################################### # 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 26045 _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' . . . 26045 1 2 '2D 1H-13C HSQC aliphatic' . . . 26045 1 3 '2D 1H-13C HSQC aromatic' . . . 26045 1 4 '2D 1H-1H DPFGSE TOCSY' . . . 26045 1 5 '2D 1H-1H DPFGSE NOESY' . . . 26045 1 6 '3D HNCO' . . . 26045 1 7 '3D HNCA' . . . 26045 1 9 '3D 1H-15N TOCSY HSQC' . . . 26045 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 1 $vnmrj . . 26045 1 2 $prosa . . 26045 1 3 $xeasy . . 26045 1 4 $cara . . 26045 1 5 $cyana . . 26045 1 6 $CNS . . 26045 1 7 $pdbstat . . 26045 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 ALA HA H 1 4.406 0.030 . 1 . . . A 1 ALA HA . 26045 1 2 . 1 1 1 1 ALA HB1 H 1 1.590 0.030 . 1 . . . A 1 ALA HB1 . 26045 1 3 . 1 1 1 1 ALA HB2 H 1 1.590 0.030 . 1 . . . A 1 ALA HB2 . 26045 1 4 . 1 1 1 1 ALA HB3 H 1 1.590 0.030 . 1 . . . A 1 ALA HB3 . 26045 1 5 . 1 1 1 1 ALA CA C 13 51.011 0.400 . 1 . . . A 1 ALA CA . 26045 1 6 . 1 1 1 1 ALA CB C 13 18.000 0.400 . 1 . . . A 1 ALA CB . 26045 1 7 . 1 1 2 2 PRO HA H 1 4.501 0.030 . 1 . . . A 2 PRO HA . 26045 1 8 . 1 1 2 2 PRO HB2 H 1 1.993 0.030 . 2 . . . A 2 PRO HB2 . 26045 1 9 . 1 1 2 2 PRO HB3 H 1 2.411 0.030 . 2 . . . A 2 PRO HB3 . 26045 1 10 . 1 1 2 2 PRO HG2 H 1 2.142 0.030 . 2 . . . A 2 PRO HG2 . 26045 1 11 . 1 1 2 2 PRO HG3 H 1 2.069 0.030 . 2 . . . A 2 PRO HG3 . 26045 1 12 . 1 1 2 2 PRO HD2 H 1 3.748 0.030 . 2 . . . A 2 PRO HD2 . 26045 1 13 . 1 1 2 2 PRO HD3 H 1 3.786 0.030 . 2 . . . A 2 PRO HD3 . 26045 1 14 . 1 1 2 2 PRO C C 13 178.016 0.400 . 1 . . . A 2 PRO C . 26045 1 15 . 1 1 2 2 PRO CA C 13 64.811 0.400 . 1 . . . A 2 PRO CA . 26045 1 16 . 1 1 2 2 PRO CB C 13 32.260 0.400 . 1 . . . A 2 PRO CB . 26045 1 17 . 1 1 2 2 PRO CG C 13 27.742 0.400 . 1 . . . A 2 PRO CG . 26045 1 18 . 1 1 2 2 PRO CD C 13 50.708 0.400 . 1 . . . A 2 PRO CD . 26045 1 19 . 1 1 3 3 CYS H H 1 9.130 0.030 . 1 . . . A 3 CYS H . 26045 1 20 . 1 1 3 3 CYS HA H 1 4.510 0.030 . 1 . . . A 3 CYS HA . 26045 1 21 . 1 1 3 3 CYS HB2 H 1 3.188 0.030 . 2 . . . A 3 CYS HB2 . 26045 1 22 . 1 1 3 3 CYS HB3 H 1 3.188 0.030 . 2 . . . A 3 CYS HB3 . 26045 1 23 . 1 1 3 3 CYS C C 13 176.295 0.400 . 1 . . . A 3 CYS C . 26045 1 24 . 1 1 3 3 CYS CA C 13 57.465 0.400 . 1 . . . A 3 CYS CA . 26045 1 25 . 1 1 3 3 CYS CB C 13 39.971 0.400 . 1 . . . A 3 CYS CB . 26045 1 26 . 1 1 3 3 CYS N N 15 117.098 0.400 . 1 . . . A 3 CYS N . 26045 1 27 . 1 1 4 4 GLU H H 1 8.177 0.030 . 1 . . . A 4 GLU H . 26045 1 28 . 1 1 4 4 GLU HA H 1 4.074 0.030 . 1 . . . A 4 GLU HA . 26045 1 29 . 1 1 4 4 GLU HB2 H 1 2.113 0.030 . 2 . . . A 4 GLU HB2 . 26045 1 30 . 1 1 4 4 GLU HB3 H 1 2.113 0.030 . 2 . . . A 4 GLU HB3 . 26045 1 31 . 1 1 4 4 GLU HG2 H 1 2.318 0.030 . 2 . . . A 4 GLU HG2 . 26045 1 32 . 1 1 4 4 GLU HG3 H 1 2.364 0.030 . 2 . . . A 4 GLU HG3 . 26045 1 33 . 1 1 4 4 GLU C C 13 178.196 0.400 . 1 . . . A 4 GLU C . 26045 1 34 . 1 1 4 4 GLU CA C 13 59.542 0.400 . 1 . . . A 4 GLU CA . 26045 1 35 . 1 1 4 4 GLU CG C 13 36.471 0.400 . 1 . . . A 4 GLU CG . 26045 1 36 . 1 1 4 4 GLU N N 15 121.091 0.400 . 1 . . . A 4 GLU N . 26045 1 37 . 1 1 5 5 ASP H H 1 8.064 0.030 . 1 . . . A 5 ASP H . 26045 1 38 . 1 1 5 5 ASP HA H 1 4.461 0.030 . 1 . . . A 5 ASP HA . 26045 1 39 . 1 1 5 5 ASP HB2 H 1 2.715 0.030 . 2 . . . A 5 ASP HB2 . 26045 1 40 . 1 1 5 5 ASP HB3 H 1 2.715 0.030 . 2 . . . A 5 ASP HB3 . 26045 1 41 . 1 1 5 5 ASP C C 13 178.273 0.400 . 1 . . . A 5 ASP C . 26045 1 42 . 1 1 5 5 ASP CA C 13 56.425 0.400 . 1 . . . A 5 ASP CA . 26045 1 43 . 1 1 5 5 ASP CB C 13 40.172 0.400 . 1 . . . A 5 ASP CB . 26045 1 44 . 1 1 5 5 ASP N N 15 119.768 0.400 . 1 . . . A 5 ASP N . 26045 1 45 . 1 1 6 6 LEU H H 1 7.785 0.030 . 1 . . . A 6 LEU H . 26045 1 46 . 1 1 6 6 LEU HA H 1 4.028 0.030 . 1 . . . A 6 LEU HA . 26045 1 47 . 1 1 6 6 LEU HB2 H 1 1.730 0.030 . 1 . . . A 6 LEU HB2 . 26045 1 48 . 1 1 6 6 LEU HB3 H 1 1.810 0.030 . 1 . . . A 6 LEU HB3 . 26045 1 49 . 1 1 6 6 LEU HG H 1 1.561 0.030 . 1 . . . A 6 LEU HG . 26045 1 50 . 1 1 6 6 LEU HD11 H 1 0.877 0.030 . 2 . . . A 6 LEU HD11 . 26045 1 51 . 1 1 6 6 LEU HD12 H 1 0.877 0.030 . 2 . . . A 6 LEU HD12 . 26045 1 52 . 1 1 6 6 LEU HD13 H 1 0.877 0.030 . 2 . . . A 6 LEU HD13 . 26045 1 53 . 1 1 6 6 LEU HD21 H 1 0.911 0.030 . 2 . . . A 6 LEU HD21 . 26045 1 54 . 1 1 6 6 LEU HD22 H 1 0.911 0.030 . 2 . . . A 6 LEU HD22 . 26045 1 55 . 1 1 6 6 LEU HD23 H 1 0.911 0.030 . 2 . . . A 6 LEU HD23 . 26045 1 56 . 1 1 6 6 LEU C C 13 177.811 0.400 . 1 . . . A 6 LEU C . 26045 1 57 . 1 1 6 6 LEU CA C 13 57.926 0.400 . 1 . . . A 6 LEU CA . 26045 1 58 . 1 1 6 6 LEU CB C 13 41.879 0.400 . 1 . . . A 6 LEU CB . 