################################### # 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 26743 _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' . . . 26743 1 2 '2D 1H-13C HSQC' . . . 26743 1 3 '2D 1H-13C HMBC' . . . 26743 1 4 '2D 1H-1H TOCSY' . . . 26743 1 5 '2D DQF-COSY' . . . 26743 1 6 '2D 1H-1H NOESY' . . . 26743 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 1 1 GLY H H 1 8.244 . . 1 . . . . 1 GLY H . 26743 1 2 . 1 1 1 1 GLY HA2 H 1 3.815 . . 2 . . . . 1 GLY HA2 . 26743 1 3 . 1 1 1 1 GLY HA3 H 1 3.789 . . 2 . . . . 1 GLY HA3 . 26743 1 4 . 1 1 1 1 GLY CA C 13 41.558 . . 1 . . . . 1 GLY CA . 26743 1 5 . 1 1 1 1 GLY N N 15 107.961 . . 1 . . . . 1 GLY N . 26743 1 6 . 1 1 2 2 TRP H H 1 8.595 . . 1 . . . . 2 TRP H . 26743 1 7 . 1 1 2 2 TRP HA H 1 4.559 . . 1 . . . . 2 TRP HA . 26743 1 8 . 1 1 2 2 TRP HB2 H 1 3.112 . . 2 . . . . 2 TRP HB2 . 26743 1 9 . 1 1 2 2 TRP HB3 H 1 3.019 . . 2 . . . . 2 TRP HB3 . 26743 1 10 . 1 1 2 2 TRP C C 13 174.193 . . 1 . . . . 2 TRP C . 26743 1 11 . 1 1 2 2 TRP CA C 13 56.048 . . 1 . . . . 2 TRP CA . 26743 1 12 . 1 1 2 2 TRP CB C 13 28.043 . . 1 . . . . 2 TRP CB . 26743 1 13 . 1 1 2 2 TRP CG C 13 109.464 . . 1 . . . . 2 TRP CG . 26743 1 14 . 1 1 2 2 TRP CD1 C 13 126.669 . . 1 . . . . 2 TRP CD1 . 26743 1 15 . 1 1 2 2 TRP N N 15 121.512 . . 1 . . . . 2 TRP N . 26743 1 16 . 1 1 3 3 TRP H H 1 8.408 . . 1 . . . . 3 TRP H . 26743 1 17 . 1 1 3 3 TRP HA H 1 4.600 . . 1 . . . . 3 TRP HA . 26743 1 18 . 1 1 3 3 TRP HB2 H 1 3.140 . . 2 . . . . 3 TRP HB2 . 26743 1 19 . 1 1 3 3 TRP HB3 H 1 3.118 . . 2 . . . . 3 TRP HB3 . 26743 1 20 . 1 1 3 3 TRP C C 13 174.134 . . 1 . . . . 3 TRP C . 26743 1 21 . 1 1 3 3 TRP CA C 13 56.299 . . 1 . . . . 3 TRP CA . 26743 1 22 . 1 1 3 3 TRP CB C 13 28.183 . . 1 . . . . 3 TRP CB . 26743 1 23 . 1 1 3 3 TRP CG C 13 109.864 . . 1 . . . . 3 TRP CG . 26743 1 24 . 1 1 3 3 TRP CD1 C 13 126.669 . . 1 . . . . 3 TRP CD1 . 26743 1 25 . 1 1 3 3 TRP N N 15 120.464 . . 1 . . . . 3 TRP N . 26743 1 26 . 1 1 4 4 ARG H H 1 8.081 . . 1 . . . . 4 ARG H . 26743 1 27 . 1 1 4 4 ARG HA H 1 4.270 . . 1 . . . . 4 ARG HA . 26743 1 28 . 1 1 4 4 ARG HB2 H 1 1.778 . . 2 . . . . 4 ARG HB2 . 26743 1 29 . 1 1 4 4 ARG HB3 H 1 1.701 . . 2 . . . . 4 ARG HB3 . 26743 1 30 . 1 1 4 4 ARG HG2 H 1 1.569 . . 2 . . . . 4 ARG HG2 . 26743 1 31 . 1 1 4 4 ARG HG3 H 1 1.547 . . 2 . . . . 4 ARG HG3 . 26743 1 32 . 1 1 4 4 ARG HD2 H 1 3.125 . . 1 . . . . 4 ARG HD . 26743 1 33 . 1 1 4 4 ARG HD3 H 1 3.125 . . 1 . . . . 4 ARG HD . 26743 1 34 . 1 1 4 4 ARG HE H 1 7.136 . . 1 . . . . 4 ARG HE . 26743 1 35 . 1 1 4 4 ARG CA C 13 54.448 . . 1 . . . . 4 ARG CA . 26743 1 36 . 1 1 4 4 ARG CB C 13 29.096 . . 1 . . . . 4 ARG CB . 26743 1 37 . 1 1 4 4 ARG CG C 13 25.453 . . 1 . . . . 4 ARG CG . 26743 1 38 . 1 1 4 4 ARG CD C 13 41.705 . . 1 . . . . 4 ARG CD . 26743 1 39 . 1 1 4 4 ARG CZ C 13 157.878 . . 1 . . . . 