################################### # 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 30033 _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 DQF-COSY' . . . 30033 1 2 '2D 1H-1H NOESY' . . . 30033 1 3 '2D 1H-1H TOCSY' . . . 30033 1 4 '2D 1H-15N HSQC' . . . 30033 1 6 '3D HNCACB' . . . 30033 1 7 '3D HN(CO)CA' . . . 30033 1 8 '3D HNCA' . . . 30033 1 9 '3D HNCO' . . . 30033 1 10 '3D CBCA(CO)NH' . . . 30033 1 11 '3D 1H-15N NOESY' . . . 30033 1 12 '3D 1H-15N TOCSY' . . . 30033 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30033 1 3 $software_3 . . 30033 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 1 1 VAL HA H 1 3.814 0.020 . . . . . . A 1 VAL HA . 30033 1 2 . 1 . 1 1 1 VAL HB H 1 2.207 0.020 . . . . . . A 1 VAL HB . 30033 1 3 . 1 . 1 1 1 VAL HG11 H 1 0.992 0.020 . . . . . . A 1 VAL HG11 . 30033 1 4 . 1 . 1 1 1 VAL HG12 H 1 0.992 0.020 . . . . . . A 1 VAL HG12 . 30033 1 5 . 1 . 1 1 1 VAL HG13 H 1 0.992 0.020 . . . . . . A 1 VAL HG13 . 30033 1 6 . 1 . 1 1 1 VAL HG21 H 1 1.012 0.020 . . . . . . A 1 VAL HG21 . 30033 1 7 . 1 . 1 1 1 VAL HG22 H 1 1.012 0.020 . . . . . . A 1 VAL HG22 . 30033 1 8 . 1 . 1 1 1 VAL HG23 H 1 1.012 0.020 . . . . . . A 1 VAL HG23 . 30033 1 9 . 1 . 1 1 1 VAL C C 13 172.059 0.300 . . . . . . A 1 VAL C . 30033 1 10 . 1 . 1 1 1 VAL CA C 13 61.127 0.300 . . . . . . A 1 VAL CA . 30033 1 11 . 1 . 1 1 1 VAL CB C 13 32.975 0.300 . . . . . . A 1 VAL CB . 30033 1 12 . 1 . 1 1 1 VAL N N 15 123.086 0.300 . . . . . . A 1 VAL N . 30033 1 13 . 1 . 1 2 2 HIS H H 1 8.913 0.020 . . . . . . A 2 HIS H . 30033 1 14 . 1 . 1 2 2 HIS HA H 1 4.766 0.020 . . . . . . A 2 HIS HA . 30033 1 15 . 1 . 1 2 2 HIS HB2 H 1 3.250 0.020 . . . . . . A 2 HIS HB2 . 30033 1 16 . 1 . 1 2 2 HIS HB3 H 1 3.189 0.020 . . . . . . A 2 HIS HB3 . 30033 1 17 . 1 . 1 2 2 HIS HD2 H 1 7.319 0.020 . . . . . . A 2 HIS HD2 . 30033 1 18 . 1 . 1 2 2 HIS C C 13 173.874 0.300 . . . . . . A 2 HIS C . 30033 1 19 . 1 . 1 2 2 HIS CA C 13 55.230 0.300 . . . . . . A 2 HIS CA . 30033 1 20 . 1 . 1 2 2 HIS CB C 13 28.953 0.300 . . . . . . A 2 HIS CB . 30033 1 21 . 1 . 1 2 2 HIS N N 15 123.184 0.300 . . . . . . A 2 HIS N . 30033 1 22 . 1 . 1 3 3 LYS H H 1 8.597 0.020 . . . . . . A 3 LYS H . 30033 1 23 . 1 . 1 3 3 LYS HA H 1 4.307 0.020 . . . . . . A 3 LYS HA . 30033 1 24 . 1 . 1 3 3 LYS HB2 H 1 1.787 0.020 . . . . . . A 3 LYS HB2 . 30033 1 25 . 1 . 1 3 3 LYS HB3 H 1 1.787 0.020 . . . . . . A 3 LYS HB3 . 30033 1 26 . 1 . 1 3 3 LYS HG2 H 1 1.379 0.020 . . . . . . A 3 LYS HG2 . 