26045 1 59 . 1 1 6 6 LEU CG C 13 27.095 0.400 . 1 . . . A 6 LEU CG . 26045 1 60 . 1 1 6 6 LEU CD2 C 13 24.125 0.400 . 1 . . . A 6 LEU CD2 . 26045 1 61 . 1 1 6 6 LEU N N 15 121.053 0.400 . 1 . . . A 6 LEU N . 26045 1 62 . 1 1 7 7 LYS H H 1 7.995 0.030 . 1 . . . A 7 LYS H . 26045 1 63 . 1 1 7 7 LYS HA H 1 3.795 0.030 . 1 . . . A 7 LYS HA . 26045 1 64 . 1 1 7 7 LYS HB2 H 1 1.915 0.030 . 2 . . . A 7 LYS HB2 . 26045 1 65 . 1 1 7 7 LYS HB3 H 1 1.915 0.030 . 2 . . . A 7 LYS HB3 . 26045 1 66 . 1 1 7 7 LYS HG2 H 1 1.362 0.030 . 2 . . . A 7 LYS HG2 . 26045 1 67 . 1 1 7 7 LYS HG3 H 1 1.566 0.030 . 2 . . . A 7 LYS HG3 . 26045 1 68 . 1 1 7 7 LYS HD2 H 1 1.691 0.030 . 2 . . . A 7 LYS HD2 . 26045 1 69 . 1 1 7 7 LYS HD3 H 1 1.691 0.030 . 2 . . . A 7 LYS HD3 . 26045 1 70 . 1 1 7 7 LYS HE2 H 1 2.942 0.030 . 2 . . . A 7 LYS HE2 . 26045 1 71 . 1 1 7 7 LYS HE3 H 1 2.942 0.030 . 2 . . . A 7 LYS HE3 . 26045 1 72 . 1 1 7 7 LYS C C 13 178.710 0.400 . 1 . . . A 7 LYS C . 26045 1 73 . 1 1 7 7 LYS CA C 13 60.304 0.400 . 1 . . . A 7 LYS CA . 26045 1 74 . 1 1 7 7 LYS CB C 13 32.284 0.400 . 1 . . . A 7 LYS CB . 26045 1 75 . 1 1 7 7 LYS CG C 13 25.231 0.400 . 1 . . . A 7 LYS CG . 26045 1 76 . 1 1 7 7 LYS CE C 13 41.846 0.400 . 1 . . . A 7 LYS CE . 26045 1 77 . 1 1 7 7 LYS N N 15 117.877 0.400 . 1 . . . A 7 LYS N . 26045 1 78 . 1 1 8 8 GLU H H 1 7.760 0.030 . 1 . . . A 8 GLU H . 26045 1 79 . 1 1 8 8 GLU HA H 1 4.097 0.030 . 1 . . . A 8 GLU HA . 26045 1 80 . 1 1 8 8 GLU HB2 H 1 2.112 0.030 . 2 . . . A 8 GLU HB2 . 26045 1 81 . 1 1 8 8 GLU HB3 H 1 2.112 0.030 . 2 . . . A 8 GLU HB3 . 26045 1 82 . 1 1 8 8 GLU HG2 H 1 2.369 0.030 . 2 . . . A 8 GLU HG2 . 26045 1 83 . 1 1 8 8 GLU HG3 H 1 2.369 0.030 . 2 . . . A 8 GLU HG3 . 26045 1 84 . 1 1 8 8 GLU C C 13 178.916 0.400 . 1 . . . A 8 GLU C . 26045 1 85 . 1 1 8 8 GLU CA C 13 58.689 0.400 . 1 . . . A 8 GLU CA . 26045 1 86 . 1 1 8 8 GLU N N 15 117.399 0.400 . 1 . . . A 8 GLU N . 26045 1 87 . 1 1 9 9 ARG H H 1 7.996 0.030 . 1 . . . A 9 ARG H . 26045 1 88 . 1 1 9 9 ARG HA H 1 4.058 0.030 . 1 . . . A 9 ARG HA . 26045 1 89 . 1 1 9 9 ARG HB2 H 1 1.893 0.030 . 1 . . . A 9 ARG HB2 . 26045 1 90 . 1 1 9 9 ARG HB3 H 1 1.956 0.030 . 1 . . . A 9 ARG HB3 . 26045 1 91 . 1 1 9 9 ARG HG2 H 1 1.600 0.030 . 2 . . . A 9 ARG HG2 . 26045 1 92 . 1 1 9 9 ARG HG3 H 1 1.772 0.030 . 2 . . . A 9 ARG HG3 . 26045 1 93 . 1 1 9 9 ARG HD2 H 1 3.185 0.030 . 2 . . . A 9 ARG HD2 . 26045 1 94 . 1 1 9 9 ARG HD3 H 1 3.185 0.030 . 2 . . . A 9 ARG HD3 . 26045 1 95 . 1 1 9 9 ARG HE H 1 7.473 0.030 . 1 . . . A 9 ARG HE . 26045 1 96 . 1 1 9 9 ARG C C 13 178.967 0.400 . 1 . . . A 9 ARG C . 26045 1 97 . 1 1 9 9 ARG CA C 13 59.329 0.400 . 1 . . . A 9 ARG CA . 26045 1 98 . 1 1 9 9 ARG CB C 13 30.356 0.400 . 1 . . . A 9 ARG CB . 26045 1 99 . 1 1 9 9 ARG CG C 13 27.783 0.400 . 1 . . . A 9 ARG CG . 26045 1 100 . 1 1 9 9 ARG CD C 13 43.645 0.400 . 1 . . . A 9 ARG CD . 26045 1 101 . 1 1 9 9 ARG N N 15 120.362 0.400 . 1 . . . A 9 ARG N . 26045 1 102 . 1 1 9 9 ARG NE N 15 84.229 0.400 . 1 . . . A 9 ARG NE . 26045 1 103 . 1 1 10 10 LEU H H 1 8.341 0.030 . 1 . . . A 10 LEU H . 26045 1 104 . 1 1 10 10 LEU HA H 1 4.086 0.030 . 1 . . . A 10 LEU HA . 26045 1 105 . 1 1 10 10 LEU HB2 H 1 1.862 0.030 . 1 . . . A 10 LEU HB2 . 26045 1 106 . 1 1 10 10 LEU HB3 H 1 1.469 0.030 . 1 . . . A 10 LEU HB3 . 26045 1 107 . 1 1 10 10 LEU HG H 1 1.962 0.030 . 1 . . . A 10 LEU HG . 26045 1 108 . 1 1 10 10 LEU HD11 H 1 0.868 0.030 . 2 . . . A 10 LEU HD11 . 26045 1 109 . 1 1 10 10 LEU HD12 H 1 0.868 0.030 . 2 . . . A 10 LEU HD12 . 26045 1 110 . 1 1 10 10 LEU HD13 H 1 0.868 0.030 . 2 . . . A 10 LEU HD13 . 26045 1 111 . 1 1 10 10 LEU HD21 H 1 0.837 0.030 . 2 . . . A 10 LEU HD21 . 26045 1 112 . 1 1 10 10 LEU HD22 H 1 0.837 0.030 . 2 . . . A 10 LEU HD22 . 26045 1 113 . 1 1 10 10 LEU HD23 H 1 0.837 0.030 . 2 . . . A 10 LEU HD23 . 26045 1 114 . 1 1 10 10 LEU C C 13 177.566 0.400 . 1 . . . A 10 LEU C . 26045 1 115 . 1 1 10 10 LEU CA C 13 57.122 0.400 . 1 . . . A 10 LEU CA . 26045 1 116 . 1 1 10 10 LEU CB C 13 41.386 0.400 . 1 . . . A 10 LEU CB . 26045 1 117 . 1 1 10 10 LEU CG C 13 26.789 0.400 . 1 . . . A 10 LEU CG . 26045 1 118 . 1 1 10 10 LEU CD2 C 13 22.628 0.400 . 1 . . . A 10 LEU CD2 . 26045 1 119 . 1 1 10 10 LEU N N 15 117.258 0.400 . 1 . . . A 10 LEU N . 26045 1 120 . 1 1 11 11 LYS H H 1 7.707 0.030 . 1 . . . A 11 LYS H . 26045 1 121 . 1 1 11 11 LYS HA H 1 4.039 0.030 . 1 . . . A 11 LYS HA . 26045 1 122 . 1 1 11 11 LYS HB2 H 1 1.895 0.030 . 2 . . . A 11 LYS HB2 . 26045 1 123 . 1 1 11 11 LYS HB3 H 1 1.962 0.030 . 2 . . . A 11 LYS HB3 . 26045 1 124 . 1 1 11 11 LYS HG2 H 1 1.395 0.030 . 2 . . . A 11 LYS HG2 . 26045 1 125 . 