4 ARG CZ . 26743 1 40 . 1 1 4 4 ARG N N 15 120.498 . . 1 . . . . 4 ARG N . 26743 1 41 . 1 1 5 5 ARG H H 1 8.088 . . 1 . . . . 5 ARG H . 26743 1 42 . 1 1 5 5 ARG HA H 1 4.271 . . 1 . . . . 5 ARG HA . 26743 1 43 . 1 1 5 5 ARG HB2 H 1 1.783 . . 2 . . . . 5 ARG HB2 . 26743 1 44 . 1 1 5 5 ARG HB3 H 1 1.704 . . 2 . . . . 5 ARG HB3 . 26743 1 45 . 1 1 5 5 ARG HG2 H 1 1.580 . . 2 . . . . 5 ARG HG2 . 26743 1 46 . 1 1 5 5 ARG HG3 H 1 1.542 . . 2 . . . . 5 ARG HG3 . 26743 1 47 . 1 1 5 5 ARG HD2 H 1 3.134 . . 1 . . . . 5 ARG HD . 26743 1 48 . 1 1 5 5 ARG HD3 H 1 3.134 . . 1 . . . . 5 ARG HD . 26743 1 49 . 1 1 5 5 ARG CA C 13 54.245 . . 1 . . . . 5 ARG CA . 26743 1 50 . 1 1 5 5 ARG CB C 13 29.440 . . 1 . . . . 5 ARG CB . 26743 1 51 . 1 1 5 5 ARG CG C 13 25.039 . . 1 . . . . 5 ARG CG . 26743 1 52 . 1 1 5 5 ARG CZ C 13 158.078 . . 1 . . . . 5 ARG CZ . 26743 1 53 . 1 1 5 5 ARG N N 15 119.583 . . 1 . . . . 5 ARG N . 26743 1 54 . 1 1 6 6 THR H H 1 8.108 . . 1 . . . . 6 THR H . 26743 1 55 . 1 1 6 6 THR HA H 1 4.269 . . 1 . . . . 6 THR HA . 26743 1 56 . 1 1 6 6 THR HB H 1 4.118 . . 1 . . . . 6 THR HB . 26743 1 57 . 1 1 6 6 THR HG21 H 1 1.132 . . 1 . . . . 6 THR HG2 . 26743 1 58 . 1 1 6 6 THR HG22 H 1 1.132 . . 1 . . . . 6 THR HG2 . 26743 1 59 . 1 1 6 6 THR HG23 H 1 1.132 . . 1 . . . . 6 THR HG2 . 26743 1 60 . 1 1 6 6 THR CA C 13 60.287 . . 1 . . . . 6 THR CA . 26743 1 61 . 1 1 6 6 THR CB C 13 68.228 . . 1 . . . . 6 THR CB . 26743 1 62 . 1 1 6 6 THR CG2 C 13 20.061 . . 1 . . . . 6 THR CG2 . 26743 1 63 . 1 1 6 6 THR N N 15 116.218 . . 1 . . . . 6 THR N . 26743 1 64 . 1 1 7 7 VAL H H 1 8.170 . . 1 . . . . 7 VAL H . 26743 1 65 . 1 1 7 7 VAL HA H 1 4.075 . . 1 . . . . 7 VAL HA . 26743 1 66 . 1 1 7 7 VAL HB H 1 2.017 . . 1 . . . . 7 VAL HB . 26743 1 67 . 1 1 7 7 VAL HG11 H 1 0.876 . . 2 . . . . 7 VAL HG1 . 26743 1 68 . 1 1 7 7 VAL HG12 H 1 0.876 . . 2 . . . . 7 VAL HG1 . 26743 1 69 . 1 1 7 7 VAL HG13 H 1 0.876 . . 2 . . . . 7 VAL HG1 . 26743 1 70 . 1 1 7 7 VAL HG21 H 1 0.862 . . 2 . . . . 7 VAL HG2 . 26743 1 71 . 1 1 7 7 VAL HG22 H 1 0.862 . . 2 . . . . 7 VAL HG2 . 26743 1 72 . 1 1 7 7 VAL HG23 H 1 0.862 . . 2 . . . . 7 VAL HG2 . 26743 1 73 . 1 1 7 7 VAL CA C 13 60.602 . . 1 . . . . 7 VAL CA . 26743 1 74 . 1 1 7 7 VAL CB C 13 31.419 . . 1 . . . . 7 VAL CB . 26743 1 75 . 1 1 7 7 VAL CG1 C 13 19.194 . . 2 . . . . 7 VAL CG1 . 26743 1 76 . 1 1 7 7 VAL CG2 C 13 18.691 . . 2 . . . . 7 VAL CG2 . 26743 1 77 . 1 1 7 7 VAL N N 15 122.146 . . 1 . . . . 7 VAL N . 26743 1 78 . 1 1 8 8 ASP H H 1 8.481 . . 1 . . . . 8 ASP H . 26743 1 79 . 1 1 8 8 ASP HA H 1 4.645 . . 1 . . . . 8 ASP HA . 26743 1 80 . 1 1 8 8 ASP HB2 H 1 2.841 . . 2 . . . . 8 ASP HB2 . 26743 1 81 . 1 1 8 8 ASP HB3 H 1 2.724 . . 2 . . . . 8 ASP HB3 . 26743 1 82 . 1 1 8 8 ASP C C 13 173.437 . . 1 . . . . 8 ASP C . 26743 1 83 . 1 1 8 8 ASP CA C 13 51.647 . . 1 . . . . 8 ASP CA . 26743 1 84 . 