30033 1 27 . 1 . 1 3 3 LYS HG3 H 1 1.438 0.020 . . . . . . A 3 LYS HG3 . 30033 1 28 . 1 . 1 3 3 LYS HD2 H 1 1.719 0.020 . . . . . . A 3 LYS HD2 . 30033 1 29 . 1 . 1 3 3 LYS HD3 H 1 1.719 0.020 . . . . . . A 3 LYS HD3 . 30033 1 30 . 1 . 1 3 3 LYS HE2 H 1 2.985 0.020 . . . . . . A 3 LYS HE2 . 30033 1 31 . 1 . 1 3 3 LYS HE3 H 1 2.985 0.020 . . . . . . A 3 LYS HE3 . 30033 1 32 . 1 . 1 3 3 LYS C C 13 176.110 0.300 . . . . . . A 3 LYS C . 30033 1 33 . 1 . 1 3 3 LYS CA C 13 56.385 0.300 . . . . . . A 3 LYS CA . 30033 1 34 . 1 . 1 3 3 LYS CB C 13 33.310 0.300 . . . . . . A 3 LYS CB . 30033 1 35 . 1 . 1 3 3 LYS N N 15 124.726 0.300 . . . . . . A 3 LYS N . 30033 1 36 . 1 . 1 4 4 MET H H 1 8.521 0.020 . . . . . . A 4 MET H . 30033 1 37 . 1 . 1 4 4 MET HA H 1 4.474 0.020 . . . . . . A 4 MET HA . 30033 1 38 . 1 . 1 4 4 MET HB2 H 1 2.595 0.020 . . . . . . A 4 MET HB2 . 30033 1 39 . 1 . 1 4 4 MET HB3 H 1 2.560 0.020 . . . . . . A 4 MET HB3 . 30033 1 40 . 1 . 1 4 4 MET HG2 H 1 2.034 0.020 . . . . . . A 4 MET HG2 . 30033 1 41 . 1 . 1 4 4 MET HG3 H 1 1.991 0.020 . . . . . . A 4 MET HG3 . 30033 1 42 . 1 . 1 4 4 MET C C 13 175.677 0.300 . . . . . . A 4 MET C . 30033 1 43 . 1 . 1 4 4 MET CA C 13 55.230 0.300 . . . . . . A 4 MET CA . 30033 1 44 . 1 . 1 4 4 MET CB C 13 33.310 0.300 . . . . . . A 4 MET CB . 30033 1 45 . 1 . 1 4 4 MET N N 15 122.954 0.300 . . . . . . A 4 MET N . 30033 1 46 . 1 . 1 5 5 ALA H H 1 8.453 0.020 . . . . . . A 5 ALA H . 30033 1 47 . 1 . 1 5 5 ALA HA H 1 4.351 0.020 . . . . . . A 5 ALA HA . 30033 1 48 . 1 . 1 5 5 ALA HB1 H 1 1.413 0.020 . . . . . . A 5 ALA HB1 . 30033 1 49 . 1 . 1 5 5 ALA HB2 H 1 1.413 0.020 . . . . . . A 5 ALA HB2 . 30033 1 50 . 1 . 1 5 5 ALA HB3 H 1 1.413 0.020 . . . . . . A 5 ALA HB3 . 30033 1 51 . 1 . 1 5 5 ALA C C 13 177.560 0.300 . . . . . . A 5 ALA C . 30033 1 52 . 1 . 1 5 5 ALA CA C 13 52.503 0.300 . . . . . . A 5 ALA CA . 30033 1 53 . 1 . 1 5 5 ALA CB C 13 19.569 0.300 . . . . . . A 5 ALA CB . 30033 1 54 . 1 . 1 5 5 ALA N N 15 126.710 0.300 . . . . . . A 5 ALA N . 30033 1 55 . 1 . 1 6 6 LYS H H 1 8.437 0.020 . . . . . . A 6 LYS H . 30033 1 56 . 1 . 1 6 6 LYS HA H 1 4.220 0.020 . . . . . . A 6 LYS HA . 30033 1 57 . 1 . 1 6 6 LYS HB2 H 1 1.794 0.020 . . . . . . A 6 LYS HB2 . 30033 1 58 . 1 . 1 6 6 LYS HB3 H 1 1.733 0.020 . . . . . . A 6 LYS HB3 . 30033 1 59 . 1 . 1 6 6 LYS HG2 H 1 1.464 0.020 . . . . . . A 6 LYS HG2 . 30033 1 60 . 1 . 1 6 6 LYS HG3 H 1 1.394 0.020 . . . . . . A 6 LYS HG3 . 30033 1 61 . 1 . 