1 1 11 11 LYS HG3 H 1 1.561 0.030 . 2 . . . A 11 LYS HG3 . 26045 1 126 . 1 1 11 11 LYS HD2 H 1 1.686 0.030 . 2 . . . A 11 LYS HD2 . 26045 1 127 . 1 1 11 11 LYS HD3 H 1 1.686 0.030 . 2 . . . A 11 LYS HD3 . 26045 1 128 . 1 1 11 11 LYS HE2 H 1 2.915 0.030 . 2 . . . A 11 LYS HE2 . 26045 1 129 . 1 1 11 11 LYS HE3 H 1 2.957 0.030 . 2 . . . A 11 LYS HE3 . 26045 1 130 . 1 1 11 11 LYS C C 13 178.736 0.400 . 1 . . . A 11 LYS C . 26045 1 131 . 1 1 11 11 LYS CA C 13 59.135 0.400 . 1 . . . A 11 LYS CA . 26045 1 132 . 1 1 11 11 LYS CE C 13 41.975 0.400 . 1 . . . A 11 LYS CE . 26045 1 133 . 1 1 11 11 LYS N N 15 119.034 0.400 . 1 . . . A 11 LYS N . 26045 1 134 . 1 1 12 12 LYS H H 1 7.709 0.030 . 1 . . . A 12 LYS H . 26045 1 135 . 1 1 12 12 LYS HA H 1 4.188 0.030 . 1 . . . A 12 LYS HA . 26045 1 136 . 1 1 12 12 LYS HB2 H 1 1.895 0.030 . 2 . . . A 12 LYS HB2 . 26045 1 137 . 1 1 12 12 LYS HB3 H 1 1.965 0.030 . 2 . . . A 12 LYS HB3 . 26045 1 138 . 1 1 12 12 LYS HG2 H 1 1.470 0.030 . 2 . . . A 12 LYS HG2 . 26045 1 139 . 1 1 12 12 LYS HG3 H 1 1.573 0.030 . 2 . . . A 12 LYS HG3 . 26045 1 140 . 1 1 12 12 LYS HD2 H 1 1.699 0.030 . 2 . . . A 12 LYS HD2 . 26045 1 141 . 1 1 12 12 LYS HD3 H 1 1.699 0.030 . 2 . . . A 12 LYS HD3 . 26045 1 142 . 1 1 12 12 LYS HE2 H 1 2.998 0.030 . 2 . . . A 12 LYS HE2 . 26045 1 143 . 1 1 12 12 LYS HE3 H 1 2.998 0.030 . 2 . . . A 12 LYS HE3 . 26045 1 144 . 1 1 12 12 LYS C C 13 178.960 0.400 . 1 . . . A 12 LYS C . 26045 1 145 . 1 1 12 12 LYS CA C 13 57.815 0.400 . 1 . . . A 12 LYS CA . 26045 1 146 . 1 1 12 12 LYS CG C 13 25.236 0.400 . 1 . . . A 12 LYS CG . 26045 1 147 . 1 1 12 12 LYS N N 15 119.013 0.400 . 1 . . . A 12 LYS N . 26045 1 148 . 1 1 13 13 LEU H H 1 7.705 0.030 . 1 . . . A 13 LEU H . 26045 1 149 . 1 1 13 13 LEU HA H 1 4.310 0.030 . 1 . . . A 13 LEU HA . 26045 1 150 . 1 1 13 13 LEU HB2 H 1 1.644 0.030 . 2 . . . A 13 LEU HB2 . 26045 1 151 . 1 1 13 13 LEU HB3 H 1 1.777 0.030 . 2 . . . A 13 LEU HB3 . 26045 1 152 . 1 1 13 13 LEU HG H 1 1.787 0.030 . 1 . . . A 13 LEU HG . 26045 1 153 . 1 1 13 13 LEU HD11 H 1 0.886 0.030 . 2 . . . A 13 LEU HD11 . 26045 1 154 . 1 1 13 13 LEU HD12 H 1 0.886 0.030 . 2 . . . A 13 LEU HD12 . 26045 1 155 . 1 1 13 13 LEU HD13 H 1 0.886 0.030 . 2 . . . A 13 LEU HD13 . 26045 1 156 . 1 1 13 13 LEU HD21 H 1 0.896 0.030 . 2 . . . A 13 LEU HD21 . 26045 1 157 . 1 1 13 13 LEU HD22 H 1 0.896 0.030 . 2 . . . A 13 LEU HD22 . 26045 1 158 . 1 1 13 13 LEU HD23 H 1 0.896 0.030 . 2 . . . A 13 LEU HD23 . 26045 1 159 . 1 1 13 13 LEU C C 13 177.606 0.400 . 1 . . . A 13 LEU C . 26045 1 160 . 1 1 13 13 LEU CA C 13 55.418 0.400 . 1 . . . A 13 LEU CA . 26045 1 161 . 1 1 13 13 LEU CB C 13 42.881 0.400 . 1 . . . A 13 LEU CB . 26045 1 162 . 1 1 13 13 LEU CG C 13 26.864 0.400 . 1 . . . A 13 LEU CG . 26045 1 163 . 1 1 13 13 LEU N N 15 119.078 0.400 . 1 . . . A 13 LEU N . 26045 1 164 . 1 1 14 14 GLY H H 1 8.107 0.030 . 1 . . . A 14 GLY H . 26045 1 165 . 1 1 14 14 GLY HA2 H 1 3.890 0.030 . 2 . . . A 14 GLY HA2 . 26045 1 166 . 1 1 14 14 GLY HA3 H 1 3.956 0.030 . 2 . . . A 14 GLY HA3 . 26045 1 167 . 1 1 14 14 GLY C C 13 174.367 0.400 . 1 . . . A 14 GLY C . 26045 1 168 . 1 1 14 14 GLY CA C 13 45.958 0.400 . 1 . . . A 14 GLY CA . 26045 1 169 . 1 1 14 14 GLY N N 15 108.342 0.400 . 1 . . . A 14 GLY N . 26045 1 170 . 1 1 15 15 MET H H 1 7.686 0.030 . 1 . . . A 15 MET H . 26045 1 171 . 1 1 15 15 MET HA H 1 4.512 0.030 . 1 . . . A 15 MET HA . 26045 1 172 . 1 1 15 15 MET HB2 H 1 1.949 0.030 . 2 . . . A 15 MET HB2 . 26045 1 173 . 1 1 15 15 MET HB3 H 1 2.005 0.030 . 2 . . . A 15 MET HB3 . 26045 1 174 . 1 1 15 15 MET HG2 H 1 2.555 0.030 . 2 . . . A 15 MET HG2 . 26045 1 175 . 1 1 15 15 MET HG3 H 1 2.590 0.030 . 2 . . . A 15 MET HG3 . 26045 1 176 . 1 1 15 15 MET HE1 H 1 2.029 0.030 . 1 . . . A 15 MET HE1 . 26045 1 177 . 1 1 15 15 MET HE2 H 1 2.029 0.030 . 1 . . . A 15 MET HE2 . 26045 1 178 . 1 1 15 15 MET HE3 H 1 2.029 0.030 . 1 . . . A 15 MET HE3 . 26045 1 179 . 1 1 15 15 MET C C 13 175.916 0.400 . 1 . . . A 15 MET C . 26045 1 180 . 1 1 15 15 MET CA C 13 55.467 0.400 . 1 . . . A 15 MET CA . 26045 1 181 . 1 1 15 15 MET CB C 13 34.560 0.400 . 1 . . . A 15 MET CB . 26045 1 182 . 1 1 15 15 MET CG C 13 32.078 0.400 . 1 . . . A 15 MET CG . 26045 1 183 . 1 1 15 15 MET CE C 13 17.759 0.400 . 1 . . . A 15 MET CE . 26045 1 184 . 1 1 15 15 MET N N 15 119.054 0.400 . 1 . . . A 15 MET N . 26045 1 185 . 1 1 16 16 SER H H 1 8.948 0.030 . 1 . . . A 16 SER H . 26045 1 186 . 1 1 16 16 SER HA H 1 4.400 0.030 . 1 . . . A 16 SER HA . 26045 1 187 . 1 1 16 16 SER HB2 H 1 4.127 0.030 . 1 . . . A 16 SER HB2 . 26045 1 188 . 1 1 16 16 SER HB3 H 1 4.366 0.030 . 