1 1 8 8 ASP CB C 13 37.010 . . 1 . . . . 8 ASP CB . 26743 1 85 . 1 1 8 8 ASP N N 15 123.290 . . 1 . . . . 8 ASP N . 26743 1 86 . 1 1 9 9 LYS H H 1 8.318 . . 1 . . . . 9 LYS H . 26743 1 87 . 1 1 9 9 LYS HA H 1 4.262 . . 1 . . . . 9 LYS HA . 26743 1 88 . 1 1 9 9 LYS HB2 H 1 1.783 . . 2 . . . . 9 LYS HB2 . 26743 1 89 . 1 1 9 9 LYS HB3 H 1 1.702 . . 2 . . . . 9 LYS HB3 . 26743 1 90 . 1 1 9 9 LYS HG2 H 1 1.337 . . 1 . . . . 9 LYS HG . 26743 1 91 . 1 1 9 9 LYS HG3 H 1 1.337 . . 1 . . . . 9 LYS HG . 26743 1 92 . 1 1 9 9 LYS HD2 H 1 1.631 . . 1 . . . . 9 LYS HD . 26743 1 93 . 1 1 9 9 LYS HD3 H 1 1.631 . . 1 . . . . 9 LYS HD . 26743 1 94 . 1 1 9 9 LYS HE2 H 1 2.936 . . 1 . . . . 9 LYS HE . 26743 1 95 . 1 1 9 9 LYS HE3 H 1 2.936 . . 1 . . . . 9 LYS HE . 26743 1 96 . 1 1 9 9 LYS C C 13 174.986 . . 1 . . . . 9 LYS C . 26743 1 97 . 1 1 9 9 LYS CA C 13 54.627 . . 1 . . . . 9 LYS CA . 26743 1 98 . 1 1 9 9 LYS CB C 13 31.526 . . 1 . . . . 9 LYS CB . 26743 1 99 . 1 1 9 9 LYS CG C 13 23.186 . . 1 . . . . 9 LYS CG . 26743 1 100 . 1 1 9 9 LYS CD C 13 27.678 . . 1 . . . . 9 LYS CD . 26743 1 101 . 1 1 9 9 LYS N N 15 122.725 . . 1 . . . . 9 LYS N . 26743 1 102 . 1 1 10 10 VAL H H 1 8.059 . . 1 . . . . 10 VAL H . 26743 1 103 . 1 1 10 10 VAL HA H 1 4.028 . . 1 . . . . 10 VAL HA . 26743 1 104 . 1 1 10 10 VAL HB H 1 2.022 . . 1 . . . . 10 VAL HB . 26743 1 105 . 1 1 10 10 VAL HG11 H 1 0.891 . . 2 . . . . 10 VAL HG1 . 26743 1 106 . 1 1 10 10 VAL HG12 H 1 0.891 . . 2 . . . . 10 VAL HG1 . 26743 1 107 . 1 1 10 10 VAL HG13 H 1 0.891 . . 2 . . . . 10 VAL HG1 . 26743 1 108 . 1 1 10 10 VAL HG21 H 1 0.866 . . 2 . . . . 10 VAL HG2 . 26743 1 109 . 1 1 10 10 VAL HG22 H 1 0.866 . . 2 . . . . 10 VAL HG2 . 26743 1 110 . 1 1 10 10 VAL HG23 H 1 0.866 . . 2 . . . . 10 VAL HG2 . 26743 1 111 . 1 1 10 10 VAL C C 13 174.757 . . 1 . . . . 10 VAL C . 26743 1 112 . 1 1 10 10 VAL CA C 13 60.931 . . 1 . . . . 10 VAL CA . 26743 1 113 . 1 1 10 10 VAL CB C 13 31.259 . . 1 . . . . 10 VAL CB . 26743 1 114 . 1 1 10 10 VAL CG1 C 13 19.286 . . 2 . . . . 10 VAL CG1 . 26743 1 115 . 1 1 10 10 VAL CG2 C 13 19.006 . . 2 . . . . 10 VAL CG2 . 26743 1 116 . 1 1 10 10 VAL N N 15 121.362 . . 1 . . . . 10 VAL N . 26743 1 117 . 1 1 11 11 ARG H H 1 8.411 . . 1 . . . . 11 ARG H . 26743 1 118 . 1 1 11 11 ARG HA H 1 4.271 . . 1 . . . . 11 ARG HA . 26743 1 119 . 1 1 11 11 ARG HB2 H 1 1.774 . . 2 . . . . 11 ARG HB2 . 26743 1 120 . 1 1 11 11 ARG HB3 H 1 1.700 . . 2 . . . . 11 ARG HB3 . 26743 1 121 . 1 1 11 11 ARG HG2 H 1 1.609 . . 2 . . . . 11 ARG HG2 . 26743 1 122 . 1 1 11 11 ARG HG3 H 1 1.537 . . 2 . . . . 11 ARG HG3 . 26743 1 123 . 1 1 11 11 ARG HD2 H 1 3.149 . . 1 . . . . 11 ARG HD . 26743 1 124 . 1 1 11 11 ARG HD3 H 1 3.149 . . 1 . . . . 11 ARG HD . 26743 1 125 . 1 1 11 11 ARG HE H 1 7.133 . . 1 . . . . 11 ARG HE . 26743 1 126 . 1 1 11 11 ARG C C 13 174.721 . . 1 . . . . 11 ARG C . 