1 6 6 LYS HD2 H 1 1.681 0.020 . . . . . . A 6 LYS HD2 . 30033 1 62 . 1 . 1 6 6 LYS HD3 H 1 1.681 0.020 . . . . . . A 6 LYS HD3 . 30033 1 63 . 1 . 1 6 6 LYS HE2 H 1 2.993 0.020 . . . . . . A 6 LYS HE2 . 30033 1 64 . 1 . 1 6 6 LYS HE3 H 1 2.993 0.020 . . . . . . A 6 LYS HE3 . 30033 1 65 . 1 . 1 6 6 LYS HZ1 H 1 7.543 0.020 . . . . . . A 6 LYS HZ1 . 30033 1 66 . 1 . 1 6 6 LYS HZ2 H 1 7.543 0.020 . . . . . . A 6 LYS HZ2 . 30033 1 67 . 1 . 1 6 6 LYS HZ3 H 1 7.543 0.020 . . . . . . A 6 LYS HZ3 . 30033 1 68 . 1 . 1 6 6 LYS C C 13 176.367 0.300 . . . . . . A 6 LYS C . 30033 1 69 . 1 . 1 6 6 LYS CA C 13 56.818 0.300 . . . . . . A 6 LYS CA . 30033 1 70 . 1 . 1 6 6 LYS CB C 13 32.807 0.300 . . . . . . A 6 LYS CB . 30033 1 71 . 1 . 1 6 6 LYS N N 15 121.367 0.300 . . . . . . A 6 LYS N . 30033 1 72 . 1 . 1 7 7 ASN H H 1 8.409 0.020 . . . . . . A 7 ASN H . 30033 1 73 . 1 . 1 7 7 ASN HA H 1 4.631 0.020 . . . . . . A 7 ASN HA . 30033 1 74 . 1 . 1 7 7 ASN HB2 H 1 2.917 0.020 . . . . . . A 7 ASN HB2 . 30033 1 75 . 1 . 1 7 7 ASN HB3 H 1 2.917 0.020 . . . . . . A 7 ASN HB3 . 30033 1 76 . 1 . 1 7 7 ASN HD21 H 1 7.538 0.020 . . . . . . A 7 ASN HD21 . 30033 1 77 . 1 . 1 7 7 ASN HD22 H 1 6.913 0.020 . . . . . . A 7 ASN HD22 . 30033 1 78 . 1 . 1 7 7 ASN C C 13 174.595 0.300 . . . . . . A 7 ASN C . 30033 1 79 . 1 . 1 7 7 ASN CA C 13 53.505 0.300 . . . . . . A 7 ASN CA . 30033 1 80 . 1 . 1 7 7 ASN CB C 13 38.337 0.300 . . . . . . A 7 ASN CB . 30033 1 81 . 1 . 1 7 7 ASN N N 15 119.016 0.300 . . . . . . A 7 ASN N . 30033 1 82 . 1 . 1 7 7 ASN ND2 N 15 112.263 0.300 . . . . . . A 7 ASN ND2 . 30033 1 83 . 1 . 1 8 8 GLN H H 1 8.194 0.020 . . . . . . A 8 GLN H . 30033 1 84 . 1 . 1 8 8 GLN HA H 1 4.365 0.020 . . . . . . A 8 GLN HA . 30033 1 85 . 1 . 1 8 8 GLN HB2 H 1 2.061 0.020 . . . . . . A 8 GLN HB2 . 30033 1 86 . 1 . 1 8 8 GLN HB3 H 1 1.992 0.020 . . . . . . A 8 GLN HB3 . 30033 1 87 . 1 . 1 8 8 GLN HG2 H 1 2.218 0.020 . . . . . . A 8 GLN HG2 . 30033 1 88 . 1 . 1 8 8 GLN HG3 H 1 2.567 0.020 . . . . . . A 8 GLN HG3 . 30033 1 89 . 1 . 1 8 8 GLN HE21 H 1 7.546 0.020 . . . . . . A 8 GLN HE21 . 30033 1 90 . 1 . 1 8 8 GLN HE22 H 1 6.862 0.020 . . . . . . A 8 GLN HE22 . 30033 1 91 . 1 . 1 8 8 GLN C C 13 175.990 0.300 . . . . . . A 8 GLN C . 30033 1 92 . 1 . 1 8 8 GLN CA C 13 56.889 0.300 . . . . . . A 8 GLN CA . 30033 1 93 . 1 . 1 8 8 GLN CB C 13 29.288 0.300 . . . . . . A 8 GLN CB . 30033 1 94 . 1 . 1 8 8 GLN N N 15 121.234 0.300 . . . . . . A 8 GLN N . 30033 1 95 . 1 . 1 8 8 GLN NE2 N 15 110.968 0.300 . . . . . . A 8 GLN NE2 . 