1 . . . A 16 SER HB3 . 26045 1 189 . 1 1 16 16 SER C C 13 174.742 0.400 . 1 . . . A 16 SER C . 26045 1 190 . 1 1 16 16 SER CA C 13 57.747 0.400 . 1 . . . A 16 SER CA . 26045 1 191 . 1 1 16 16 SER CB C 13 64.785 0.400 . 1 . . . A 16 SER CB . 26045 1 192 . 1 1 16 16 SER N N 15 120.057 0.400 . 1 . . . A 16 SER N . 26045 1 193 . 1 1 17 17 GLU H H 1 9.035 0.030 . 1 . . . A 17 GLU H . 26045 1 194 . 1 1 17 17 GLU HA H 1 3.991 0.030 . 1 . . . A 17 GLU HA . 26045 1 195 . 1 1 17 17 GLU HB2 H 1 2.009 0.030 . 2 . . . A 17 GLU HB2 . 26045 1 196 . 1 1 17 17 GLU HB3 H 1 2.086 0.030 . 2 . . . A 17 GLU HB3 . 26045 1 197 . 1 1 17 17 GLU HG2 H 1 2.325 0.030 . 2 . . . A 17 GLU HG2 . 26045 1 198 . 1 1 17 17 GLU HG3 H 1 2.325 0.030 . 2 . . . A 17 GLU HG3 . 26045 1 199 . 1 1 17 17 GLU C C 13 178.556 0.400 . 1 . . . A 17 GLU C . 26045 1 200 . 1 1 17 17 GLU CA C 13 59.710 0.400 . 1 . . . A 17 GLU CA . 26045 1 201 . 1 1 17 17 GLU CB C 13 29.226 0.400 . 1 . . . A 17 GLU CB . 26045 1 202 . 1 1 17 17 GLU CG C 13 35.866 0.400 . 1 . . . A 17 GLU CG . 26045 1 203 . 1 1 17 17 GLU N N 15 123.142 0.400 . 1 . . . A 17 GLU N . 26045 1 204 . 1 1 18 18 GLU H H 1 8.790 0.030 . 1 . . . A 18 GLU H . 26045 1 205 . 1 1 18 18 GLU HA H 1 4.029 0.030 . 1 . . . A 18 GLU HA . 26045 1 206 . 1 1 18 18 GLU HB2 H 1 1.921 0.030 . 1 . . . A 18 GLU HB2 . 26045 1 207 . 1 1 18 18 GLU HB3 H 1 2.092 0.030 . 1 . . . A 18 GLU HB3 . 26045 1 208 . 1 1 18 18 GLU HG2 H 1 2.307 0.030 . 2 . . . A 18 GLU HG2 . 26045 1 209 . 1 1 18 18 GLU HG3 H 1 2.307 0.030 . 2 . . . A 18 GLU HG3 . 26045 1 210 . 1 1 18 18 GLU C C 13 179.173 0.400 . 1 . . . A 18 GLU C . 26045 1 211 . 1 1 18 18 GLU CA C 13 59.921 0.400 . 1 . . . A 18 GLU CA . 26045 1 212 . 1 1 18 18 GLU CB C 13 28.980 0.400 . 1 . . . A 18 GLU CB . 26045 1 213 . 1 1 18 18 GLU N N 15 118.705 0.400 . 1 . . . A 18 GLU N . 26045 1 214 . 1 1 19 19 CYS H H 1 7.875 0.030 . 1 . . . A 19 CYS H . 26045 1 215 . 1 1 19 19 CYS HA H 1 4.291 0.030 . 1 . . . A 19 CYS HA . 26045 1 216 . 1 1 19 19 CYS HB2 H 1 3.125 0.030 . 1 . . . A 19 CYS HB2 . 26045 1 217 . 1 1 19 19 CYS HB3 H 1 3.308 0.030 . 1 . . . A 19 CYS HB3 . 26045 1 218 . 1 1 19 19 CYS C C 13 176.295 0.400 . 1 . . . A 19 CYS C . 26045 1 219 . 1 1 19 19 CYS CA C 13 59.285 0.400 . 1 . . . A 19 CYS CA . 26045 1 220 . 1 1 19 19 CYS CB C 13 40.375 0.400 . 1 . . . A 19 CYS CB . 26045 1 221 . 1 1 19 19 CYS N N 15 118.720 0.400 . 1 . . . A 19 CYS N . 26045 1 222 . 1 1 20 20 ARG H H 1 8.507 0.030 . 1 . . . A 20 ARG H . 26045 1 223 . 1 1 20 20 ARG HA H 1 3.854 0.030 . 1 . . . A 20 ARG HA . 26045 1 224 . 1 1 20 20 ARG HB2 H 1 1.904 0.030 . 2 . . . A 20 ARG HB2 . 26045 1 225 . 1 1 20 20 ARG HB3 H 1 1.904 0.030 . 2 . . . A 20 ARG HB3 . 26045 1 226 . 1 1 20 20 ARG HG2 H 1 1.541 0.030 . 2 . . . A 20 ARG HG2 . 26045 1 227 . 1 1 20 20 ARG HG3 H 1 1.704 0.030 . 2 . . . A 20 ARG HG3 . 26045 1 228 . 1 1 20 20 ARG HD2 H 1 3.119 0.030 . 2 . . . A 20 ARG HD2 . 26045 1 229 . 1 1 20 20 ARG HD3 H 1 3.228 0.030 . 2 . . . A 20 ARG HD3 . 26045 1 230 . 1 1 20 20 ARG HE H 1 7.387 0.030 . 1 . . . A 20 ARG HE . 26045 1 231 . 1 1 20 20 ARG C C 13 178.633 0.400 . 1 . . . A 20 ARG C . 26045 1 232 . 1 1 20 20 ARG CA C 13 60.628 0.400 . 1 . . . A 20 ARG CA . 26045 1 233 . 1 1 20 20 ARG CB C 13 29.851 0.400 . 1 . . . A 20 ARG CB . 26045 1 234 . 1 1 20 20 ARG CG C 13 28.359 0.400 . 1 . . . A 20 ARG CG . 26045 1 235 . 1 1 20 20 ARG CD C 13 43.365 0.400 . 1 . . . A 20 ARG CD . 26045 1 236 . 1 1 20 20 ARG N N 15 120.027 0.400 . 1 . . . A 20 ARG N . 26045 1 237 . 1 1 20 20 ARG NE N 15 83.255 0.400 . 1 . . . A 20 ARG NE . 26045 1 238 . 1 1 21 21 GLN H H 1 8.379 0.030 . 1 . . . A 21 GLN H . 26045 1 239 . 1 1 21 21 GLN HA H 1 4.024 0.030 . 1 . . . A 21 GLN HA . 26045 1 240 . 1 1 21 21 GLN HB2 H 1 2.170 0.030 . 1 . . . A 21 GLN HB2 . 26045 1 241 . 1 1 21 21 GLN HB3 H 1 2.109 0.030 . 1 . . . A 21 GLN HB3 . 26045 1 242 . 1 1 21 21 GLN HG2 H 1 2.422 0.030 . 2 . . . A 21 GLN HG2 . 26045 1 243 . 1 1 21 21 GLN HG3 H 1 2.605 0.030 . 2 . . . A 21 GLN HG3 . 26045 1 244 . 1 1 21 21 GLN HE21 H 1 7.576 0.030 . 1 . . . A 21 GLN HE21 . 26045 1 245 . 1 1 21 21 GLN HE22 H 1 6.810 0.030 . 1 . . . A 21 GLN HE22 . 26045 1 246 . 1 1 21 21 GLN C C 13 179.122 0.400 . 1 . . . A 21 GLN C . 26045 1 247 . 1 1 21 21 GLN CA C 13 59.044 0.400 . 1 . . . A 21 GLN CA . 26045 1 248 . 1 1 21 21 GLN CB C 13 28.281 0.400 . 1 . . . A 21 GLN CB . 26045 1 249 . 1 1 21 21 GLN CG C 13 34.138 0.400 . 1 . . . A 21 GLN CG . 26045 1 250 . 1 1 21 21 GLN N N 15 117.558 0.400 . 1 . . . A 21 GLN N . 26045 1 251 . 1 1 21 21 GLN NE2 N 15 111.586 0.400 . 1 . . . A 21 GLN NE2 . 26045 1 252 . 1 1 22 22 ARG H H 1 7.859 0.030 . 