################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36733 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36733 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36733 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36733 1 4 '3D HNCACB' 1 $sample_1 isotropic 36733 1 5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36733 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36733 1 7 '3D HNCO' 1 $sample_1 isotropic 36733 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET HA H 1 4.607 0.04 . 1 . . . . A 1 MET HA . 36733 1 2 . 1 . 1 3 3 MET HG2 H 1 2.606 0.04 . 2 . . . . A 1 MET HG2 . 36733 1 3 . 1 . 1 3 3 MET HG3 H 1 2.606 0.04 . 2 . . . . A 1 MET HG3 . 36733 1 4 . 1 . 1 3 3 MET C C 13 175.53 0.20 . 1 . . . . A 1 MET C . 36733 1 5 . 1 . 1 3 3 MET CA C 13 55.24 0.20 . 1 . . . . A 1 MET CA . 36733 1 6 . 1 . 1 3 3 MET CB C 13 32.79 0.20 . 1 . . . . A 1 MET CB . 36733 1 7 . 1 . 1 4 4 ALA H H 1 8.326 0.04 . 1 . . . . A 2 ALA H . 36733 1 8 . 1 . 1 4 4 ALA HA H 1 4.299 0.04 . 1 . . . . A 2 ALA HA . 36733 1 9 . 1 . 1 4 4 ALA HB1 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB1 . 36733 1 10 . 1 . 1 4 4 ALA HB2 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB2 . 36733 1 11 . 1 . 1 4 4 ALA HB3 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB3 . 36733 1 12 . 1 . 1 4 4 ALA C C 13 177.51 0.20 . 1 . . . . A 2 ALA C . 36733 1 13 . 1 . 1 4 4 ALA CA C 13 52.42 0.20 . 1 . . . . A 2 ALA CA . 36733 1 14 . 1 . 1 4 4 ALA CB C 13 18.88 0.20 . 1 . . . . A 2 ALA CB . 36733 1 15 . 1 . 1 4 4 ALA N N 15 125.479 0.20 . 1 . . . . A 2 ALA N . 36733 1 16 . 1 . 1 5 5 ARG HB2 H 1 1.815 0.04 . 2 . . . . A 3 ARG HB2 . 36733 1 17 . 1 . 1 5 5 ARG HB3 H 1 1.815 0.04 . 2 . . . . A 3 ARG HB3 . 36733 1 18 . 1 . 1 5 5 ARG HD2 H 1 3.196 0.04 . 2 . . . . A 3 ARG HD2 . 36733 1 19 . 1 . 1 5 5 ARG HD3 H 1 3.196 0.04 . 2 . . . . A 3 ARG HD3 . 36733 1 20 . 1 . 1 5 5 ARG HG2 H 1 1.753 0.04 . 2 . . . . A 3 ARG HG2 . 36733 1 21 . 1 . 1 5 5 ARG HG3 H 1 1.753 0.04 . 2 . . . . A 3 ARG HG3 . 36733 1 22 . 1 . 1 5 5 ARG C C 13 176.87 0.20 . 1 . . . . A 3 ARG C . 36733 1 23 . 1 . 1 5 5 ARG CA C 13 56.13 0.20 . 1 . . . . A 3 ARG CA . 36733 1 24 . 1 . 1 5 5 ARG CB C 13 30.73 0.20 . 1 . . . . A 3 ARG CB . 36733 1 25 . 1 . 1 5 5 ARG N N 15 120.389 0.20 . 1 . . . . A 3 ARG N . 36733 1 26 . 1 . 1 6 6 GLY H H 1 8.422 0.04 . 1 . . . . A 4 GLY H . 36733 1 27 . 1 . 1 6 6 GLY HA2 H 1 3.951 0.04 . 2 . . . . A 4 GLY HA2 . 36733 1 28 . 1 . 1 6 6 GLY HA3 H 1 3.951 0.04 . 2 . . . . A 4 GLY HA3 . 36733 1 29 . 1 . 1 6 6 GLY C C 13 173.9 0.20 . 1 . . . . A 4 GLY C . 36733 1 30 . 1 . 1 6 6 GLY CA C 13 45.22 0.20 . 1 . . . . A 4 GLY CA . 36733 1 31 . 1 . 1 6 6 GLY N N 15 109.627 0.20 . 1 . . . . A 4 GLY N . 36733 1 32 . 1 . 1 7 7 ASN H H 1 8.36 0.04 . 1 . . . . A 5 ASN H . 36733 1 33 . 1 . 1 7 7 ASN HA H 1 4.518 0.04 . 1 . . . . A 5 ASN HA . 36733 1 34 . 1 . 1 7 7 ASN HB2 H 1 2.771 0.04 . 2 . . . . A 5 ASN HB2 . 36733 1 35 . 1 . 1 7 7 ASN HB3 H 1 2.771 0.04 . 2 . . . . A 5 ASN HB3 . 36733 1 36 . 1 . 1 7 7 ASN C C 13 175.53 0.20 . 1 . . . . A 5 ASN C . 36733 1 37 . 1 . 1 7 7 ASN CA C 13 53.39 0.20 . 1 . . . . A 5 ASN CA . 36733 1 38 . 1 . 1 7 7 ASN CB C 13 38.69 0.20 . 1 . . . . A 5 ASN CB . 36733 1 39 . 1 . 1 7 7 ASN N N 15 118.876 0.20 . 1 . . . . A 5 ASN N . 36733 1 40 . 1 . 1 8 8 GLN H H 1 8.489 0.04 . 1 . . . . A 6 GLN H . 36733 1 41 . 1 . 1 8 8 GLN HA H 1 4.19 0.04 . 1 . . . . A 6 GLN HA . 36733 1 42 . 1 . 1 8 8 GLN HB2 H 1 2.09 0.04 . 2 . . . . A 6 GLN HB2 . 36733 1 43 . 1 . 1 8 8 GLN HB3 H 1 2.09 0.04 . 2 . . . . A 6 GLN HB3 . 36733 1 44 . 1 . 1 8 8 GLN HG2 H 1 2.4 0.04 . 2 . . . . A 6 GLN HG2 . 36733 1 45 . 1 . 1 8 8 GLN HG3 H 1 2.4 0.04 . 2 . . . . A 6 GLN HG3 . 36733 1 46 . 1 . 1 8 8 GLN C C 13 177.01 0.20 . 1 . . . . A 6 GLN C . 36733 1 47 . 1 . 1 8 8 GLN CA C 13 56.98 0.20 . 1 . . . . A 6 GLN CA . 36733 1 48 . 1 . 1 8 8 GLN CB C 13 28.8 0.20 . 1 . . . . A 6 GLN CB . 36733 1 49 . 1 . 1 8 8 GLN N N 15 120.847 0.20 . 1 . . . . A 6 GLN N . 36733 1 50 . 1 . 1 9 9 ARG H H 1 8.337 0.04 . 1 . . . . A 7 ARG H . 36733 1 51 . 1 . 1 9 9 ARG HA H 1 4.376 0.20 . 1 . . . . A 7 ARG HA . 36733 1 52 . 1 . 1 9 9 ARG HD2 H 1 3.169 0.04 . 2 . . . . A 7 ARG HD2 . 36733 1 53 . 1 . 1 9 9 ARG HD3 H 1 3.169 0.04 . 2 . . . . A 7 ARG HD3 . 36733 1 54 . 1 . 1 9 9 ARG C C 13 177.4 0.20 . 1 . . . . A 7 ARG C . 36733 1 55 . 1 . 1 9 9 ARG CA C 13 56.98 0.20 . 1 . . . . A 7 ARG CA . 36733 1 56 . 1 . 1 9 9 ARG CB C 13 32.72 0.20 . 1 . . . . A 7 ARG CB . 36733 1 57 . 1 . 1 9 9 ARG N N 15 121.432 0.20 . 1 . . . . A 7 ARG N . 36733 1 58 . 1 . 1 10 10 GLU H H 1 8.32 0.04 . 1 . . . . A 8 GLU H . 36733 1 59 . 1 . 1 10 10 GLU HA H 1 4.147 0.04 . 1 . . . . A 8 GLU HA . 36733 1 60 . 1 . 1 10 10 GLU HB2 H 1 2.068 0.04 . 2 . . . . A 8 GLU HB2 . 36733 1 61 . 1 . 