26743 1 127 . 1 1 11 11 ARG CA C 13 54.521 . . 1 . . . . 11 ARG CA . 26743 1 128 . 1 1 11 11 ARG CB C 13 29.399 . . 1 . . . . 11 ARG CB . 26743 1 129 . 1 1 11 11 ARG CG C 13 25.372 . . 1 . . . . 11 ARG CG . 26743 1 130 . 1 1 11 11 ARG CD C 13 41.661 . . 1 . . . . 11 ARG CD . 26743 1 131 . 1 1 11 11 ARG CZ C 13 157.878 . . 1 . . . . 11 ARG CZ . 26743 1 132 . 1 1 11 11 ARG N N 15 125.134 . . 1 . . . . 11 ARG N . 26743 1 133 . 1 1 12 12 ASN H H 1 8.453 . . 1 . . . . 12 ASN H . 26743 1 134 . 1 1 12 12 ASN HA H 1 4.633 . . 1 . . . . 12 ASN HA . 26743 1 135 . 1 1 12 12 ASN HB2 H 1 2.784 . . 2 . . . . 12 ASN HB2 . 26743 1 136 . 1 1 12 12 ASN HB3 H 1 2.711 . . 2 . . . . 12 ASN HB3 . 26743 1 137 . 1 1 12 12 ASN HD21 H 1 6.879 . . 2 . . . . 12 ASN HD21 . 26743 1 138 . 1 1 12 12 ASN HD22 H 1 7.581 . . 2 . . . . 12 ASN HD22 . 26743 1 139 . 1 1 12 12 ASN C C 13 173.437 . . 1 . . . . 12 ASN C . 26743 1 140 . 1 1 12 12 ASN CA C 13 51.647 . . 1 . . . . 12 ASN CA . 26743 1 141 . 1 1 12 12 ASN CB C 13 37.205 . . 1 . . . . 12 ASN CB . 26743 1 142 . 1 1 12 12 ASN N N 15 120.275 . . 1 . . . . 12 ASN N . 26743 1 143 . 1 1 12 12 ASN ND2 N 15 112.768 . . 1 . . . . 12 ASN ND2 . 26743 1 144 . 1 1 13 13 ALA H H 1 8.332 . . 1 . . . . 13 ALA H . 26743 1 145 . 1 1 13 13 ALA HA H 1 4.268 . . 1 . . . . 13 ALA HA . 26743 1 146 . 1 1 13 13 ALA HB1 H 1 1.356 . . 1 . . . . 13 ALA HB . 26743 1 147 . 1 1 13 13 ALA HB2 H 1 1.356 . . 1 . . . . 13 ALA HB . 26743 1 148 . 1 1 13 13 ALA HB3 H 1 1.356 . . 1 . . . . 13 ALA HB . 26743 1 149 . 1 1 13 13 ALA C C 13 176.481 . . 1 . . . . 13 ALA C . 26743 1 150 . 1 1 13 13 ALA CA C 13 50.908 . . 1 . . . . 13 ALA CA . 26743 1 151 . 1 1 13 13 ALA CB C 13 17.705 . . 1 . . . . 13 ALA CB . 26743 1 152 . 1 1 13 13 ALA N N 15 124.727 . . 1 . . . . 13 ALA N . 26743 1 153 . 1 1 14 14 GLY H H 1 8.299 . . 1 . . . . 14 GLY H . 26743 1 154 . 1 1 14 14 GLY HA2 H 1 3.867 . . 2 . . . . 14 GLY HA2 . 26743 1 155 . 1 1 14 14 GLY HA3 H 1 3.840 . . 2 . . . . 14 GLY HA3 . 26743 1 156 . 1 1 14 14 GLY C C 13 172.447 . . 1 . . . . 14 GLY C . 26743 1 157 . 1 1 14 14 GLY CA C 13 43.692 . . 1 . . . . 14 GLY CA . 26743 1 158 . 1 1 14 14 GLY N N 15 109.038 . . 1 . . . . 14 GLY N . 26743 1 159 . 1 1 15 15 ARG H H 1 8.073 . . 1 . . . . 15 ARG H . 26743 1 160 . 1 1 15 15 ARG HA H 1 4.276 . . 1 . . . . 15 ARG HA . 26743 1 161 . 1 1 15 15 ARG HB2 H 1 1.775 . . 2 . . . . 15 ARG HB2 . 26743 1 162 . 1 1 15 15 ARG HB3 H 1 1.703 . . 2 . . . . 15 ARG HB3 . 26743 1 163 . 1 1 15 15 ARG HG2 H 1 1.566 . . 2 . . . . 15 ARG HG2 . 26743 1 164 . 1 1 15 15 ARG HG3 H 1 1.538 . . 2 . . . . 15 ARG HG3 . 26743 1 165 . 1 1 15 15 ARG HD2 H 1 3.111 . . 1 . . . . 15 ARG HD . 26743 1 166 . 1 1 15 15 ARG HD3 H 1 3.111 . . 1 . . . . 15 ARG HD . 26743 1 167 . 1 1 15 15 ARG HE H 1 7.132 . . 1 . . . . 15 ARG HE . 26743 1 168 . 1 1 15 15 ARG C C 13 174.941 . . 1 . . . . 