1 . . . A 22 ARG H . 26045 1 253 . 1 1 22 22 ARG HA H 1 4.059 0.030 . 1 . . . A 22 ARG HA . 26045 1 254 . 1 1 22 22 ARG HB2 H 1 1.957 0.030 . 1 . . . A 22 ARG HB2 . 26045 1 255 . 1 1 22 22 ARG HB3 H 1 2.011 0.030 . 1 . . . A 22 ARG HB3 . 26045 1 256 . 1 1 22 22 ARG HG2 H 1 1.641 0.030 . 2 . . . A 22 ARG HG2 . 26045 1 257 . 1 1 22 22 ARG HG3 H 1 1.878 0.030 . 2 . . . A 22 ARG HG3 . 26045 1 258 . 1 1 22 22 ARG HD2 H 1 3.187 0.030 . 2 . . . A 22 ARG HD2 . 26045 1 259 . 1 1 22 22 ARG HD3 H 1 3.219 0.030 . 2 . . . A 22 ARG HD3 . 26045 1 260 . 1 1 22 22 ARG HE H 1 7.459 0.030 . 1 . . . A 22 ARG HE . 26045 1 261 . 1 1 22 22 ARG C C 13 178.967 0.400 . 1 . . . A 22 ARG C . 26045 1 262 . 1 1 22 22 ARG CA C 13 59.416 0.400 . 1 . . . A 22 ARG CA . 26045 1 263 . 1 1 22 22 ARG CG C 13 27.655 0.400 . 1 . . . A 22 ARG CG . 26045 1 264 . 1 1 22 22 ARG CD C 13 43.845 0.400 . 1 . . . A 22 ARG CD . 26045 1 265 . 1 1 22 22 ARG N N 15 120.355 0.400 . 1 . . . A 22 ARG N . 26045 1 266 . 1 1 22 22 ARG NE N 15 84.466 0.400 . 1 . . . A 22 ARG NE . 26045 1 267 . 1 1 23 23 LEU H H 1 8.332 0.030 . 1 . . . A 23 LEU H . 26045 1 268 . 1 1 23 23 LEU HA H 1 4.048 0.030 . 1 . . . A 23 LEU HA . 26045 1 269 . 1 1 23 23 LEU HB2 H 1 1.569 0.030 . 1 . . . A 23 LEU HB2 . 26045 1 270 . 1 1 23 23 LEU HB3 H 1 1.760 0.030 . 1 . . . A 23 LEU HB3 . 26045 1 271 . 1 1 23 23 LEU HG H 1 1.826 0.030 . 1 . . . A 23 LEU HG . 26045 1 272 . 1 1 23 23 LEU HD11 H 1 0.844 0.030 . 2 . . . A 23 LEU HD11 . 26045 1 273 . 1 1 23 23 LEU HD12 H 1 0.844 0.030 . 2 . . . A 23 LEU HD12 . 26045 1 274 . 1 1 23 23 LEU HD13 H 1 0.844 0.030 . 2 . . . A 23 LEU HD13 . 26045 1 275 . 1 1 23 23 LEU HD21 H 1 0.872 0.030 . 2 . . . A 23 LEU HD21 . 26045 1 276 . 1 1 23 23 LEU HD22 H 1 0.872 0.030 . 2 . . . A 23 LEU HD22 . 26045 1 277 . 1 1 23 23 LEU HD23 H 1 0.872 0.030 . 2 . . . A 23 LEU HD23 . 26045 1 278 . 1 1 23 23 LEU C C 13 178.890 0.400 . 1 . . . A 23 LEU C . 26045 1 279 . 1 1 23 23 LEU CA C 13 58.018 0.400 . 1 . . . A 23 LEU CA . 26045 1 280 . 1 1 23 23 LEU CB C 13 41.428 0.400 . 1 . . . A 23 LEU CB . 26045 1 281 . 1 1 23 23 LEU CD1 C 13 24.467 0.400 . 1 . . . A 23 LEU CD1 . 26045 1 282 . 1 1 23 23 LEU N N 15 120.539 0.400 . 1 . . . A 23 LEU N . 26045 1 283 . 1 1 24 24 GLU H H 1 8.296 0.030 . 1 . . . A 24 GLU H . 26045 1 284 . 1 1 24 24 GLU HA H 1 3.858 0.030 . 1 . . . A 24 GLU HA . 26045 1 285 . 1 1 24 24 GLU HB2 H 1 2.096 0.030 . 2 . . . A 24 GLU HB2 . 26045 1 286 . 1 1 24 24 GLU HB3 H 1 2.096 0.030 . 2 . . . A 24 GLU HB3 . 26045 1 287 . 1 1 24 24 GLU HG2 H 1 2.195 0.030 . 2 . . . A 24 GLU HG2 . 26045 1 288 . 1 1 24 24 GLU HG3 H 1 2.371 0.030 . 2 . . . A 24 GLU HG3 . 26045 1 289 . 1 1 24 24 GLU C C 13 178.762 0.400 . 1 . . . A 24 GLU C . 26045 1 290 . 1 1 24 24 GLU CA C 13 59.962 0.400 . 1 . . . A 24 GLU CA . 26045 1 291 . 1 1 24 24 GLU CG C 13 36.488 0.400 . 1 . . . A 24 GLU CG . 26045 1 292 . 1 1 24 24 GLU N N 15 119.377 0.400 . 1 . . . A 24 GLU N . 26045 1 293 . 1 1 25 25 LYS H H 1 7.637 0.030 . 1 . . . A 25 LYS H . 26045 1 294 . 1 1 25 25 LYS HA H 1 4.054 0.030 . 1 . . . A 25 LYS HA . 26045 1 295 . 1 1 25 25 LYS HB2 H 1 1.896 0.030 . 2 . . . A 25 LYS HB2 . 26045 1 296 . 1 1 25 25 LYS HB3 H 1 1.960 0.030 . 2 . . . A 25 LYS HB3 . 26045 1 297 . 1 1 25 25 LYS HG2 H 1 1.369 0.030 . 2 . . . A 25 LYS HG2 . 26045 1 298 . 1 1 25 25 LYS HG3 H 1 1.502 0.030 . 2 . . . A 25 LYS HG3 . 26045 1 299 . 1 1 25 25 LYS HD2 H 1 1.665 0.030 . 2 . . . A 25 LYS HD2 . 26045 1 300 . 1 1 25 25 LYS HD3 H 1 1.665 0.030 . 2 . . . A 25 LYS HD3 . 26045 1 301 . 1 1 25 25 LYS HE2 H 1 2.983 0.030 . 2 . . . A 25 LYS HE2 . 26045 1 302 . 1 1 25 25 LYS HE3 H 1 2.983 0.030 . 2 . . . A 25 LYS HE3 . 26045 1 303 . 1 1 25 25 LYS C C 13 178.402 0.400 . 1 . . . A 25 LYS C . 26045 1 304 . 1 1 25 25 LYS CA C 13 59.370 0.400 . 1 . . . A 25 LYS CA . 26045 1 305 . 1 1 25 25 LYS CB C 13 32.595 0.400 . 1 . . . A 25 LYS CB . 26045 1 306 . 1 1 25 25 LYS CG C 13 25.017 0.400 . 1 . . . A 25 LYS CG . 26045 1 307 . 1 1 25 25 LYS N N 15 118.971 0.400 . 1 . . . A 25 LYS N . 26045 1 308 . 1 1 26 26 MET H H 1 7.953 0.030 . 1 . . . A 26 MET H . 26045 1 309 . 1 1 26 26 MET HA H 1 4.199 0.030 . 1 . . . A 26 MET HA . 26045 1 310 . 1 1 26 26 MET HB2 H 1 2.091 0.030 . 2 . . . A 26 MET HB2 . 26045 1 311 . 1 1 26 26 MET HB3 H 1 2.130 0.030 . 2 . . . A 26 MET HB3 . 26045 1 312 . 1 1 26 26 MET HG2 H 1 2.561 0.030 . 2 . . . A 26 MET HG2 . 26045 1 313 . 1 1 26 26 MET HG3 H 1 2.696 0.030 . 2 . . . A 26 MET HG3 . 26045 1 314 . 1 1 26 26 MET HE1 H 1 2.042 0.030 . 1 . . . A 26 MET HE1 . 26045 1 315 . 1 1 26 26 MET HE2 H 1 2.042 0.030 . 1 . . . A 26 MET HE2 . 26045 1 316 . 