1 10 10 GLU HB3 H 1 2.068 0.04 . 2 . . . . A 8 GLU HB3 . 36733 1 62 . 1 . 1 10 10 GLU HG2 H 1 2.33 0.04 . 2 . . . . A 8 GLU HG2 . 36733 1 63 . 1 . 1 10 10 GLU HG3 H 1 2.33 0.04 . 2 . . . . A 8 GLU HG3 . 36733 1 64 . 1 . 1 10 10 GLU C C 13 177.59 0.20 . 1 . . . . A 8 GLU C . 36733 1 65 . 1 . 1 10 10 GLU CA C 13 57 0.20 . 1 . . . . A 8 GLU CA . 36733 1 66 . 1 . 1 10 10 GLU CB C 13 29.85 0.20 . 1 . . . . A 8 GLU CB . 36733 1 67 . 1 . 1 10 10 GLU N N 15 121.625 0.20 . 1 . . . . A 8 GLU N . 36733 1 68 . 1 . 1 11 11 LEU H H 1 8.164 0.04 . 1 . . . . A 9 LEU H . 36733 1 69 . 1 . 1 11 11 LEU HA H 1 4.206 0.04 . 1 . . . . A 9 LEU HA . 36733 1 70 . 1 . 1 11 11 LEU HB2 H 1 1.656 0.04 . 2 . . . . A 9 LEU HB2 . 36733 1 71 . 1 . 1 11 11 LEU HB3 H 1 1.656 0.04 . 2 . . . . A 9 LEU HB3 . 36733 1 72 . 1 . 1 11 11 LEU HD11 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD11 . 36733 1 73 . 1 . 1 11 11 LEU HD12 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD12 . 36733 1 74 . 1 . 1 11 11 LEU HD13 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD13 . 36733 1 75 . 1 . 1 11 11 LEU HD21 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD21 . 36733 1 76 . 1 . 1 11 11 LEU HD22 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD22 . 36733 1 77 . 1 . 1 11 11 LEU HD23 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD23 . 36733 1 78 . 1 . 1 11 11 LEU C C 13 178.3 0.20 . 1 . . . . A 9 LEU C . 36733 1 79 . 1 . 1 11 11 LEU CA C 13 55.94 0.20 . 1 . . . . A 9 LEU CA . 36733 1 80 . 1 . 1 11 11 LEU CB C 13 41.91 0.20 . 1 . . . . A 9 LEU CB . 36733 1 81 . 1 . 1 11 11 LEU N N 15 122.515 0.20 . 1 . . . . A 9 LEU N . 36733 1 82 . 1 . 1 12 12 ALA H H 1 8.105 0.04 . 1 . . . . A 10 ALA H . 36733 1 83 . 1 . 1 12 12 ALA HA H 1 4.22 0.04 . 1 . . . . A 10 ALA HA . 36733 1 84 . 1 . 1 12 12 ALA HB1 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB1 . 36733 1 85 . 1 . 1 12 12 ALA HB2 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB2 . 36733 1 86 . 1 . 1 12 12 ALA HB3 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB3 . 36733 1 87 . 1 . 1 12 12 ALA C C 13 178.67 0.20 . 1 . . . . A 10 ALA C . 36733 1 88 . 1 . 1 12 12 ALA CA C 13 53.4 0.20 . 1 . . . . A 10 ALA CA . 36733 1 89 . 1 . 1 12 12 ALA CB C 13 18.78 0.20 . 1 . . . . A 10 ALA CB . 36733 1 90 . 1 . 1 12 12 ALA N N 15 123.249 0.20 . 1 . . . . A 10 ALA N . 36733 1 91 . 1 . 1 13 13 ARG H H 1 8.054 0.04 . 1 . . . . A 11 ARG H . 36733 1 92 . 1 . 1 13 13 ARG HA H 1 4.223 0.04 . 1 . . . . A 11 ARG HA . 36733 1 93 . 1 . 1 13 13 ARG HB2 H 1 1.86 0.04 . 2 . . . . A 11 ARG HB2 . 36733 1 94 . 1 . 1 13 13 ARG HB3 H 1 1.86 0.04 . 2 . . . . A 11 ARG HB3 . 36733 1 95 . 1 . 1 13 13 ARG HD2 H 1 2.439 0.04 . 2 . . . . A 11 ARG HD2 . 36733 1 96 . 1 . 1 13 13 ARG HD3 H 1 2.439 0.04 . 2 . . . . A 11 ARG HD3 . 36733 1 97 . 1 . 1 13 13 ARG C C 13 177.42 0.20 . 1 . . . . A 11 ARG C . 36733 1 98 . 1 . 1 13 13 ARG CA C 13 56.96 0.20 . 1 . . . . A 11 ARG CA . 36733 1 99 . 1 . 1 13 13 ARG CB C 13 30.49 0.20 . 1 . . . . A 11 ARG CB . 36733 1 100 . 1 . 1 13 13 ARG N N 15 119.497 0.20 . 1 . . . . A 11 ARG N . 36733 1 101 . 1 . 1 14 14 GLN H H 1 8.211 0.04 . 1 . . . . A 12 GLN H . 36733 1 102 . 1 . 1 14 14 GLN HA H 1 4.219 0.04 . 1 . . . . A 12 GLN HA . 36733 1 103 . 1 . 1 14 14 GLN HB2 H 1 2.094 0.04 . 2 . . . . A 12 GLN HB2 . 36733 1 104 . 1 . 1 14 14 GLN HB3 H 1 2.094 0.04 . 2 . . . . A 12 GLN HB3 . 36733 1 105 . 1 . 1 14 14 GLN HG2 H 1 2.422 0.04 . 2 . . . . A 12 GLN HG2 . 36733 1 106 . 1 . 1 14 14 GLN HG3 H 1 2.422 0.04 . 2 . . . . A 12 GLN HG3 . 36733 1 107 . 1 . 1 14 14 GLN C C 13 177.1 0.20 . 1 . . . . A 12 GLN C . 36733 1 108 . 1 . 1 14 14 GLN CA C 13 57.15 0.20 . 1 . . . . A 12 GLN CA . 36733 1 109 . 1 . 1 14 14 GLN CB C 13 28.97 0.20 . 1 . . . . A 12 GLN CB . 36733 1 110 . 1 . 1 14 14 GLN N N 15 120.399 0.20 . 1 . . . . A 12 GLN N . 36733 1 111 . 1 . 1 15 15 LYS C C 13 177.02 0.20 . 1 . . . . A 13 LYS C . 36733 1 112 . 1 . 1 15 15 LYS CA C 13 56.96 0.20 . 1 . . . . A 13 LYS CA . 36733 1 113 . 1 . 1 15 15 LYS CB C 13 32.87 0.20 . 1 . . . . A 13 LYS CB . 36733 1 114 . 1 . 1 16 16 ASN H H 1 8.362 0.04 . 1 . . . . A 14 ASN H . 36733 1 115 . 1 . 1 16 16 ASN HA H 1 4.501 0.04 . 1 . . . . A 14 ASN HA . 36733 1 116 . 1 . 1 16 16 ASN HB2 H 1 2.813 0.04 . 2 . . . . A 14 ASN HB2 . 36733 1 117 . 1 . 1 16 16 ASN HB3 H 1 2.813 0.04 . 2 . . . . A 14 ASN HB3 . 36733 1 118 . 1 . 1 16 16 ASN C C 13 175.63 0.20 . 1 . . . . A 14 ASN C . 36733 1 119 . 1 . 1 16 16 ASN CA C 13 53.42 0.20 . 1 . . . . A 14 ASN CA . 36733 1 120 . 1 . 1 16 16 ASN CB C 13 38.72 0.20 . 1 . . . . A 14 ASN CB . 36733 1 121 . 1 . 1 16 16 ASN N N 15 118.943 0.20 . 1 . . . . A 14 ASN N . 36733 1 122 . 1 . 1 17 17 MET H H 1 8.231 0.04 . 1 . . . . A 15 MET H . 36733 1 123 . 1 . 1 17 17 MET HA H 1 4.4 0.04 . 1 . . . . A 15 MET HA . 36733 1 124 . 