15 ARG C . 26743 1 169 . 1 1 15 15 ARG CA C 13 54.150 . . 1 . . . . 15 ARG CA . 26743 1 170 . 1 1 15 15 ARG CB C 13 29.162 . . 1 . . . . 15 ARG CB . 26743 1 171 . 1 1 15 15 ARG CG C 13 25.565 . . 1 . . . . 15 ARG CG . 26743 1 172 . 1 1 15 15 ARG CD C 13 41.645 . . 1 . . . . 15 ARG CD . 26743 1 173 . 1 1 15 15 ARG N N 15 120.503 . . 1 . . . . 15 ARG N . 26743 1 174 . 1 1 16 16 LYS H H 1 8.396 . . 1 . . . . 16 LYS H . 26743 1 175 . 1 1 16 16 LYS HA H 1 4.286 . . 1 . . . . 16 LYS HA . 26743 1 176 . 1 1 16 16 LYS HB2 H 1 1.772 . . 2 . . . . 16 LYS HB2 . 26743 1 177 . 1 1 16 16 LYS HB3 H 1 1.698 . . 2 . . . . 16 LYS HB3 . 26743 1 178 . 1 1 16 16 LYS HG2 H 1 1.396 . . 1 . . . . 16 LYS HG . 26743 1 179 . 1 1 16 16 LYS HG3 H 1 1.396 . . 1 . . . . 16 LYS HG . 26743 1 180 . 1 1 16 16 LYS HD2 H 1 1.626 . . 1 . . . . 16 LYS HD . 26743 1 181 . 1 1 16 16 LYS HD3 H 1 1.626 . . 1 . . . . 16 LYS HD . 26743 1 182 . 1 1 16 16 LYS HE2 H 1 2.932 . . 1 . . . . 16 LYS HE . 26743 1 183 . 1 1 16 16 LYS HE3 H 1 2.932 . . 1 . . . . 16 LYS HE . 26743 1 184 . 1 1 16 16 LYS C C 13 174.977 . . 1 . . . . 16 LYS C . 26743 1 185 . 1 1 16 16 LYS CA C 13 54.848 . . 1 . . . . 16 LYS CA . 26743 1 186 . 1 1 16 16 LYS CB C 13 31.454 . . 1 . . . . 16 LYS CB . 26743 1 187 . 1 1 16 16 LYS CG C 13 23.037 . . 1 . . . . 16 LYS CG . 26743 1 188 . 1 1 16 16 LYS CD C 13 27.517 . . 1 . . . . 16 LYS CD . 26743 1 189 . 1 1 16 16 LYS CE C 13 41.480 . . 1 . . . . 16 LYS CE . 26743 1 190 . 1 1 16 16 LYS N N 15 123.483 . . 1 . . . . 16 LYS N . 26743 1 191 . 1 1 17 17 VAL H H 1 8.157 . . 1 . . . . 17 VAL H . 26743 1 192 . 1 1 17 17 VAL HA H 1 4.075 . . 1 . . . . 17 VAL HA . 26743 1 193 . 1 1 17 17 VAL HB H 1 2.013 . . 1 . . . . 17 VAL HB . 26743 1 194 . 1 1 17 17 VAL HG11 H 1 0.881 . . 2 . . . . 17 VAL HG1 . 26743 1 195 . 1 1 17 17 VAL HG12 H 1 0.881 . . 2 . . . . 17 VAL HG1 . 26743 1 196 . 1 1 17 17 VAL HG13 H 1 0.881 . . 2 . . . . 17 VAL HG1 . 26743 1 197 . 1 1 17 17 VAL HG21 H 1 0.860 . . 2 . . . . 17 VAL HG2 . 26743 1 198 . 1 1 17 17 VAL HG22 H 1 0.860 . . 2 . . . . 17 VAL HG2 . 26743 1 199 . 1 1 17 17 VAL HG23 H 1 0.860 . . 2 . . . . 17 VAL HG2 . 26743 1 200 . 1 1 17 17 VAL CA C 13 60.554 . . 1 . . . . 17 VAL CA . 26743 1 201 . 1 1 17 17 VAL CB C 13 31.334 . . 1 . . . . 17 VAL CB . 26743 1 202 . 1 1 17 17 VAL CG1 C 13 19.237 . . 2 . . . . 17 VAL CG1 . 26743 1 203 . 1 1 17 17 VAL CG2 C 13 19.069 . . 2 . . . . 17 VAL CG2 . 26743 1 204 . 1 1 17 17 VAL N N 15 121.881 . . 1 . . . . 17 VAL N . 26743 1 205 . 1 1 18 18 ALA H H 1 8.388 . . 1 . . . . 18 ALA H . 26743 1 206 . 1 1 18 18 ALA HA H 1 4.271 . . 1 . . . . 18 ALA HA . 26743 1 207 . 1 1 18 18 ALA HB1 H 1 1.328 . . 1 . . . . 18 ALA HB . 26743 1 208 . 1 1 18 18 ALA HB2 H 1 1.328 . . 1 . . . . 18 ALA HB . 26743 1 209 . 1 1 18 18 ALA HB3 H 1 1.328 . . 1 . . . . 18 ALA HB . 26743 1 210 . 1 1 18 18 ALA C C 13 176.481 . . 