1 1 26 26 MET HE3 H 1 2.042 0.030 . 1 . . . A 26 MET HE3 . 26045 1 317 . 1 1 26 26 MET C C 13 178.222 0.400 . 1 . . . A 26 MET C . 26045 1 318 . 1 1 26 26 MET CA C 13 58.414 0.400 . 1 . . . A 26 MET CA . 26045 1 319 . 1 1 26 26 MET CB C 13 33.182 0.400 . 1 . . . A 26 MET CB . 26045 1 320 . 1 1 26 26 MET CG C 13 32.228 0.400 . 1 . . . A 26 MET CG . 26045 1 321 . 1 1 26 26 MET CE C 13 17.308 0.400 . 1 . . . A 26 MET CE . 26045 1 322 . 1 1 26 26 MET N N 15 117.688 0.400 . 1 . . . A 26 MET N . 26045 1 323 . 1 1 27 27 CYS H H 1 8.264 0.030 . 1 . . . A 27 CYS H . 26045 1 324 . 1 1 27 27 CYS HA H 1 4.292 0.030 . 1 . . . A 27 CYS HA . 26045 1 325 . 1 1 27 27 CYS HB2 H 1 3.052 0.030 . 1 . . . A 27 CYS HB2 . 26045 1 326 . 1 1 27 27 CYS HB3 H 1 3.287 0.030 . 1 . . . A 27 CYS HB3 . 26045 1 327 . 1 1 27 27 CYS C C 13 176.218 0.400 . 1 . . . A 27 CYS C . 26045 1 328 . 1 1 27 27 CYS CA C 13 59.277 0.400 . 1 . . . A 27 CYS CA . 26045 1 329 . 1 1 27 27 CYS CB C 13 40.302 0.400 . 1 . . . A 27 CYS CB . 26045 1 330 . 1 1 27 27 CYS N N 15 117.669 0.400 . 1 . . . A 27 CYS N . 26045 1 331 . 1 1 28 28 LYS H H 1 7.983 0.030 . 1 . . . A 28 LYS H . 26045 1 332 . 1 1 28 28 LYS HA H 1 4.184 0.030 . 1 . . . A 28 LYS HA . 26045 1 333 . 1 1 28 28 LYS HB2 H 1 1.958 0.030 . 2 . . . A 28 LYS HB2 . 26045 1 334 . 1 1 28 28 LYS HB3 H 1 1.958 0.030 . 2 . . . A 28 LYS HB3 . 26045 1 335 . 1 1 28 28 LYS HG2 H 1 1.457 0.030 . 2 . . . A 28 LYS HG2 . 26045 1 336 . 1 1 28 28 LYS HG3 H 1 1.604 0.030 . 2 . . . A 28 LYS HG3 . 26045 1 337 . 1 1 28 28 LYS HD2 H 1 1.692 0.030 . 2 . . . A 28 LYS HD2 . 26045 1 338 . 1 1 28 28 LYS HD3 H 1 1.692 0.030 . 2 . . . A 28 LYS HD3 . 26045 1 339 . 1 1 28 28 LYS HE2 H 1 2.980 0.030 . 2 . . . A 28 LYS HE2 . 26045 1 340 . 1 1 28 28 LYS HE3 H 1 2.980 0.030 . 2 . . . A 28 LYS HE3 . 26045 1 341 . 1 1 28 28 LYS C C 13 177.862 0.400 . 1 . . . A 28 LYS C . 26045 1 342 . 1 1 28 28 LYS CA C 13 58.415 0.400 . 1 . . . A 28 LYS CA . 26045 1 343 . 1 1 28 28 LYS CB C 13 33.096 0.400 . 1 . . . A 28 LYS CB . 26045 1 344 . 1 1 28 28 LYS CG C 13 25.412 0.400 . 1 . . . A 28 LYS CG . 26045 1 345 . 1 1 28 28 LYS N N 15 120.893 0.400 . 1 . . . A 28 LYS N . 26045 1 346 . 1 1 29 29 GLU H H 1 8.110 0.030 . 1 . . . A 29 GLU H . 26045 1 347 . 1 1 29 29 GLU HA H 1 4.364 0.030 . 1 . . . A 29 GLU HA . 26045 1 348 . 1 1 29 29 GLU HB2 H 1 2.016 0.030 . 2 . . . A 29 GLU HB2 . 26045 1 349 . 1 1 29 29 GLU HB3 H 1 2.147 0.030 . 2 . . . A 29 GLU HB3 . 26045 1 350 . 1 1 29 29 GLU HG2 H 1 2.303 0.030 . 2 . . . A 29 GLU HG2 . 26045 1 351 . 1 1 29 29 GLU HG3 H 1 2.413 0.030 . 2 . . . A 29 GLU HG3 . 26045 1 352 . 1 1 29 29 GLU C C 13 176.937 0.400 . 1 . . . A 29 GLU C . 26045 1 353 . 1 1 29 29 GLU CA C 13 56.783 0.400 . 1 . . . A 29 GLU CA . 26045 1 354 . 1 1 29 29 GLU CB C 13 30.340 0.400 . 1 . . . A 29 GLU CB . 26045 1 355 . 1 1 29 29 GLU CG C 13 36.237 0.400 . 1 . . . A 29 GLU CG . 26045 1 356 . 1 1 29 29 GLU N N 15 117.203 0.400 . 1 . . . A 29 GLU N . 26045 1 357 . 1 1 30 30 GLY H H 1 7.990 0.030 . 1 . . . A 30 GLY H . 26045 1 358 . 1 1 30 30 GLY HA2 H 1 4.142 0.030 . 2 . . . A 30 GLY HA2 . 26045 1 359 . 1 1 30 30 GLY HA3 H 1 4.142 0.030 . 2 . . . A 30 GLY HA3 . 26045 1 360 . 1 1 30 30 GLY C C 13 174.162 0.400 . 1 . . . A 30 GLY C . 26045 1 361 . 1 1 30 30 GLY CA C 13 45.496 0.400 . 1 . . . A 30 GLY CA . 26045 1 362 . 1 1 30 30 GLY N N 15 109.260 0.400 . 1 . . . A 30 GLY N . 26045 1 363 . 1 1 31 31 THR H H 1 8.257 0.030 . 1 . . . A 31 THR H . 26045 1 364 . 1 1 31 31 THR HA H 1 4.594 0.030 . 1 . . . A 31 THR HA . 26045 1 365 . 1 1 31 31 THR HB H 1 4.430 0.030 . 1 . . . A 31 THR HB . 26045 1 366 . 1 1 31 31 THR HG21 H 1 1.247 0.030 . 1 . . . A 31 THR HG21 . 26045 1 367 . 1 1 31 31 THR HG22 H 1 1.247 0.030 . 1 . . . A 31 THR HG22 . 26045 1 368 . 1 1 31 31 THR HG23 H 1 1.247 0.030 . 1 . . . A 31 THR HG23 . 26045 1 369 . 1 1 31 31 THR C C 13 175.035 0.400 . 1 . . . A 31 THR C . 26045 1 370 . 1 1 31 31 THR CA C 13 60.974 0.400 . 1 . . . A 31 THR CA . 26045 1 371 . 1 1 31 31 THR CB C 13 70.524 0.400 . 1 . . . A 31 THR CB . 26045 1 372 . 1 1 31 31 THR CG2 C 13 21.630 0.400 . 1 . . . A 31 THR CG2 . 26045 1 373 . 1 1 31 31 THR N N 15 113.648 0.400 . 1 . . . A 31 THR N . 26045 1 374 . 1 1 32 32 SER H H 1 8.633 0.030 . 1 . . . A 32 SER H . 26045 1 375 . 1 1 32 32 SER HA H 1 4.360 0.030 . 1 . . . A 32 SER HA . 26045 1 376 . 1 1 32 32 SER HB2 H 1 3.884 0.030 . 2 . . . A 32 SER HB2 . 26045 1 377 . 1 1 32 32 SER HB3 H 1 3.950 0.030 . 2 . . . A 32 SER HB3 . 26045 1 378 . 1 1 32 32 SER C C 13 175.472 0.400 . 1 . . . A 32 SER C . 26045 1 379 . 1 1 32 32 SER CA C 13 59.857 0.400 . 1 . . . A 32 SER CA . 26045 1 380 . 