30033 1 96 . 1 . 1 9 9 PHE H H 1 8.322 0.020 . . . . . . A 9 PHE H . 30033 1 97 . 1 . 1 9 9 PHE HA H 1 4.128 0.020 . . . . . . A 9 PHE HA . 30033 1 98 . 1 . 1 9 9 PHE HB2 H 1 3.034 0.020 . . . . . . A 9 PHE HB2 . 30033 1 99 . 1 . 1 9 9 PHE HB3 H 1 2.707 0.020 . . . . . . A 9 PHE HB3 . 30033 1 100 . 1 . 1 9 9 PHE HD1 H 1 6.917 0.020 . . . . . . A 9 PHE HD1 . 30033 1 101 . 1 . 1 9 9 PHE HD2 H 1 6.907 0.020 . . . . . . A 9 PHE HD2 . 30033 1 102 . 1 . 1 9 9 PHE HE1 H 1 7.008 0.020 . . . . . . A 9 PHE HE1 . 30033 1 103 . 1 . 1 9 9 PHE HE2 H 1 6.997 0.020 . . . . . . A 9 PHE HE2 . 30033 1 104 . 1 . 1 9 9 PHE HZ H 1 6.812 0.020 . . . . . . A 9 PHE HZ . 30033 1 105 . 1 . 1 9 9 PHE C C 13 174.884 0.300 . . . . . . A 9 PHE C . 30033 1 106 . 1 . 1 9 9 PHE CA C 13 59.200 0.300 . . . . . . A 9 PHE CA . 30033 1 107 . 1 . 1 9 9 PHE CB C 13 37.419 0.300 . . . . . . A 9 PHE CB . 30033 1 108 . 1 . 1 9 9 PHE N N 15 116.314 0.300 . . . . . . A 9 PHE N . 30033 1 109 . 1 . 1 10 10 GLY H H 1 8.062 0.020 . . . . . . A 10 GLY H . 30033 1 110 . 1 . 1 10 10 GLY HA2 H 1 4.051 0.020 . . . . . . A 10 GLY HA2 . 30033 1 111 . 1 . 1 10 10 GLY HA3 H 1 3.672 0.020 . . . . . . A 10 GLY HA3 . 30033 1 112 . 1 . 1 10 10 GLY C C 13 174.306 0.300 . . . . . . A 10 GLY C . 30033 1 113 . 1 . 1 10 10 GLY CA C 13 46.278 0.300 . . . . . . A 10 GLY CA . 30033 1 114 . 1 . 1 10 10 GLY N N 15 103.366 0.300 . . . . . . A 10 GLY N . 30033 1 115 . 1 . 1 11 11 CYS H H 1 7.925 0.020 . . . . . . A 11 CYS H . 30033 1 116 . 1 . 1 11 11 CYS HA H 1 5.129 0.020 . . . . . . A 11 CYS HA . 30033 1 117 . 1 . 1 11 11 CYS HB2 H 1 2.719 0.020 . . . . . . A 11 CYS HB2 . 30033 1 118 . 1 . 1 11 11 CYS HB3 H 1 2.870 0.020 . . . . . . A 11 CYS HB3 . 30033 1 119 . 1 . 1 11 11 CYS C C 13 175.111 0.300 . . . . . . A 11 CYS C . 30033 1 120 . 1 . 1 11 11 CYS CA C 13 55.446 0.300 . . . . . . A 11 CYS CA . 30033 1 121 . 1 . 1 11 11 CYS CB C 13 35.991 0.300 . . . . . . A 11 CYS CB . 30033 1 122 . 1 . 1 11 11 CYS N N 15 119.211 0.300 . . . . . . A 11 CYS N . 30033 1 123 . 1 . 1 12 12 PHE H H 1 8.990 0.020 . . . . . . A 12 PHE H . 30033 1 124 . 1 . 1 12 12 PHE HA H 1 4.299 0.020 . . . . . . A 12 PHE HA . 30033 1 125 . 1 . 1 12 12 PHE HB2 H 1 3.075 0.020 . . . . . . A 12 PHE HB2 . 30033 1 126 . 1 . 1 12 12 PHE HB3 H 1 2.873 0.020 . . . . . . A 12 PHE HB3 . 30033 1 127 . 1 . 1 12 12 PHE HD1 H 1 7.259 0.020 . . . . . . A 12 PHE HD1 . 30033 1 128 . 1 . 1 12 12 PHE HD2 H 1 7.248 0.020 . . . . . . A 12 PHE HD2 . 