1 . 1 17 17 MET HG2 H 1 2.667 0.04 . 2 . . . . A 15 MET HG2 . 36733 1 125 . 1 . 1 17 17 MET HG3 H 1 2.667 0.04 . 2 . . . . A 15 MET HG3 . 36733 1 126 . 1 . 1 17 17 MET C C 13 176.47 0.20 . 1 . . . . A 15 MET C . 36733 1 127 . 1 . 1 17 17 MET CA C 13 55.76 0.20 . 1 . . . . A 15 MET CA . 36733 1 128 . 1 . 1 17 17 MET CB C 13 32.91 0.20 . 1 . . . . A 15 MET CB . 36733 1 129 . 1 . 1 17 17 MET N N 15 120.997 0.20 . 1 . . . . A 15 MET N . 36733 1 130 . 1 . 1 18 18 LYS H H 1 8.157 0.04 . 1 . . . . A 16 LYS H . 36733 1 131 . 1 . 1 18 18 LYS HA H 1 4.139 0.04 . 1 . . . . A 16 LYS HA . 36733 1 132 . 1 . 1 18 18 LYS HB2 H 1 1.841 0.04 . 2 . . . . A 16 LYS HB2 . 36733 1 133 . 1 . 1 18 18 LYS HB3 H 1 1.841 0.04 . 2 . . . . A 16 LYS HB3 . 36733 1 134 . 1 . 1 18 18 LYS C C 13 176.79 0.20 . 1 . . . . A 16 LYS C . 36733 1 135 . 1 . 1 18 18 LYS CA C 13 57.1 0.20 . 1 . . . . A 16 LYS CA . 36733 1 136 . 1 . 1 18 18 LYS CB C 13 32.78 0.20 . 1 . . . . A 16 LYS CB . 36733 1 137 . 1 . 1 18 18 LYS N N 15 121.933 0.20 . 1 . . . . A 16 LYS N . 36733 1 138 . 1 . 1 19 19 LYS H H 1 8.331 0.04 . 1 . . . . A 17 LYS H . 36733 1 139 . 1 . 1 19 19 LYS HA H 1 4.375 0.04 . 1 . . . . A 17 LYS HA . 36733 1 140 . 1 . 1 19 19 LYS HB2 H 1 1.834 0.04 . 2 . . . . A 17 LYS HB2 . 36733 1 141 . 1 . 1 19 19 LYS HB3 H 1 1.834 0.04 . 2 . . . . A 17 LYS HB3 . 36733 1 142 . 1 . 1 19 19 LYS C C 13 176.98 0.20 . 1 . . . . A 17 LYS C . 36733 1 143 . 1 . 1 19 19 LYS CA C 13 56.82 0.20 . 1 . . . . A 17 LYS CA . 36733 1 144 . 1 . 1 19 19 LYS CB C 13 32.71 0.20 . 1 . . . . A 17 LYS CB . 36733 1 145 . 1 . 1 19 19 LYS N N 15 122.848 0.20 . 1 . . . . A 17 LYS N . 36733 1 146 . 1 . 1 20 20 THR H H 1 8.193 0.04 . 1 . . . . A 18 THR H . 36733 1 147 . 1 . 1 20 20 THR HA H 1 4.299 0.04 . 1 . . . . A 18 THR HA . 36733 1 148 . 1 . 1 20 20 THR HG21 H 1 1.203 0.04 . 1 . . . . A 18 THR HG21 . 36733 1 149 . 1 . 1 20 20 THR HG22 H 1 1.203 0.04 . 1 . . . . A 18 THR HG22 . 36733 1 150 . 1 . 1 20 20 THR HG23 H 1 1.203 0.04 . 1 . . . . A 18 THR HG23 . 36733 1 151 . 1 . 1 20 20 THR C C 13 174.77 0.20 . 1 . . . . A 18 THR C . 36733 1 152 . 1 . 1 20 20 THR CA C 13 62.24 0.20 . 1 . . . . A 18 THR CA . 36733 1 153 . 1 . 1 20 20 THR CB C 13 69.71 0.20 . 1 . . . . A 18 THR CB . 36733 1 154 . 1 . 1 20 20 THR N N 15 115.955 0.20 . 1 . . . . A 18 THR N . 36733 1 155 . 1 . 1 21 21 GLN H H 1 8.414 0.04 . 1 . . . . A 19 GLN H . 36733 1 156 . 1 . 1 21 21 GLN HA H 1 4.323 0.04 . 1 . . . . A 19 GLN HA . 36733 1 157 . 1 . 1 21 21 GLN HB2 H 1 2.025 0.04 . 2 . . . . A 19 GLN HB2 . 36733 1 158 . 1 . 1 21 21 GLN HB3 H 1 2.025 0.04 . 2 . . . . A 19 GLN HB3 . 36733 1 159 . 1 . 1 21 21 GLN HG2 H 1 2.375 0.04 . 2 . . . . A 19 GLN HG2 . 36733 1 160 . 1 . 1 21 21 GLN HG3 H 1 2.375 0.04 . 2 . . . . A 19 GLN HG3 . 36733 1 161 . 1 . 1 21 21 GLN C C 13 176.02 0.20 . 1 . . . . A 19 GLN C . 36733 1 162 . 1 . 1 21 21 GLN CA C 13 56.16 0.20 . 1 . . . . A 19 GLN CA . 36733 1 163 . 1 . 1 21 21 GLN CB C 13 29.38 0.20 . 1 . . . . A 19 GLN CB . 36733 1 164 . 1 . 1 21 21 GLN N N 15 122.689 0.20 . 1 . . . . A 19 GLN N . 36733 1 165 . 1 . 1 22 22 GLU H H 1 8.437 0.04 . 1 . . . . A 20 GLU H . 36733 1 166 . 1 . 1 22 22 GLU HA H 1 4.288 0.04 . 1 . . . . A 20 GLU HA . 36733 1 167 . 1 . 1 22 22 GLU HB2 H 1 1.957 0.04 . 2 . . . . A 20 GLU HB2 . 36733 1 168 . 1 . 1 22 22 GLU HB3 H 1 1.957 0.04 . 2 . . . . A 20 GLU HB3 . 36733 1 169 . 1 . 1 22 22 GLU HG2 H 1 2.255 0.04 . 2 . . . . A 20 GLU HG2 . 36733 1 170 . 1 . 1 22 22 GLU HG3 H 1 2.255 0.04 . 2 . . . . A 20 GLU HG3 . 36733 1 171 . 1 . 1 22 22 GLU C C 13 176.77 0.20 . 1 . . . . A 20 GLU C . 36733 1 172 . 1 . 1 22 22 GLU CA C 13 56.69 0.20 . 1 . . . . A 20 GLU CA . 36733 1 173 . 1 . 1 22 22 GLU CB C 13 30.28 0.20 . 1 . . . . A 20 GLU CB . 36733 1 174 . 1 . 1 22 22 GLU N N 15 123.014 0.20 . 1 . . . . A 20 GLU N . 36733 1 175 . 1 . 1 23 23 ILE H H 1 8.284 0.04 . 1 . . . . A 21 ILE H . 36733 1 176 . 1 . 1 23 23 ILE HA H 1 4.154 0.04 . 1 . . . . A 21 ILE HA . 36733 1 177 . 1 . 1 23 23 ILE HB H 1 1.869 0.04 . 1 . . . . A 21 ILE HB . 36733 1 178 . 1 . 1 23 23 ILE HD11 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD11 . 36733 1 179 . 1 . 1 23 23 ILE HD12 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD12 . 36733 1 180 . 1 . 1 23 23 ILE HD13 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD13 . 36733 1 181 . 1 . 1 23 23 ILE HG21 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG21 . 36733 1 182 . 1 . 1 23 23 ILE HG22 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG22 . 36733 1 183 . 1 . 1 23 23 ILE HG23 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG23 . 36733 1 184 . 1 . 1 23 23 ILE C C 13 176.5 0.20 . 1 . . . . A 21 ILE C . 36733 1 185 . 1 . 1 23 23 ILE CA C 13 61.34 0.20 . 1 . . . . A 21 ILE CA . 36733 1 186 . 1 . 1 23 23 ILE CB C 13 38.55 0.20 . 