1 1 32 32 SER CB C 13 63.485 0.400 . 1 . . . A 32 SER CB . 26045 1 381 . 1 1 32 32 SER N N 15 118.066 0.400 . 1 . . . A 32 SER N . 26045 1 382 . 1 1 33 33 GLU H H 1 8.532 0.030 . 1 . . . A 33 GLU H . 26045 1 383 . 1 1 33 33 GLU HA H 1 4.209 0.030 . 1 . . . A 33 GLU HA . 26045 1 384 . 1 1 33 33 GLU HB2 H 1 1.995 0.030 . 2 . . . A 33 GLU HB2 . 26045 1 385 . 1 1 33 33 GLU HB3 H 1 1.995 0.030 . 2 . . . A 33 GLU HB3 . 26045 1 386 . 1 1 33 33 GLU HG2 H 1 2.309 0.030 . 2 . . . A 33 GLU HG2 . 26045 1 387 . 1 1 33 33 GLU HG3 H 1 2.309 0.030 . 2 . . . A 33 GLU HG3 . 26045 1 388 . 1 1 33 33 GLU C C 13 177.528 0.400 . 1 . . . A 33 GLU C . 26045 1 389 . 1 1 33 33 GLU CA C 13 58.406 0.400 . 1 . . . A 33 GLU CA . 26045 1 390 . 1 1 33 33 GLU CB C 13 29.788 0.400 . 1 . . . A 33 GLU CB . 26045 1 391 . 1 1 33 33 GLU N N 15 122.577 0.400 . 1 . . . A 33 GLU N . 26045 1 392 . 1 1 34 34 ASP H H 1 8.122 0.030 . 1 . . . A 34 ASP H . 26045 1 393 . 1 1 34 34 ASP HA H 1 4.487 0.030 . 1 . . . A 34 ASP HA . 26045 1 394 . 1 1 34 34 ASP HB2 H 1 2.716 0.030 . 2 . . . A 34 ASP HB2 . 26045 1 395 . 1 1 34 34 ASP HB3 H 1 2.716 0.030 . 2 . . . A 34 ASP HB3 . 26045 1 396 . 1 1 34 34 ASP C C 13 177.605 0.400 . 1 . . . A 34 ASP C . 26045 1 397 . 1 1 34 34 ASP CA C 13 55.826 0.400 . 1 . . . A 34 ASP CA . 26045 1 398 . 1 1 34 34 ASP CB C 13 40.979 0.400 . 1 . . . A 34 ASP CB . 26045 1 399 . 1 1 34 34 ASP N N 15 120.121 0.400 . 1 . . . A 34 ASP N . 26045 1 400 . 1 1 35 35 ALA H H 1 8.107 0.030 . 1 . . . A 35 ALA H . 26045 1 401 . 1 1 35 35 ALA HA H 1 4.009 0.030 . 1 . . . A 35 ALA HA . 26045 1 402 . 1 1 35 35 ALA HB1 H 1 1.405 0.030 . 1 . . . A 35 ALA HB1 . 26045 1 403 . 1 1 35 35 ALA HB2 H 1 1.405 0.030 . 1 . . . A 35 ALA HB2 . 26045 1 404 . 1 1 35 35 ALA HB3 H 1 1.405 0.030 . 1 . . . A 35 ALA HB3 . 26045 1 405 . 1 1 35 35 ALA C C 13 178.890 0.400 . 1 . . . A 35 ALA C . 26045 1 406 . 1 1 35 35 ALA CA C 13 55.190 0.400 . 1 . . . A 35 ALA CA . 26045 1 407 . 1 1 35 35 ALA CB C 13 18.819 0.400 . 1 . . . A 35 ALA CB . 26045 1 408 . 1 1 35 35 ALA N N 15 123.997 0.400 . 1 . . . A 35 ALA N . 26045 1 409 . 1 1 36 36 GLU H H 1 8.353 0.030 . 1 . . . A 36 GLU H . 26045 1 410 . 1 1 36 36 GLU HA H 1 3.917 0.030 . 1 . . . A 36 GLU HA . 26045 1 411 . 1 1 36 36 GLU HB2 H 1 2.077 0.030 . 2 . . . A 36 GLU HB2 . 26045 1 412 . 1 1 36 36 GLU HB3 H 1 2.077 0.030 . 2 . . . A 36 GLU HB3 . 26045 1 413 . 1 1 36 36 GLU HG2 H 1 2.270 0.030 . 2 . . . A 36 GLU HG2 . 26045 1 414 . 1 1 36 36 GLU HG3 H 1 2.316 0.030 . 2 . . . A 36 GLU HG3 . 26045 1 415 . 1 1 36 36 GLU C C 13 178.505 0.400 . 1 . . . A 36 GLU C . 26045 1 416 . 1 1 36 36 GLU CA C 13 59.356 0.400 . 1 . . . A 36 GLU CA . 26045 1 417 . 1 1 36 36 GLU CG C 13 36.309 0.400 . 1 . . . A 36 GLU CG . 26045 1 418 . 1 1 36 36 GLU N N 15 117.393 0.400 . 1 . . . A 36 GLU N . 26045 1 419 . 1 1 37 37 ARG H H 1 7.779 0.030 . 1 . . . A 37 ARG H . 26045 1 420 . 1 1 37 37 ARG HA H 1 4.030 0.030 . 1 . . . A 37 ARG HA . 26045 1 421 . 1 1 37 37 ARG HB2 H 1 1.892 0.030 . 2 . . . A 37 ARG HB2 . 26045 1 422 . 1 1 37 37 ARG HB3 H 1 1.892 0.030 . 2 . . . A 37 ARG HB3 . 26045 1 423 . 1 1 37 37 ARG HG2 H 1 1.601 0.030 . 2 . . . A 37 ARG HG2 . 26045 1 424 . 1 1 37 37 ARG HG3 H 1 1.721 0.030 . 2 . . . A 37 ARG HG3 . 26045 1 425 . 1 1 37 37 ARG HD2 H 1 3.221 0.030 . 2 . . . A 37 ARG HD2 . 26045 1 426 . 1 1 37 37 ARG HD3 H 1 3.221 0.030 . 2 . . . A 37 ARG HD3 . 26045 1 427 . 1 1 37 37 ARG HE H 1 7.372 0.030 . 1 . . . A 37 ARG HE . 26045 1 428 . 1 1 37 37 ARG C C 13 178.556 0.400 . 1 . . . A 37 ARG C . 26045 1 429 . 1 1 37 37 ARG CA C 13 58.705 0.400 . 1 . . . A 37 ARG CA . 26045 1 430 . 1 1 37 37 ARG CB C 13 30.225 0.400 . 1 . . . A 37 ARG CB . 26045 1 431 . 1 1 37 37 ARG CG C 13 27.780 0.400 . 1 . . . A 37 ARG CG . 26045 1 432 . 1 1 37 37 ARG N N 15 118.853 0.400 . 1 . . . A 37 ARG N . 26045 1 433 . 1 1 37 37 ARG NE N 15 84.344 0.400 . 1 . . . A 37 ARG NE . 26045 1 434 . 1 1 38 38 MET H H 1 7.960 0.030 . 1 . . . A 38 MET H . 26045 1 435 . 1 1 38 38 MET HA H 1 4.231 0.030 . 1 . . . A 38 MET HA . 26045 1 436 . 1 1 38 38 MET HB2 H 1 2.093 0.030 . 2 . . . A 38 MET HB2 . 26045 1 437 . 1 1 38 38 MET HB3 H 1 2.093 0.030 . 2 . . . A 38 MET HB3 . 26045 1 438 . 1 1 38 38 MET HG2 H 1 2.524 0.030 . 2 . . . A 38 MET HG2 . 26045 1 439 . 1 1 38 38 MET HG3 H 1 2.634 0.030 . 2 . . . A 38 MET HG3 . 26045 1 440 . 1 1 38 38 MET HE1 H 1 2.043 0.030 . 1 . . . A 38 MET HE1 . 26045 1 441 . 1 1 38 38 MET HE2 H 1 2.043 0.030 . 1 . . . A 38 MET HE2 . 26045 1 442 . 1 1 38 38 MET HE3 H 1 2.043 0.030 . 1 . . . A 38 MET HE3 . 26045 1 443 . 1 1 38 38 MET C C 13 177.811 0.400 . 1 . . . A 38 MET C . 26045 1 444 . 