30033 1 129 . 1 . 1 12 12 PHE HE1 H 1 7.374 0.020 . . . . . . A 12 PHE HE1 . 30033 1 130 . 1 . 1 12 12 PHE HE2 H 1 7.364 0.020 . . . . . . A 12 PHE HE2 . 30033 1 131 . 1 . 1 12 12 PHE C C 13 175.749 0.300 . . . . . . A 12 PHE C . 30033 1 132 . 1 . 1 12 12 PHE CA C 13 59.778 0.300 . . . . . . A 12 PHE CA . 30033 1 133 . 1 . 1 12 12 PHE CB C 13 41.856 0.300 . . . . . . A 12 PHE CB . 30033 1 134 . 1 . 1 12 12 PHE N N 15 121.725 0.300 . . . . . . A 12 PHE N . 30033 1 135 . 1 . 1 13 13 ALA H H 1 7.968 0.020 . . . . . . A 13 ALA H . 30033 1 136 . 1 . 1 13 13 ALA HA H 1 3.738 0.020 . . . . . . A 13 ALA HA . 30033 1 137 . 1 . 1 13 13 ALA HB1 H 1 1.097 0.020 . . . . . . A 13 ALA HB1 . 30033 1 138 . 1 . 1 13 13 ALA HB2 H 1 1.097 0.020 . . . . . . A 13 ALA HB2 . 30033 1 139 . 1 . 1 13 13 ALA HB3 H 1 1.097 0.020 . . . . . . A 13 ALA HB3 . 30033 1 140 . 1 . 1 13 13 ALA C C 13 176.038 0.300 . . . . . . A 13 ALA C . 30033 1 141 . 1 . 1 13 13 ALA CA C 13 53.505 0.300 . . . . . . A 13 ALA CA . 30033 1 142 . 1 . 1 13 13 ALA CB C 13 16.720 0.300 . . . . . . A 13 ALA CB . 30033 1 143 . 1 . 1 13 13 ALA N N 15 131.722 0.300 . . . . . . A 13 ALA N . 30033 1 144 . 1 . 1 14 14 ASN H H 1 8.031 0.020 . . . . . . A 14 ASN H . 30033 1 145 . 1 . 1 14 14 ASN HA H 1 3.925 0.020 . . . . . . A 14 ASN HA . 30033 1 146 . 1 . 1 14 14 ASN HB2 H 1 3.207 0.020 . . . . . . A 14 ASN HB2 . 30033 1 147 . 1 . 1 14 14 ASN HB3 H 1 3.508 0.020 . . . . . . A 14 ASN HB3 . 30033 1 148 . 1 . 1 14 14 ASN HD21 H 1 7.609 0.020 . . . . . . A 14 ASN HD21 . 30033 1 149 . 1 . 1 14 14 ASN HD22 H 1 6.967 0.020 . . . . . . A 14 ASN HD22 . 30033 1 150 . 1 . 1 14 14 ASN C C 13 174.018 0.300 . . . . . . A 14 ASN C . 30033 1 151 . 1 . 1 14 14 ASN CA C 13 55.761 0.300 . . . . . . A 14 ASN CA . 30033 1 152 . 1 . 1 14 14 ASN CB C 13 38.002 0.300 . . . . . . A 14 ASN CB . 30033 1 153 . 1 . 1 14 14 ASN N N 15 104.151 0.300 . . . . . . A 14 ASN N . 30033 1 154 . 1 . 1 14 14 ASN ND2 N 15 115.140 0.300 . . . . . . A 14 ASN ND2 . 30033 1 155 . 1 . 1 15 15 VAL H H 1 8.404 0.020 . . . . . . A 15 VAL H . 30033 1 156 . 1 . 1 15 15 VAL HA H 1 4.189 0.020 . . . . . . A 15 VAL HA . 30033 1 157 . 1 . 1 15 15 VAL HB H 1 2.344 0.020 . . . . . . A 15 VAL HB . 30033 1 158 . 1 . 1 15 15 VAL HG11 H 1 0.922 0.020 . . . . . . A 15 VAL HG11 . 30033 1 159 . 1 . 1 15 15 VAL HG12 H 1 0.922 0.020 . . . . . . A 15 VAL HG12 . 30033 1 160 . 1 . 1 15 15 VAL HG13 H 1 0.922 0.020 . . . . . . A 15 VAL HG13 . 30033 1 161 . 1 . 