1 . . . . 18 ALA C . 26743 1 211 . 1 1 18 18 ALA CA C 13 50.646 . . 1 . . . . 18 ALA CA . 26743 1 212 . 1 1 18 18 ALA CB C 13 17.582 . . 1 . . . . 18 ALA CB . 26743 1 213 . 1 1 18 18 ALA N N 15 128.071 . . 1 . . . . 18 ALA N . 26743 1 214 . 1 1 19 19 GLY H H 1 8.265 . . 1 . . . . 19 GLY H . 26743 1 215 . 1 1 19 19 GLY HA2 H 1 3.837 . . 2 . . . . 19 GLY HA2 . 26743 1 216 . 1 1 19 19 GLY HA3 H 1 3.825 . . 2 . . . . 19 GLY HA3 . 26743 1 217 . 1 1 19 19 GLY C C 13 172.484 . . 1 . . . . 19 GLY C . 26743 1 218 . 1 1 19 19 GLY CA C 13 43.608 . . 1 . . . . 19 GLY CA . 26743 1 219 . 1 1 19 19 GLY N N 15 108.031 . . 1 . . . . 19 GLY N . 26743 1 220 . 1 1 20 20 PHE H H 1 8.051 . . 1 . . . . 20 PHE H . 26743 1 221 . 1 1 20 20 PHE HA H 1 4.551 . . 1 . . . . 20 PHE HA . 26743 1 222 . 1 1 20 20 PHE HB2 H 1 3.101 . . 2 . . . . 20 PHE HB2 . 26743 1 223 . 1 1 20 20 PHE HB3 H 1 2.981 . . 2 . . . . 20 PHE HB3 . 26743 1 224 . 1 1 20 20 PHE HD1 H 1 7.212 . . 1 . . . . 20 PHE HD . 26743 1 225 . 1 1 20 20 PHE HD2 H 1 7.212 . . 1 . . . . 20 PHE HD . 26743 1 226 . 1 1 20 20 PHE HE1 H 1 7.317 . . 1 . . . . 20 PHE HE . 26743 1 227 . 1 1 20 20 PHE HE2 H 1 7.317 . . 1 . . . . 20 PHE HE . 26743 1 228 . 1 1 20 20 PHE HZ H 1 7.273 . . 1 . . . . 20 PHE HZ . 26743 1 229 . 1 1 20 20 PHE C C 13 174.126 . . 1 . . . . 20 PHE C . 26743 1 230 . 1 1 20 20 PHE CA C 13 56.059 . . 1 . . . . 20 PHE CA . 26743 1 231 . 1 1 20 20 PHE CB C 13 38.135 . . 1 . . . . 20 PHE CB . 26743 1 232 . 1 1 20 20 PHE CZ C 13 128.166 . . 1 . . . . 20 PHE CZ . 26743 1 233 . 1 1 20 20 PHE N N 15 119.837 . . 1 . . . . 20 PHE N . 26743 1 234 . 1 1 21 21 ALA H H 1 8.249 . . 1 . . . . 21 ALA H . 26743 1 235 . 1 1 21 21 ALA HA H 1 4.275 . . 1 . . . . 21 ALA HA . 26743 1 236 . 1 1 21 21 ALA HB1 H 1 1.307 . . 1 . . . . 21 ALA HB . 26743 1 237 . 1 1 21 21 ALA HB2 H 1 1.307 . . 1 . . . . 21 ALA HB . 26743 1 238 . 1 1 21 21 ALA HB3 H 1 1.307 . . 1 . . . . 21 ALA HB . 26743 1 239 . 1 1 21 21 ALA C C 13 176.481 . . 1 . . . . 21 ALA C . 26743 1 240 . 1 1 21 21 ALA CA C 13 50.646 . . 1 . . . . 21 ALA CA . 26743 1 241 . 1 1 21 21 ALA CB C 13 17.637 . . 1 . . . . 21 ALA CB . 26743 1 242 . 1 1 21 21 ALA N N 15 125.648 . . 1 . . . . 21 ALA N . 26743 1 243 . 1 1 22 22 SER H H 1 8.146 . . 1 . . . . 22 SER H . 26743 1 244 . 1 1 22 22 SER HA H 1 4.360 . . 1 . . . . 22 SER HA . 26743 1 245 . 1 1 22 22 SER HB2 H 1 3.858 . . 2 . . . . 22 SER HB2 . 26743 1 246 . 1 1 22 22 SER HB3 H 1 3.824 . . 2 . . . . 22 SER HB3 . 26743 1 247 . 1 1 22 22 SER C C 13 173.217 . . 1 . . . . 22 SER C . 26743 1 248 . 1 1 22 22 SER CA C 13 56.682 . . 1 . . . . 22 SER CA . 26743 1 249 . 1 1 22 22 SER CB C 13 62.288 . . 1 . . . . 22 SER CB . 26743 1 250 . 1 1 22 22 SER N N 15 115.194 . . 1 . . . . 22 SER N . 26743 1 251 . 1 1 23 23 LYS H H 1 8.304 . . 1 . . . . 23 LYS H . 26743 1 252 . 1 1 23 23 LYS HA H 1 4.274 . . 