1 1 38 38 MET CA C 13 57.445 0.400 . 1 . . . A 38 MET CA . 26045 1 445 . 1 1 38 38 MET CB C 13 32.313 0.400 . 1 . . . A 38 MET CB . 26045 1 446 . 1 1 38 38 MET CG C 13 32.338 0.400 . 1 . . . A 38 MET CG . 26045 1 447 . 1 1 38 38 MET CE C 13 17.312 0.400 . 1 . . . A 38 MET CE . 26045 1 448 . 1 1 38 38 MET N N 15 118.299 0.400 . 1 . . . A 38 MET N . 26045 1 449 . 1 1 39 39 ALA H H 1 8.125 0.030 . 1 . . . A 39 ALA H . 26045 1 450 . 1 1 39 39 ALA HA H 1 4.063 0.030 . 1 . . . A 39 ALA HA . 26045 1 451 . 1 1 39 39 ALA HB1 H 1 1.432 0.030 . 1 . . . A 39 ALA HB1 . 26045 1 452 . 1 1 39 39 ALA HB2 H 1 1.432 0.030 . 1 . . . A 39 ALA HB2 . 26045 1 453 . 1 1 39 39 ALA HB3 H 1 1.432 0.030 . 1 . . . A 39 ALA HB3 . 26045 1 454 . 1 1 39 39 ALA C C 13 178.813 0.400 . 1 . . . A 39 ALA C . 26045 1 455 . 1 1 39 39 ALA CA C 13 54.480 0.400 . 1 . . . A 39 ALA CA . 26045 1 456 . 1 1 39 39 ALA CB C 13 18.610 0.400 . 1 . . . A 39 ALA CB . 26045 1 457 . 1 1 39 39 ALA N N 15 121.698 0.400 . 1 . . . A 39 ALA N . 26045 1 458 . 1 1 40 40 ARG H H 1 7.738 0.030 . 1 . . . A 40 ARG H . 26045 1 459 . 1 1 40 40 ARG HA H 1 4.174 0.030 . 1 . . . A 40 ARG HA . 26045 1 460 . 1 1 40 40 ARG HB2 H 1 1.874 0.030 . 2 . . . A 40 ARG HB2 . 26045 1 461 . 1 1 40 40 ARG HB3 H 1 1.874 0.030 . 2 . . . A 40 ARG HB3 . 26045 1 462 . 1 1 40 40 ARG HG2 H 1 1.679 0.030 . 2 . . . A 40 ARG HG2 . 26045 1 463 . 1 1 40 40 ARG HG3 H 1 1.765 0.030 . 2 . . . A 40 ARG HG3 . 26045 1 464 . 1 1 40 40 ARG HD2 H 1 3.206 0.030 . 2 . . . A 40 ARG HD2 . 26045 1 465 . 1 1 40 40 ARG HD3 H 1 3.206 0.030 . 2 . . . A 40 ARG HD3 . 26045 1 466 . 1 1 40 40 ARG HE H 1 7.382 0.030 . 1 . . . A 40 ARG HE . 26045 1 467 . 1 1 40 40 ARG C C 13 177.220 0.400 . 1 . . . A 40 ARG C . 26045 1 468 . 1 1 40 40 ARG CA C 13 57.811 0.400 . 1 . . . A 40 ARG CA . 26045 1 469 . 1 1 40 40 ARG CB C 13 30.121 0.400 . 1 . . . A 40 ARG CB . 26045 1 470 . 1 1 40 40 ARG CG C 13 27.415 0.400 . 1 . . . A 40 ARG CG . 26045 1 471 . 1 1 40 40 ARG N N 15 116.657 0.400 . 1 . . . A 40 ARG N . 26045 1 472 . 1 1 40 40 ARG NE N 15 84.759 0.400 . 1 . . . A 40 ARG NE . 26045 1 473 . 1 1 41 41 ASN H H 1 7.896 0.030 . 1 . . . A 41 ASN H . 26045 1 474 . 1 1 41 41 ASN HA H 1 4.734 0.030 . 1 . . . A 41 ASN HA . 26045 1 475 . 1 1 41 41 ASN HB2 H 1 2.782 0.030 . 2 . . . A 41 ASN HB2 . 26045 1 476 . 1 1 41 41 ASN HB3 H 1 2.908 0.030 . 2 . . . A 41 ASN HB3 . 26045 1 477 . 1 1 41 41 ASN HD21 H 1 7.531 0.030 . 1 . . . A 41 ASN HD21 . 26045 1 478 . 1 1 41 41 ASN HD22 H 1 6.951 0.030 . 1 . . . A 41 ASN HD22 . 26045 1 479 . 1 1 41 41 ASN C C 13 175.369 0.400 . 1 . . . A 41 ASN C . 26045 1 480 . 1 1 41 41 ASN CA C 13 53.837 0.400 . 1 . . . A 41 ASN CA . 26045 1 481 . 1 1 41 41 ASN CB C 13 39.136 0.400 . 1 . . . A 41 ASN CB . 26045 1 482 . 1 1 41 41 ASN N N 15 116.193 0.400 . 1 . . . A 41 ASN N . 26045 1 483 . 1 1 41 41 ASN ND2 N 15 112.585 0.400 . 1 . . . A 41 ASN ND2 . 26045 1 484 . 1 1 42 42 CYS H H 1 7.997 0.030 . 1 . . . A 42 CYS H . 26045 1 485 . 1 1 42 42 CYS HA H 1 4.563 0.030 . 1 . . . A 42 CYS HA . 26045 1 486 . 1 1 42 42 CYS HB2 H 1 3.225 0.030 . 2 . . . A 42 CYS HB2 . 26045 1 487 . 1 1 42 42 CYS HB3 H 1 3.334 0.030 . 2 . . . A 42 CYS HB3 . 26045 1 488 . 1 1 42 42 CYS C C 13 174.213 0.400 . 1 . . . A 42 CYS C . 26045 1 489 . 1 1 42 42 CYS CA C 13 57.045 0.400 . 1 . . . A 42 CYS CA . 26045 1 490 . 1 1 42 42 CYS CB C 13 41.719 0.400 . 1 . . . A 42 CYS CB . 26045 1 491 . 1 1 42 42 CYS N N 15 118.352 0.400 . 1 . . . A 42 CYS N . 26045 1 492 . 1 1 43 43 GLU H H 1 8.307 0.030 . 1 . . . A 43 GLU H . 26045 1 493 . 1 1 43 43 GLU HA H 1 4.397 0.030 . 1 . . . A 43 GLU HA . 26045 1 494 . 1 1 43 43 GLU HB2 H 1 2.159 0.030 . 1 . . . A 43 GLU HB2 . 26045 1 495 . 1 1 43 43 GLU HB3 H 1 1.997 0.030 . 1 . . . A 43 GLU HB3 . 26045 1 496 . 1 1 43 43 GLU HG2 H 1 2.306 0.030 . 2 . . . A 43 GLU HG2 . 26045 1 497 . 1 1 43 43 GLU HG3 H 1 2.368 0.030 . 2 . . . A 43 GLU HG3 . 26045 1 498 . 1 1 43 43 GLU C C 13 175.369 0.400 . 1 . . . A 43 GLU C . 26045 1 499 . 1 1 43 43 GLU CA C 13 56.708 0.400 . 1 . . . A 43 GLU CA . 26045 1 500 . 1 1 43 43 GLU N N 15 122.347 0.400 . 1 . . . A 43 GLU N . 26045 1 501 . 1 1 44 44 SER H H 1 7.886 0.030 . 1 . . . A 44 SER H . 26045 1 502 . 1 1 44 44 SER HA H 1 4.274 0.030 . 1 . . . A 44 SER HA . 26045 1 503 . 1 1 44 44 SER HB2 H 1 3.863 0.030 . 2 . . . A 44 SER HB2 . 26045 1 504 . 1 1 44 44 SER HB3 H 1 3.863 0.030 . 2 . . . A 44 SER HB3 . 26045 1 505 . 1 1 44 44 SER CA C 13 60.100 0.400 . 1 . . . A 44 SER CA . 26045 1 506 . 1 1 44 44 SER CB C 13 64.951 0.400 . 1 . . . A 44 SER CB . 26045 1 507 . 1 1 44 44 SER N N 15 121.711 0.400 . 1 . . . A 44 SER N . 26045 1 stop_ save_