1 . . . . A 21 ILE CB . 36733 1 187 . 1 . 1 23 23 ILE N N 15 122.555 0.20 . 1 . . . . A 21 ILE N . 36733 1 188 . 1 . 1 24 24 SER H H 1 8.393 0.04 . 1 . . . . A 22 SER H . 36733 1 189 . 1 . 1 24 24 SER HA H 1 4.431 0.04 . 1 . . . . A 22 SER HA . 36733 1 190 . 1 . 1 24 24 SER HB2 H 1 3.86 0.04 . 2 . . . . A 22 SER HB2 . 36733 1 191 . 1 . 1 24 24 SER HB3 H 1 3.86 0.04 . 2 . . . . A 22 SER HB3 . 36733 1 192 . 1 . 1 24 24 SER C C 13 174.71 0.20 . 1 . . . . A 22 SER C . 36733 1 193 . 1 . 1 24 24 SER CA C 13 58.64 0.20 . 1 . . . . A 22 SER CA . 36733 1 194 . 1 . 1 24 24 SER CB C 13 63.64 0.20 . 1 . . . . A 22 SER CB . 36733 1 195 . 1 . 1 24 24 SER N N 15 119.873 0.20 . 1 . . . . A 22 SER N . 36733 1 196 . 1 . 1 25 25 LYS H H 1 8.406 0.04 . 1 . . . . A 23 LYS H . 36733 1 197 . 1 . 1 25 25 LYS C C 13 177.1 0.20 . 1 . . . . A 23 LYS C . 36733 1 198 . 1 . 1 25 25 LYS CA C 13 56.64 0.20 . 1 . . . . A 23 LYS CA . 36733 1 199 . 1 . 1 25 25 LYS CB C 13 32.84 0.20 . 1 . . . . A 23 LYS CB . 36733 1 200 . 1 . 1 25 25 LYS N N 15 123.835 0.20 . 1 . . . . A 23 LYS N . 36733 1 201 . 1 . 1 26 26 GLY H H 1 8.398 0.04 . 1 . . . . A 24 GLY H . 36733 1 202 . 1 . 1 26 26 GLY HA2 H 1 3.939 0.04 . 2 . . . . A 24 GLY HA2 . 36733 1 203 . 1 . 1 26 26 GLY HA3 H 1 3.939 0.04 . 2 . . . . A 24 GLY HA3 . 36733 1 204 . 1 . 1 26 26 GLY C C 13 173.84 0.20 . 1 . . . . A 24 GLY C . 36733 1 205 . 1 . 1 26 26 GLY CA C 13 45.15 0.20 . 1 . . . . A 24 GLY CA . 36733 1 206 . 1 . 1 26 26 GLY N N 15 109.666 0.20 . 1 . . . . A 24 GLY N . 36733 1 207 . 1 . 1 27 27 LYS H H 1 8.207 0.04 . 1 . . . . A 25 LYS H . 36733 1 208 . 1 . 1 27 27 LYS HA H 1 4.416 0.04 . 1 . . . . A 25 LYS HA . 36733 1 209 . 1 . 1 27 27 LYS C C 13 176.46 0.20 . 1 . . . . A 25 LYS C . 36733 1 210 . 1 . 1 27 27 LYS CA C 13 56.23 0.20 . 1 . . . . A 25 LYS CA . 36733 1 211 . 1 . 1 27 27 LYS CB C 13 32.91 0.20 . 1 . . . . A 25 LYS CB . 36733 1 212 . 1 . 1 27 27 LYS N N 15 121.2 0.20 . 1 . . . . A 25 LYS N . 36733 1 213 . 1 . 1 28 28 ARG H H 1 8.447 0.04 . 1 . . . . A 26 ARG H . 36733 1 214 . 1 . 1 28 28 ARG HA H 1 4.287 0.04 . 1 . . . . A 26 ARG HA . 36733 1 215 . 1 . 1 28 28 ARG HB2 H 1 1.798 0.04 . 2 . . . . A 26 ARG HB2 . 36733 1 216 . 1 . 1 28 28 ARG HB3 H 1 1.798 0.04 . 2 . . . . A 26 ARG HB3 . 36733 1 217 . 1 . 1 28 28 ARG HD2 H 1 3.195 0.04 . 2 . . . . A 26 ARG HD2 . 36733 1 218 . 1 . 1 28 28 ARG HD3 H 1 3.195 0.04 . 2 . . . . A 26 ARG HD3 . 36733 1 219 . 1 . 1 28 28 ARG HG2 H 1 1.646 0.04 . 2 . . . . A 26 ARG HG2 . 36733 1 220 . 1 . 1 28 28 ARG HG3 H 1 1.646 0.04 . 2 . . . . A 26 ARG HG3 . 36733 1 221 . 1 . 1 28 28 ARG C C 13 176.5 0.20 . 1 . . . . A 26 ARG C . 36733 1 222 . 1 . 1 28 28 ARG CA C 13 55.99 0.20 . 1 . . . . A 26 ARG CA . 36733 1 223 . 1 . 1 28 28 ARG CB C 13 30.44 0.20 . 1 . . . . A 26 ARG CB . 36733 1 224 . 1 . 1 28 28 ARG N N 15 123.062 0.20 . 1 . . . . A 26 ARG N . 36733 1 225 . 1 . 1 29 29 LYS H H 1 8.556 0.04 . 1 . . . . A 27 LYS H . 36733 1 226 . 1 . 1 29 29 LYS C C 13 176.93 0.20 . 1 . . . . A 27 LYS C . 36733 1 227 . 1 . 1 29 29 LYS CA C 13 56.9 0.20 . 1 . . . . A 27 LYS CA . 36733 1 228 . 1 . 1 29 29 LYS CB C 13 32.79 0.20 . 1 . . . . A 27 LYS CB . 36733 1 229 . 1 . 1 29 29 LYS N N 15 124.229 0.20 . 1 . . . . A 27 LYS N . 36733 1 230 . 1 . 1 30 30 GLU H H 1 8.726 0.04 . 1 . . . . A 28 GLU H . 36733 1 231 . 1 . 1 30 30 GLU HA H 1 4.266 0.04 . 1 . . . . A 28 GLU HA . 36733 1 232 . 1 . 1 30 30 GLU HB2 H 1 1.98 0.04 . 2 . . . . A 28 GLU HB2 . 36733 1 233 . 1 . 1 30 30 GLU HB3 H 1 1.98 0.04 . 2 . . . . A 28 GLU HB3 . 36733 1 234 . 1 . 1 30 30 GLU HG2 H 1 2.294 0.04 . 2 . . . . A 28 GLU HG2 . 36733 1 235 . 1 . 1 30 30 GLU HG3 H 1 2.294 0.04 . 2 . . . . A 28 GLU HG3 . 36733 1 236 . 1 . 1 30 30 GLU C C 13 176.37 0.20 . 1 . . . . A 28 GLU C . 36733 1 237 . 1 . 1 30 30 GLU CA C 13 56.97 0.20 . 1 . . . . A 28 GLU CA . 36733 1 238 . 1 . 1 30 30 GLU CB C 13 29.94 0.20 . 1 . . . . A 28 GLU CB . 36733 1 239 . 1 . 1 30 30 GLU N N 15 122.515 0.20 . 1 . . . . A 28 GLU N . 36733 1 240 . 1 . 1 31 31 ASP H H 1 8.298 0.04 . 1 . . . . A 29 ASP H . 36733 1 241 . 1 . 1 31 31 ASP HA H 1 4.608 0.04 . 1 . . . . A 29 ASP HA . 36733 1 242 . 1 . 1 31 31 ASP HB2 H 1 2.686 0.04 . 2 . . . . A 29 ASP HB2 . 36733 1 243 . 1 . 1 31 31 ASP HB3 H 1 2.686 0.04 . 2 . . . . A 29 ASP HB3 . 36733 1 244 . 1 . 1 31 31 ASP C C 13 176.41 0.20 . 1 . . . . A 29 ASP C . 36733 1 245 . 1 . 1 31 31 ASP CA C 13 54.61 0.20 . 1 . . . . A 29 ASP CA . 36733 1 246 . 1 . 1 31 31 ASP CB C 13 41.11 0.20 . 1 . . . . A 29 ASP CB . 36733 1 247 . 1 . 1 31 31 ASP N N 15 121.585 0.20 . 1 . . . . A 29 ASP N . 36733 1 248 . 1 . 1 32 32 SER H H 1 8.268 0.04 . 1 . . . . A 30 SER H . 36733 1 249 . 1 . 1 32 32 SER HA H 1 4.413 0.04 . 1 . . . . A 30 SER HA . 36733 1 250 . 1 . 1 32 32 SER HB2 H 1 3.899 0.04 . 2 . . . . A 30 SER HB2 . 36733 1 251 . 