1 . . . . 23 LYS HA . 26743 1 253 . 1 1 23 23 LYS HB2 H 1 1.787 . . 2 . . . . 23 LYS HB2 . 26743 1 254 . 1 1 23 23 LYS HB3 H 1 1.705 . . 2 . . . . 23 LYS HB3 . 26743 1 255 . 1 1 23 23 LYS HG2 H 1 1.394 . . 2 . . . . 23 LYS HG2 . 26743 1 256 . 1 1 23 23 LYS HG3 H 1 1.355 . . 2 . . . . 23 LYS HG3 . 26743 1 257 . 1 1 23 23 LYS HD2 H 1 1.629 . . 1 . . . . 23 LYS HD . 26743 1 258 . 1 1 23 23 LYS HD3 H 1 1.629 . . 1 . . . . 23 LYS HD . 26743 1 259 . 1 1 23 23 LYS HE2 H 1 2.943 . . 1 . . . . 23 LYS HE . 26743 1 260 . 1 1 23 23 LYS HE3 H 1 2.943 . . 1 . . . . 23 LYS HE . 26743 1 261 . 1 1 23 23 LYS C C 13 174.904 . . 1 . . . . 23 LYS C . 26743 1 262 . 1 1 23 23 LYS CA C 13 54.739 . . 1 . . . . 23 LYS CA . 26743 1 263 . 1 1 23 23 LYS CB C 13 31.621 . . 1 . . . . 23 LYS CB . 26743 1 264 . 1 1 23 23 LYS CG C 13 23.155 . . 1 . . . . 23 LYS CG . 26743 1 265 . 1 1 23 23 LYS CD C 13 27.519 . . 1 . . . . 23 LYS CD . 26743 1 266 . 1 1 23 23 LYS CE C 13 40.577 . . 1 . . . . 23 LYS CE . 26743 1 267 . 1 1 23 23 LYS N N 15 123.119 . . 1 . . . . 23 LYS N . 26743 1 268 . 1 1 24 24 ALA H H 1 8.279 . . 1 . . . . 24 ALA H . 26743 1 269 . 1 1 24 24 ALA HA H 1 4.277 . . 1 . . . . 24 ALA HA . 26743 1 270 . 1 1 24 24 ALA HB1 H 1 1.351 . . 1 . . . . 24 ALA HB . 26743 1 271 . 1 1 24 24 ALA HB2 H 1 1.351 . . 1 . . . . 24 ALA HB . 26743 1 272 . 1 1 24 24 ALA HB3 H 1 1.351 . . 1 . . . . 24 ALA HB . 26743 1 273 . 1 1 24 24 ALA C C 13 176.433 . . 1 . . . . 24 ALA C . 26743 1 274 . 1 1 24 24 ALA CA C 13 50.846 . . 1 . . . . 24 ALA CA . 26743 1 275 . 1 1 24 24 ALA CB C 13 17.437 . . 1 . . . . 24 ALA CB . 26743 1 276 . 1 1 24 24 ALA N N 15 125.026 . . 1 . . . . 24 ALA N . 26743 1 277 . 1 1 25 25 CYS H H 1 8.303 . . 1 . . . . 25 CYS H . 26743 1 278 . 1 1 25 25 CYS HA H 1 4.458 . . 1 . . . . 25 CYS HA . 26743 1 279 . 1 1 25 25 CYS HB2 H 1 2.911 . . 1 . . . . 25 CYS HB . 26743 1 280 . 1 1 25 25 CYS HB3 H 1 2.911 . . 1 . . . . 25 CYS HB . 26743 1 281 . 1 1 25 25 CYS C C 13 173.621 . . 1 . . . . 25 CYS C . 26743 1 282 . 1 1 25 25 CYS CA C 13 56.969 . . 1 . . . . 25 CYS CA . 26743 1 283 . 1 1 25 25 CYS CB C 13 26.517 . . 1 . . . . 25 CYS CB . 26743 1 284 . 1 1 25 25 CYS N N 15 118.341 . . 1 . . . . 25 CYS N . 26743 1 285 . 1 1 26 26 GLY H H 1 8.393 . . 1 . . . . 26 GLY H . 26743 1 286 . 1 1 26 26 GLY HA2 H 1 3.916 . . 2 . . . . 26 GLY HA2 . 26743 1 287 . 1 1 26 26 GLY HA3 H 1 3.863 . . 2 . . . . 26 GLY HA3 . 26743 1 288 . 1 1 26 26 GLY C C 13 172.411 . . 1 . . . . 26 GLY C . 26743 1 289 . 1 1 26 26 GLY CA C 13 43.616 . . 1 . . . . 26 GLY CA . 26743 1 290 . 1 1 26 26 GLY N N 15 111.267 . . 1 . . . . 26 GLY N . 26743 1 291 . 1 1 27 27 ALA H H 1 8.160 . . 1 . . . . 27 ALA H . 26743 1 292 . 1 1 27 27 ALA HA H 1 4.278 . . 1 . . . . 27 ALA HA . 26743 1 293 . 1 1 27 27 ALA HB1 H 1 1.337 . . 1 . . . . 27 ALA HB . 26743 1 294 . 1 1 27 27 ALA HB2 H 1 1.337 . . 