020 . 1 . . . . . 35 CYS HA . 18635 1 189 . 1 1 35 35 CYS HB2 H 1 2.994 0.020 . 2 . . . . . 35 CYS HB2 . 18635 1 190 . 1 1 35 35 CYS HB3 H 1 2.567 0.020 . 2 . . . . . 35 CYS HB3 . 18635 1 191 . 1 1 35 35 CYS CA C 13 53.380 0.3 . 1 . . . . . 35 CYS CA . 18635 1 192 . 1 1 35 35 CYS CB C 13 40.214 0.3 . 1 . . . . . 35 CYS CB . 18635 1 193 . 1 1 35 35 CYS N N 15 128.490 0.3 . 1 . . . . . 35 CYS N . 18635 1 194 . 1 1 36 36 LYS H H 1 9.214 0.020 . 1 . . . . . 36 LYS H . 18635 1 195 . 1 1 36 36 LYS CA C 13 58.540 0.3 . 1 . . . . . 36 LYS CA . 18635 1 196 . 1 1 36 36 LYS CB C 13 36.169 0.3 . 1 . . . . . 36 LYS CB . 18635 1 197 . 1 1 36 36 LYS N N 15 129.882 0.3 . 1 . . . . . 36 LYS N . 18635 1 stop_ save_