1 . 1 32 32 SER HB3 H 1 3.899 0.04 . 2 . . . . A 30 SER HB3 . 36733 1 252 . 1 . 1 32 32 SER C C 13 174.76 0.20 . 1 . . . . A 30 SER C . 36733 1 253 . 1 . 1 32 32 SER CA C 13 58.69 0.20 . 1 . . . . A 30 SER CA . 36733 1 254 . 1 . 1 32 32 SER CB C 13 63.54 0.20 . 1 . . . . A 30 SER CB . 36733 1 255 . 1 . 1 32 32 SER N N 15 116.148 0.20 . 1 . . . . A 30 SER N . 36733 1 256 . 1 . 1 33 33 LEU H H 1 8.183 0.04 . 1 . . . . A 31 LEU H . 36733 1 257 . 1 . 1 33 33 LEU HA H 1 4.455 0.04 . 1 . . . . A 31 LEU HA . 36733 1 258 . 1 . 1 33 33 LEU HB2 H 1 1.676 0.04 . 2 . . . . A 31 LEU HB2 . 36733 1 259 . 1 . 1 33 33 LEU HB3 H 1 1.676 0.04 . 2 . . . . A 31 LEU HB3 . 36733 1 260 . 1 . 1 33 33 LEU C C 13 178.28 0.20 . 1 . . . . A 31 LEU C . 36733 1 261 . 1 . 1 33 33 LEU CA C 13 55.76 0.20 . 1 . . . . A 31 LEU CA . 36733 1 262 . 1 . 1 33 33 LEU CB C 13 42.31 0.20 . 1 . . . . A 31 LEU CB . 36733 1 263 . 1 . 1 33 33 LEU N N 15 123.788 0.20 . 1 . . . . A 31 LEU N . 36733 1 264 . 1 . 1 34 34 THR H H 1 8.293 0.04 . 1 . . . . A 32 THR H . 36733 1 265 . 1 . 1 34 34 THR HA H 1 4.278 0.04 . 1 . . . . A 32 THR HA . 36733 1 266 . 1 . 1 34 34 THR HG21 H 1 1.274 0.04 . 1 . . . . A 32 THR HG21 . 36733 1 267 . 1 . 1 34 34 THR HG22 H 1 1.274 0.04 . 1 . . . . A 32 THR HG22 . 36733 1 268 . 1 . 1 34 34 THR HG23 H 1 1.274 0.04 . 1 . . . . A 32 THR HG23 . 36733 1 269 . 1 . 1 34 34 THR C C 13 175.41 0.20 . 1 . . . . A 32 THR C . 36733 1 270 . 1 . 1 34 34 THR CA C 13 62.24 0.20 . 1 . . . . A 32 THR CA . 36733 1 271 . 1 . 1 34 34 THR CB C 13 69.85 0.20 . 1 . . . . A 32 THR CB . 36733 1 272 . 1 . 1 34 34 THR N N 15 114.203 0.20 . 1 . . . . A 32 THR N . 36733 1 273 . 1 . 1 35 35 ALA H H 1 8.516 0.04 . 1 . . . . A 33 ALA H . 36733 1 274 . 1 . 1 35 35 ALA HA H 1 4.175 0.04 . 1 . . . . A 33 ALA HA . 36733 1 275 . 1 . 1 35 35 ALA HB1 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB1 . 36733 1 276 . 1 . 1 35 35 ALA HB2 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB2 . 36733 1 277 . 1 . 1 35 35 ALA HB3 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB3 . 36733 1 278 . 1 . 1 35 35 ALA C C 13 179.89 0.20 . 1 . . . . A 33 ALA C . 36733 1 279 . 1 . 1 35 35 ALA CA C 13 54.59 0.20 . 1 . . . . A 33 ALA CA . 36733 1 280 . 1 . 1 35 35 ALA CB C 13 18.34 0.20 . 1 . . . . A 33 ALA CB . 36733 1 281 . 1 . 1 35 35 ALA N N 15 124.821 0.20 . 1 . . . . A 33 ALA N . 36733 1 282 . 1 . 1 36 36 SER H H 1 8.342 0.04 . 1 . . . . A 34 SER H . 36733 1 283 . 1 . 1 36 36 SER HA H 1 3.89 0.04 . 1 . . . . A 34 SER HA . 36733 1 284 . 1 . 1 36 36 SER C C 13 176.48 0.20 . 1 . . . . A 34 SER C . 36733 1 285 . 1 . 1 36 36 SER CA C 13 60.14 0.20 . 1 . . . . A 34 SER CA . 36733 1 286 . 1 . 1 36 36 SER CB C 13 62.88 0.20 . 1 . . . . A 34 SER CB . 36733 1 287 . 1 . 1 36 36 SER N N 15 113.867 0.20 . 1 . . . . A 34 SER N . 36733 1 288 . 1 . 1 37 37 GLN H H 1 8.02 0.04 . 1 . . . . A 35 GLN H . 36733 1 289 . 1 . 1 37 37 GLN HA H 1 4.219 0.04 . 1 . . . . A 35 GLN HA . 36733 1 290 . 1 . 1 37 37 GLN HB2 H 1 2.171 0.04 . 2 . . . . A 35 GLN HB2 . 36733 1 291 . 1 . 1 37 37 GLN HB3 H 1 2.171 0.04 . 2 . . . . A 35 GLN HB3 . 36733 1 292 . 1 . 1 37 37 GLN HG2 H 1 2.414 0.04 . 2 . . . . A 35 GLN HG2 . 36733 1 293 . 1 . 1 37 37 GLN HG3 H 1 2.414 0.04 . 2 . . . . A 35 GLN HG3 . 36733 1 294 . 1 . 1 37 37 GLN C C 13 177.96 0.20 . 1 . . . . A 35 GLN C . 36733 1 295 . 1 . 1 37 37 GLN CA C 13 57.35 0.20 . 1 . . . . A 35 GLN CA . 36733 1 296 . 1 . 1 37 37 GLN CB C 13 28.99 0.20 . 1 . . . . A 35 GLN CB . 36733 1 297 . 1 . 1 37 37 GLN N N 15 122.282 0.20 . 1 . . . . A 35 GLN N . 36733 1 298 . 1 . 1 38 38 ARG H H 1 8.353 0.04 . 1 . . . . A 36 ARG H . 36733 1 299 . 1 . 1 38 38 ARG HA H 1 4.138 0.04 . 1 . . . . A 36 ARG HA . 36733 1 300 . 1 . 1 38 38 ARG HB2 H 1 1.848 0.04 . 2 . . . . A 36 ARG HB2 . 36733 1 301 . 1 . 1 38 38 ARG HB3 H 1 1.848 0.04 . 2 . . . . A 36 ARG HB3 . 36733 1 302 . 1 . 1 38 38 ARG HD2 H 1 3.231 0.04 . 2 . . . . A 36 ARG HD2 . 36733 1 303 . 1 . 1 38 38 ARG HD3 H 1 3.231 0.04 . 2 . . . . A 36 ARG HD3 . 36733 1 304 . 1 . 1 38 38 ARG HG2 H 1 1.645 0.04 . 2 . . . . A 36 ARG HG2 . 36733 1 305 . 1 . 1 38 38 ARG HG3 H 1 1.645 0.04 . 2 . . . . A 36 ARG HG3 . 36733 1 306 . 1 . 1 38 38 ARG C C 13 177.21 0.20 . 1 . . . . A 36 ARG C . 36733 1 307 . 1 . 1 38 38 ARG CA C 13 57.87 0.20 . 1 . . . . A 36 ARG CA . 36733 1 308 . 1 . 1 38 38 ARG CB C 13 30.09 0.20 . 1 . . . . A 36 ARG CB . 36733 1 309 . 1 . 1 38 38 ARG N N 15 121.453 0.20 . 1 . . . . A 36 ARG N . 36733 1 310 . 1 . 1 39 39 LYS H H 1 8.092 0.04 . 1 . . . . A 37 LYS H . 36733 1 311 . 1 . 1 39 39 LYS HA H 1 4.202 0.04 . 1 . . . . A 37 LYS HA . 36733 1 312 . 1 . 1 39 39 LYS HD2 H 1 1.439 0.04 . 1 . . . . A 37 LYS HD2 . 36733 1 313 . 1 . 1 39 39 LYS C C 13 178.38 0.20 . 1 . . . . A 37 LYS C . 36733 1 314 . 1 . 1 39 39 LYS CA C 13 57.85 0.20 . 