1 . . . . 27 ALA HB . 26743 1 295 . 1 1 27 27 ALA HB3 H 1 1.337 . . 1 . . . . 27 ALA HB . 26743 1 296 . 1 1 27 27 ALA C C 13 176.311 . . 1 . . . . 27 ALA C . 26743 1 297 . 1 1 27 27 ALA CA C 13 50.987 . . 1 . . . . 27 ALA CA . 26743 1 298 . 1 1 27 27 ALA CB C 13 17.727 . . 1 . . . . 27 ALA CB . 26743 1 299 . 1 1 27 27 ALA N N 15 123.749 . . 1 . . . . 27 ALA N . 26743 1 300 . 1 1 28 28 LEU H H 1 8.209 . . 1 . . . . 28 LEU H . 26743 1 301 . 1 1 28 28 LEU HA H 1 4.284 . . 1 . . . . 28 LEU HA . 26743 1 302 . 1 1 28 28 LEU HB2 H 1 1.630 . . 2 . . . . 28 LEU HB2 . 26743 1 303 . 1 1 28 28 LEU HB3 H 1 1.547 . . 2 . . . . 28 LEU HB3 . 26743 1 304 . 1 1 28 28 LEU HG H 1 1.572 . . 1 . . . . 28 LEU HG . 26743 1 305 . 1 1 28 28 LEU HD11 H 1 0.896 . . 2 . . . . 28 LEU HD1 . 26743 1 306 . 1 1 28 28 LEU HD12 H 1 0.896 . . 2 . . . . 28 LEU HD1 . 26743 1 307 . 1 1 28 28 LEU HD13 H 1 0.896 . . 2 . . . . 28 LEU HD1 . 26743 1 308 . 1 1 28 28 LEU HD21 H 1 0.839 . . 2 . . . . 28 LEU HD2 . 26743 1 309 . 1 1 28 28 LEU HD22 H 1 0.839 . . 2 . . . . 28 LEU HD2 . 26743 1 310 . 1 1 28 28 LEU HD23 H 1 0.839 . . 2 . . . . 28 LEU HD2 . 26743 1 311 . 1 1 28 28 LEU CA C 13 54.648 . . 1 . . . . 28 LEU CA . 26743 1 312 . 1 1 28 28 LEU CB C 13 40.581 . . 1 . . . . 28 LEU CB . 26743 1 313 . 1 1 28 28 LEU CG C 13 17.608 . . 1 . . . . 28 LEU CG . 26743 1 314 . 1 1 28 28 LEU CD1 C 13 23.456 . . 2 . . . . 28 LEU CD1 . 26743 1 315 . 1 1 28 28 LEU CD2 C 13 21.799 . . 2 . . . . 28 LEU CD2 . 26743 1 316 . 1 1 28 28 LEU N N 15 120.826 . . 1 . . . . 28 LEU N . 26743 1 317 . 1 1 29 29 GLY H H 1 8.336 . . 1 . . . . 29 GLY H . 26743 1 318 . 1 1 29 29 GLY HA2 H 1 3.890 . . 2 . . . . 29 GLY HA2 . 26743 1 319 . 1 1 29 29 GLY HA3 H 1 3.870 . . 2 . . . . 29 GLY HA3 . 26743 1 320 . 1 1 29 29 GLY C C 13 172.411 . . 1 . . . . 29 GLY C . 26743 1 321 . 1 1 29 29 GLY CA C 13 43.662 . . 1 . . . . 29 GLY CA . 26743 1 322 . 1 1 29 29 GLY N N 15 107.774 . . 1 . . . . 29 GLY N . 26743 1 323 . 1 1 30 30 HIS H H 1 8.079 . . 1 . . . . 30 HIS H . 26743 1 324 . 1 1 30 30 HIS HA H 1 4.617 . . 1 . . . . 30 HIS HA . 26743 1 325 . 1 1 30 30 HIS HB2 H 1 3.274 . . 2 . . . . 30 HIS HB2 . 26743 1 326 . 1 1 30 30 HIS HB3 H 1 3.119 . . 2 . . . . 30 HIS HB3 . 26743 1 327 . 1 1 30 30 HIS HD2 H 1 7.213 . . 1 . . . . 30 HIS HD2 . 26743 1 328 . 1 1 30 30 HIS HE1 H 1 8.553 . . 1 . . . . 30 HIS HE1 . 26743 1 329 . 1 1 30 30 HIS C C 13 175.674 . . 1 . . . . 30 HIS C . 26743 1 330 . 1 1 30 30 HIS CA C 13 54.047 . . 1 . . . . 30 HIS CA . 26743 1 331 . 1 1 30 30 HIS CB C 13 27.700 . . 1 . . . . 30 HIS CB . 26743 1 332 . 1 1 30 30 HIS CG C 13 130.070 . . 1 . . . . 30 HIS CG . 26743 1 333 . 1 1 30 30 HIS CD2 C 13 118.066 . . 1 . . . . 30 HIS CD2 . 26743 1 334 . 1 1 30 30 HIS CE1 C 13 134.298 . . 1 . . . . 30 HIS CE1 . 26743 1 335 . 1 1 30 30 HIS N N 15 123.526 . . 1 . . . . 30 HIS N . 26743 1 stop_ save_