1 . . . . A 37 LYS CA . 36733 1 315 . 1 . 1 39 39 LYS CB C 13 32.62 0.20 . 1 . . . . A 37 LYS CB . 36733 1 316 . 1 . 1 39 39 LYS N N 15 120.967 0.20 . 1 . . . . A 37 LYS N . 36733 1 317 . 1 . 1 40 40 GLN H H 1 8.133 0.04 . 1 . . . . A 38 GLN H . 36733 1 318 . 1 . 1 40 40 GLN HA H 1 4.202 0.04 . 1 . . . . A 38 GLN HA . 36733 1 319 . 1 . 1 40 40 GLN HB2 H 1 2.106 0.04 . 2 . . . . A 38 GLN HB2 . 36733 1 320 . 1 . 1 40 40 GLN HB3 H 1 2.106 0.04 . 2 . . . . A 38 GLN HB3 . 36733 1 321 . 1 . 1 40 40 GLN HG2 H 1 2.403 0.04 . 2 . . . . A 38 GLN HG2 . 36733 1 322 . 1 . 1 40 40 GLN HG3 H 1 2.403 0.04 . 2 . . . . A 38 GLN HG3 . 36733 1 323 . 1 . 1 40 40 GLN C C 13 177.42 0.20 . 1 . . . . A 38 GLN C . 36733 1 324 . 1 . 1 40 40 GLN CA C 13 57.48 0.20 . 1 . . . . A 38 GLN CA . 36733 1 325 . 1 . 1 40 40 GLN CB C 13 29.03 0.20 . 1 . . . . A 38 GLN CB . 36733 1 326 . 1 . 1 40 40 GLN N N 15 120.831 0.20 . 1 . . . . A 38 GLN N . 36733 1 327 . 1 . 1 41 41 ARG H H 1 8.306 0.04 . 1 . . . . A 39 ARG H . 36733 1 328 . 1 . 1 41 41 ARG HA H 1 4.215 0.04 . 1 . . . . A 39 ARG HA . 36733 1 329 . 1 . 1 41 41 ARG HB2 H 1 1.906 0.04 . 2 . . . . A 39 ARG HB2 . 36733 1 330 . 1 . 1 41 41 ARG HB3 H 1 1.906 0.04 . 2 . . . . A 39 ARG HB3 . 36733 1 331 . 1 . 1 41 41 ARG HD2 H 1 3.244 0.04 . 2 . . . . A 39 ARG HD2 . 36733 1 332 . 1 . 1 41 41 ARG HD3 H 1 3.244 0.04 . 2 . . . . A 39 ARG HD3 . 36733 1 333 . 1 . 1 41 41 ARG HG2 H 1 1.713 0.04 . 2 . . . . A 39 ARG HG2 . 36733 1 334 . 1 . 1 41 41 ARG HG3 H 1 1.713 0.04 . 2 . . . . A 39 ARG HG3 . 36733 1 335 . 1 . 1 41 41 ARG C C 13 177.67 0.20 . 1 . . . . A 39 ARG C . 36733 1 336 . 1 . 1 41 41 ARG CA C 13 57.68 0.20 . 1 . . . . A 39 ARG CA . 36733 1 337 . 1 . 1 41 41 ARG CB C 13 29.71 0.20 . 1 . . . . A 39 ARG CB . 36733 1 338 . 1 . 1 41 41 ARG N N 15 121.647 0.20 . 1 . . . . A 39 ARG N . 36733 1 339 . 1 . 1 42 42 ASP H H 1 8.45 0.04 . 1 . . . . A 40 ASP H . 36733 1 340 . 1 . 1 42 42 ASP HA H 1 4.493 0.04 . 1 . . . . A 40 ASP HA . 36733 1 341 . 1 . 1 42 42 ASP HB2 H 1 2.702 0.04 . 2 . . . . A 40 ASP HB2 . 36733 1 342 . 1 . 1 42 42 ASP HB3 H 1 2.702 0.04 . 2 . . . . A 40 ASP HB3 . 36733 1 343 . 1 . 1 42 42 ASP C C 13 178.35 0.20 . 1 . . . . A 40 ASP C . 36733 1 344 . 1 . 1 42 42 ASP CA C 13 56.2 0.20 . 1 . . . . A 40 ASP CA . 36733 1 345 . 1 . 1 42 42 ASP CB C 13 40.41 0.20 . 1 . . . . A 40 ASP CB . 36733 1 346 . 1 . 1 42 42 ASP N N 15 120.65 0.20 . 1 . . . . A 40 ASP N . 36733 1 347 . 1 . 1 43 43 SER H H 1 8.121 0.04 . 1 . . . . A 41 SER H . 36733 1 348 . 1 . 1 43 43 SER HA H 1 4.34 0.04 . 1 . . . . A 41 SER HA . 36733 1 349 . 1 . 1 43 43 SER HB2 H 1 3.967 0.04 . 2 . . . . A 41 SER HB2 . 36733 1 350 . 1 . 1 43 43 SER HB3 H 1 3.967 0.04 . 2 . . . . A 41 SER HB3 . 36733 1 351 . 1 . 1 43 43 SER C C 13 178.3 0.20 . 1 . . . . A 41 SER C . 36733 1 352 . 1 . 1 43 43 SER CA C 13 59.94 0.20 . 1 . . . . A 41 SER CA . 36733 1 353 . 1 . 1 43 43 SER CB C 13 63.34 0.20 . 1 . . . . A 41 SER CB . 36733 1 354 . 1 . 1 43 43 SER N N 15 115.59 0.20 . 1 . . . . A 41 SER N . 36733 1 355 . 1 . 1 44 44 GLU H H 1 8.185 0.04 . 1 . . . . A 42 GLU H . 36733 1 356 . 1 . 1 44 44 GLU HA H 1 4.19 0.04 . 1 . . . . A 42 GLU HA . 36733 1 357 . 1 . 1 44 44 GLU HB2 H 1 2.117 0.04 . 2 . . . . A 42 GLU HB2 . 36733 1 358 . 1 . 1 44 44 GLU HB3 H 1 2.117 0.04 . 2 . . . . A 42 GLU HB3 . 36733 1 359 . 1 . 1 44 44 GLU HG2 H 1 2.382 0.04 . 2 . . . . A 42 GLU HG2 . 36733 1 360 . 1 . 1 44 44 GLU HG3 H 1 2.382 0.04 . 2 . . . . A 42 GLU HG3 . 36733 1 361 . 1 . 1 44 44 GLU C C 13 178.63 0.20 . 1 . . . . A 42 GLU C . 36733 1 362 . 1 . 1 44 44 GLU CA C 13 58.08 0.20 . 1 . . . . A 42 GLU CA . 36733 1 363 . 1 . 1 44 44 GLU CB C 13 29.9 0.20 . 1 . . . . A 42 GLU CB . 36733 1 364 . 1 . 1 44 44 GLU N N 15 122.891 0.20 . 1 . . . . A 42 GLU N . 36733 1 365 . 1 . 1 45 45 ILE H H 1 8.083 0.04 . 1 . . . . A 43 ILE H . 36733 1 366 . 1 . 1 45 45 ILE HA H 1 3.986 0.04 . 1 . . . . A 43 ILE HA . 36733 1 367 . 1 . 1 45 45 ILE HB H 1 1.915 0.04 . 1 . . . . A 43 ILE HB . 36733 1 368 . 1 . 1 45 45 ILE HD11 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD11 . 36733 1 369 . 1 . 1 45 45 ILE HD12 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD12 . 36733 1 370 . 1 . 1 45 45 ILE HD13 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD13 . 36733 1 371 . 1 . 1 45 45 ILE HG21 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG21 . 36733 1 372 . 1 . 1 45 45 ILE HG22 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG22 . 36733 1 373 . 1 . 1 45 45 ILE HG23 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG23 . 36733 1 374 . 1 . 1 45 45 ILE C C 13 177.95 0.20 . 1 . . . . A 43 ILE C . 36733 1 375 . 1 . 1 45 45 ILE CA C 13 62.86 0.20 . 1 . . . . A 43 ILE CA . 36733 1 376 . 1 . 1 45 45 ILE CB C 13 38.15 0.20 . 1 . . . . A 43 ILE CB . 36733 1 377 . 1 . 1 45 45 ILE N N 15 120.94 0.20 . 1 . . . . A 43 ILE N . 36733 1 378 . 1 . 1 46 46 MET H H 1 8.165 0.04 . 1 . . . . A 44 MET H . 36733 1 379 . 1 . 1 46 46 MET HA H 1 4.36 0.04 . 1 . . . . A 44 MET HA . 36733 1 380 . 1 . 1 46 46 MET HB2 H 1 2.132 0.04 . 2 . . . . A 44 MET HB2 . 36733 1 381 . 1 . 1 46 46 MET HB3 H 1 2.132 0.04 . 2 . . . . A 44 MET HB3 . 36733 1 382 . 1 . 1 46 46 MET HG2 H 1 2.63 0.04 . 2 . . . . A 44 MET HG2 . 36733 1 383 . 1 . 1 46 46 MET HG3 H 1 2.63 0.04 . 2 . . . . A 44 MET HG3 . 36733 1 384 . 1 . 1 46 46 MET C C 13 178.1 0.20 . 1 . . . . A 44 MET C . 36733 1 385 . 1 . 1 46 46 MET CA C 13 57.61 0.20 . 1 . . . . A 44 MET CA . 36733 1 386 . 1 . 1 46 46 MET CB C 13 32.26 0.20 . 1 . . . . A 44 MET CB . 36733 1 387 . 1 . 1 46 46 MET N N 15 121.93 0.20 . 1 . . . . A 44 MET N . 36733 1 388 . 1 . 1 47 47 GLN H H 1 8.255 0.04 . 1 . . . . A 45 GLN H . 36733 1 389 . 1 . 1 47 47 GLN HA H 1 4.214 0.04 . 1 . . . . A 45 GLN HA . 36733 1 390 . 1 . 1 47 47 GLN HB2 H 1 2.106 0.04 . 2 . . . . A 45 GLN HB2 . 36733 1 391 . 1 . 1 47 47 GLN HB3 H 1 2.106 0.04 . 2 . . . . A 45 GLN HB3 . 36733 1 392 . 1 . 1 47 47 GLN HG2 H 1 2.441 0.04 . 2 . . . . A 45 GLN HG2 . 36733 1 393 . 1 . 1 47 47 GLN HG3 H 1 2.441 0.04 . 2 . . . . A 45 GLN HG3 . 36733 1 394 . 1 . 1 47 47 GLN C C 13 178.05 0.20 . 1 . . . . A 45 GLN C . 36733 1 395 . 1 . 1 47 47 GLN CA C 13 57.84 0.20 . 1 . . . . A 45 GLN CA . 36733 1 396 . 1 . 1 47 47 GLN CB C 13 28.85 0.20 . 1 . . . . A 45 GLN CB . 36733 1 397 . 1 . 1 47 47 GLN N N 15 120.651 0.20 . 1 . . . . A 45 GLN N . 36733 1 398 . 1 . 1 48 48 GLU H H 1 8.282 0.04 . 1 . . . . A 46 GLU H . 36733 1 399 . 1 . 1 48 48 GLU HA H 1 4.223 0.04 . 1 . . . . A 46 GLU HA . 36733 1 400 . 1 . 1 48 48 GLU HB2 H 1 1.997 0.04 . 2 . . . . A 46 GLU HB2 . 36733 1 401 . 1 . 1 48 48 GLU HB3 H 1 1.997 0.04 . 2 . . . . A 46 GLU HB3 . 36733 1 402 . 1 . 1 48 48 GLU HG2 H 1 2.284 0.04 . 2 . . . . A 46 GLU HG2 . 36733 1 403 . 1 . 1 48 48 GLU HG3 H 1 2.284 0.04 . 2 . . . . A 46 GLU HG3 . 36733 1 404 . 1 . 1 48 48 GLU C C 13 178.68 0.20 . 1 . . . . A 46 GLU C . 36733 1 405 . 1 . 1 48 48 GLU N N 15 121.304 0.20 . 1 . . . . A 46 GLU N . 36733 1 406 . 1 . 1 51 51 LYS CA C 13 57.49 0.20 . 1 . . . . A 49 LYS CA . 36733 1 407 . 1 . 1 51 51 LYS CB C 13 32.76 0.20 . 1 . . . . A 49 LYS CB . 36733 1 408 . 1 . 1 52 52 ALA H H 1 8.168 0.04 . 1 . . . . A 50 ALA H . 36733 1 409 . 1 . 1 52 52 ALA HA H 1 4.266 0.04 . 1 . . . . A 50 ALA HA . 36733 1 410 . 1 . 1 52 52 ALA HB1 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB1 . 36733 1 411 . 1 . 1 52 52 ALA HB2 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB2 . 36733 1 412 . 1 . 1 52 52 ALA HB3 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB3 . 36733 1 413 . 1 . 1 52 52 ALA C C 13 179.15 0.20 . 1 . . . . A 50 ALA C . 36733 1 414 . 1 . 1 52 52 ALA CA C 13 53.18 0.20 . 1 . . . . A 50 ALA CA . 36733 1 415 . 1 . 1 52 52 ALA CB C 13 18.64 0.20 . 1 . . . . A 50 ALA CB . 36733 1 416 . 1 . 1 52 52 ALA N N 15 123.721 0.20 . 1 . . . . A 50 ALA N . 36733 1 417 . 1 . 1 53 53 ALA H H 1 8.126 0.04 . 1 . . . . A 51 ALA H . 36733 1 418 . 1 . 1 53 53 ALA HA H 1 4.232 0.04 . 1 . . . . A 51 ALA HA . 36733 1 419 . 1 . 1 53 53 ALA HB1 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB1 . 36733 1 420 . 1 . 1 53 53 ALA HB2 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB2 . 36733 1 421 . 1 . 1 53 53 ALA HB3 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB3 . 36733 1 422 . 1 . 1 53 53 ALA C C 13 178.99 0.20 . 1 . . . . A 51 ALA C . 36733 1 423 . 1 . 1 53 53 ALA CA C 13 53.41 0.20 . 1 . . . . A 51 ALA CA . 36733 1 424 . 1 . 1 53 53 ALA CB C 13 18.8 0.20 . 1 . . . . A 51 ALA CB . 36733 1 425 . 1 . 1 53 53 ALA N N 15 122.33 0.20 . 1 . . . . A 51 ALA N . 36733 1 426 . 1 . 1 54 54 ASN H H 1 8.26 0.04 . 1 . . . . A 52 ASN H . 36733 1 427 . 1 . 1 54 54 ASN HA H 1 4.603 0.04 . 1 . . . . A 52 ASN HA . 36733 1 428 . 1 . 1 54 54 ASN HB2 H 1 2.837 0.04 . 2 . . . . A 52 ASN HB2 . 36733 1 429 . 1 . 1 54 54 ASN HB3 H 1 2.837 0.04 . 2 . . . . A 52 ASN HB3 . 36733 1 430 . 1 . 1 54 54 ASN C C 13 176.34 0.20 . 1 . . . . A 52 ASN C . 36733 1 431 . 1 . 1 54 54 ASN CA C 13 54.01 0.20 . 1 . . . . A 52 ASN CA . 36733 1 432 . 1 . 1 54 54 ASN CB C 13 38.68 0.20 . 1 . . . . A 52 ASN CB . 36733 1 433 . 1 . 1 54 54 ASN N N 15 117.229 0.20 . 1 . . . . A 52 ASN N . 36733 1 434 . 1 . 1 55 55 GLU H H 1 8.196 0.04 . 1 . . . . A 53 GLU H . 36733 1 435 . 1 . 1 55 55 GLU HA H 1 4.222 0.04 . 1 . . . . A 53 GLU HA . 36733 1 436 . 1 . 1 55 55 GLU HB2 H 1 2.023 0.04 . 2 . . . . A 53 GLU HB2 . 36733 1 437 . 1 . 1 55 55 GLU HB3 H 1 2.023 0.04 . 2 . . . . A 53 GLU HB3 . 36733 1 438 . 1 . 1 55 55 GLU HG2 H 1 2.288 0.04 . 2 . . . . A 53 GLU HG2 . 36733 1 439 . 1 . 1 55 55 GLU HG3 H 1 2.288 0.04 . 2 . . . . A 53 GLU HG3 . 36733 1 440 . 1 . 1 55 55 GLU C C 13 177.23 0.20 . 1 . . . . A 53 GLU C . 36733 1 441 . 1 . 1 55 55 GLU CA C 13 57.57 0.20 . 1 . . . . A 53 GLU CA . 36733 1 442 . 1 . 1 55 55 GLU CB C 13 29.96 0.20 . 1 . . . . A 53 GLU CB . 36733 1 443 . 1 . 1 55 55 GLU N N 15 121.303 0.20 . 1 . . . . A 53 GLU N . 36733 1 444 . 1 . 1 58 58 SER H H 1 8.282 0.04 . 1 . . . . A 56 SER H . 36733 1 445 . 1 . 1 58 58 SER HA H 1 4.417 0.04 . 1 . . . . A 56 SER HA . 36733 1 446 . 1 . 1 58 58 SER HB2 H 1 3.891 0.04 . 2 . . . . A 56 SER HB2 . 36733 1 447 . 1 . 1 58 58 SER HB3 H 1 3.891 0.04 . 2 . . . . A 56 SER HB3 . 36733 1 448 . 1 . 1 58 58 SER C C 13 174.81 0.20 . 1 . . . . A 56 SER C . 36733 1 449 . 1 . 1 58 58 SER CA C 13 58.67 0.20 . 1 . . . . A 56 SER CA . 36733 1 450 . 1 . 1 58 58 SER CB C 13 63.6 0.20 . 1 . . . . A 56 SER CB . 36733 1 451 . 1 . 1 58 58 SER N N 15 116.489 0.20 . 1 . . . . A 56 SER N . 36733 1 452 . 1 . 1 59 59 MET H H 1 8.384 0.04 . 1 . . . . A 57 MET H . 36733 1 453 . 1 . 1 59 59 MET HA H 1 4.429 0.04 . 1 . . . . A 57 MET HA . 36733 1 454 . 1 . 1 59 59 MET HB2 H 1 2.021 0.04 . 2 . . . . A 57 MET HB2 . 36733 1 455 . 1 . 1 59 59 MET HB3 H 1 2.021 0.04 . 2 . . . . A 57 MET HB3 . 36733 1 456 . 1 . 1 59 59 MET HG2 H 1 2.579 0.04 . 1 . . . . A 57 MET HG2 . 36733 1 457 . 1 . 1 59 59 MET C C 13 175.51 0.20 . 1 . . . . A 57 MET C . 36733 1 458 . 1 . 1 59 59 MET CA C 13 56.69 0.20 . 1 . . . . A 57 MET CA . 36733 1 459 . 1 . 1 59 59 MET CB C 13 32.54 0.20 . 1 . . . . A 57 MET CB . 36733 1 460 . 1 . 1 59 59 MET N N 15 121.923 0.20 . 1 . . . . A 57 MET N . 36733 1 461 . 1 . 1 60 60 GLN C C 13 176.13 0.20 . 1 . . . . A 58 GLN C . 36733 1 462 . 1 . 1 60 60 GLN CA C 13 56.31 0.20 . 1 . . . . A 58 GLN CA . 36733 1 463 . 1 . 1 60 60 GLN CB C 13 29.34 0.20 . 1 . . . . A 58 GLN CB . 36733 1 464 . 1 . 1 61 61 THR H H 1 8.193 0.04 . 1 . . . . A 59 THR H . 36733 1 465 . 1 . 1 61 61 THR HA H 1 4.299 0.04 . 1 . . . . A 59 THR HA . 36733 1 466 . 1 . 1 61 61 THR HG21 H 1 1.203 0.04 . 1 . . . . A 59 THR HG21 . 36733 1 467 . 1 . 1 61 61 THR HG22 H 1 1.203 0.04 . 1 . . . . A 59 THR HG22 . 36733 1 468 . 1 . 1 61 61 THR HG23 H 1 1.203 0.04 . 1 . . . . A 59 THR HG23 . 36733 1 469 . 1 . 1 61 61 THR C C 13 174.12 0.20 . 1 . . . . A 59 THR C . 36733 1 470 . 1 . 1 61 61 THR CA C 13 61.89 0.20 . 1 . . . . A 59 THR CA . 36733 1 471 . 1 . 1 61 61 THR CB C 13 69.77 0.20 . 1 . . . . A 59 THR CB . 36733 1 472 . 1 . 1 61 61 THR N N 15 115.955 0.20 . 1 . . . . A 59 THR N . 36733 1 473 . 1 . 1 62 62 ARG H H 1 8.353 0.04 . 1 . . . . A 60 ARG H . 36733 1 474 . 1 . 1 62 62 ARG HA H 1 4.375 0.04 . 1 . . . . A 60 ARG HA . 36733 1 475 . 1 . 1 62 62 ARG HB2 H 1 1.804 0.04 . 2 . . . . A 60 ARG HB2 . 36733 1 476 . 1 . 1 62 62 ARG HB3 H 1 1.804 0.04 . 2 . . . . A 60 ARG HB3 . 36733 1 477 . 1 . 1 62 62 ARG HD2 H 1 3.191 0.04 . 2 . . . . A 60 ARG HD2 . 36733 1 478 . 1 . 1 62 62 ARG HD3 H 1 3.191 0.04 . 2 . . . . A 60 ARG HD3 . 36733 1 479 . 1 . 1 62 62 ARG HG2 H 1 1.643 0.04 . 2 . . . . A 60 ARG HG2 . 36733 1 480 . 1 . 1 62 62 ARG HG3 H 1 1.643 0.04 . 2 . . . . A 60 ARG HG3 . 36733 1 481 . 1 . 1 62 62 ARG C C 13 175.92 0.20 . 1 . . . . A 60 ARG C . 36733 1 482 . 1 . 1 62 62 ARG CA C 13 55.82 0.20 . 1 . . . . A 60 ARG CA . 36733 1 483 . 1 . 1 62 62 ARG CB C 13 30.88 0.20 . 1 . . . . A 60 ARG CB . 36733 1 484 . 1 . 1 62 62 ARG N N 15 123.567 0.20 . 1 . . . . A 60 ARG N . 36733 1 485 . 1 . 1 63 63 GLU H H 1 8.526 0.04 . 1 . . . . A 61 GLU H . 36733 1 486 . 1 . 1 63 63 GLU HA H 1 4.249 0.04 . 1 . . . . A 61 GLU HA . 36733 1 487 . 1 . 1 63 63 GLU HB2 H 1 1.942 0.04 . 2 . . . . A 61 GLU HB2 . 36733 1 488 . 1 . 1 63 63 GLU HB3 H 1 1.942 0.04 . 2 . . . . A 61 GLU HB3 . 36733 1 489 . 1 . 1 63 63 GLU HG2 H 1 2.281 0.04 . 2 . . . . A 61 GLU HG2 . 36733 1 490 . 1 . 1 63 63 GLU HG3 H 1 2.281 0.04 . 2 . . . . A 61 GLU HG3 . 36733 1 491 . 1 . 1 63 63 GLU C C 13 175.28 0.20 . 1 . . . . A 61 GLU C . 36733 1 492 . 1 . 1 63 63 GLU CA C 13 56.89 0.20 . 1 . . . . A 61 GLU CA . 36733 1 493 . 1 . 1 63 63 GLU CB C 13 30.26 0.20 . 1 . . . . A 61 GLU CB . 36733 1 494 . 1 . 1 63 63 GLU N N 15 123.042 0.20 . 1 . . . . A 61 GLU N . 36733 1 495 . 1 . 1 64 64 LYS H H 1 7.941 0.04 . 1 . . . . A 62 LYS H . 36733 1 496 . 1 . 1 64 64 LYS HA H 1 4.125 0.04 . 1 . . . . A 62 LYS HA . 36733 1 497 . 1 . 1 64 64 LYS HB2 H 1 1.752 0.04 . 2 . . . . A 62 LYS HB2 . 36733 1 498 . 1 . 1 64 64 LYS HB3 H 1 1.752 0.04 . 2 . . . . A 62 LYS HB3 . 36733 1 499 . 1 . 1 64 64 LYS HD2 H 1 1.369 0.04 . 1 . . . . A 62 LYS HD2 . 36733 1 500 . 1 . 1 64 64 LYS C C 13 180.91 0.20 . 1 . . . . A 62 LYS C . 36733 1 501 . 1 . 1 64 64 LYS CA C 13 57.74 0.20 . 1 . . . . A 62 LYS CA . 36733 1 502 . 1 . 1 64 64 LYS CB C 13 33.48 0.20 . 1 . . . . A 62 LYS CB . 36733 1 503 . 1 . 1 64 64 LYS N N 15 126.739 0.20 . 1 . . . . A 62 LYS N . 36733 1 stop_ save_