1 15 15 VAL HG21 H 1 1.013 0.020 . . . . . . A 15 VAL HG21 . 30033 1 162 . 1 . 1 15 15 VAL HG22 H 1 1.013 0.020 . . . . . . A 15 VAL HG22 . 30033 1 163 . 1 . 1 15 15 VAL HG23 H 1 1.013 0.020 . . . . . . A 15 VAL HG23 . 30033 1 164 . 1 . 1 15 15 VAL C C 13 174.667 0.300 . . . . . . A 15 VAL C . 30033 1 165 . 1 . 1 15 15 VAL CA C 13 62.089 0.300 . . . . . . A 15 VAL CA . 30033 1 166 . 1 . 1 15 15 VAL CB C 13 33.310 0.300 . . . . . . A 15 VAL CB . 30033 1 167 . 1 . 1 15 15 VAL N N 15 123.160 0.300 . . . . . . A 15 VAL N . 30033 1 168 . 1 . 1 16 16 ASP H H 1 8.948 0.020 . . . . . . A 16 ASP H . 30033 1 169 . 1 . 1 16 16 ASP HA H 1 4.961 0.020 . . . . . . A 16 ASP HA . 30033 1 170 . 1 . 1 16 16 ASP HB2 H 1 3.096 0.020 . . . . . . A 16 ASP HB2 . 30033 1 171 . 1 . 1 16 16 ASP HB3 H 1 2.580 0.020 . . . . . . A 16 ASP HB3 . 30033 1 172 . 1 . 1 16 16 ASP C C 13 177.673 0.300 . . . . . . A 16 ASP C . 30033 1 173 . 1 . 1 16 16 ASP CA C 13 52.236 0.300 . . . . . . A 16 ASP CA . 30033 1 174 . 1 . 1 16 16 ASP CB C 13 39.007 0.300 . . . . . . A 16 ASP CB . 30033 1 175 . 1 . 1 16 16 ASP N N 15 128.572 0.300 . . . . . . A 16 ASP N . 30033 1 176 . 1 . 1 17 17 VAL H H 1 7.851 0.020 . . . . . . A 17 VAL H . 30033 1 177 . 1 . 1 17 17 VAL HA H 1 3.540 0.020 . . . . . . A 17 VAL HA . 30033 1 178 . 1 . 1 17 17 VAL HB H 1 2.227 0.020 . . . . . . A 17 VAL HB . 30033 1 179 . 1 . 1 17 17 VAL HG11 H 1 1.025 0.020 . . . . . . A 17 VAL HG11 . 30033 1 180 . 1 . 1 17 17 VAL HG12 H 1 1.025 0.020 . . . . . . A 17 VAL HG12 . 30033 1 181 . 1 . 1 17 17 VAL HG13 H 1 1.025 0.020 . . . . . . A 17 VAL HG13 . 30033 1 182 . 1 . 1 17 17 VAL HG21 H 1 1.309 0.020 . . . . . . A 17 VAL HG21 . 30033 1 183 . 1 . 1 17 17 VAL HG22 H 1 1.309 0.020 . . . . . . A 17 VAL HG22 . 30033 1 184 . 1 . 1 17 17 VAL HG23 H 1 1.309 0.020 . . . . . . A 17 VAL HG23 . 30033 1 185 . 1 . 1 17 17 VAL C C 13 177.356 0.300 . . . . . . A 17 VAL C . 30033 1 186 . 1 . 1 17 17 VAL CA C 13 67.441 0.300 . . . . . . A 17 VAL CA . 30033 1 187 . 1 . 1 17 17 VAL CB C 13 32.400 0.300 . . . . . . A 17 VAL CB . 30033 1 188 . 1 . 1 17 17 VAL N N 15 124.366 0.300 . . . . . . A 17 VAL N . 30033 1 189 . 1 . 1 18 18 LYS H H 1 8.930 0.020 . . . . . . A 18 LYS H . 30033 1 190 . 1 . 1 18 18 LYS HA H 1 4.627 0.020 . . . . . . A 18 LYS HA . 30033 1 191 . 1 . 1 18 18 LYS HB2 H 1 2.092 0.020 . . . . . . A 18 LYS HB2 . 30033 1 192 . 1 . 1 18 18 LYS HB3 H 1 2.092 0.020 . . . . . . A 18 LYS HB3 . 30033 1 193 . 1 . 1 18 18 LYS HG2 H 1 1.523 0.020 . . . . . . A 18 LYS HG2 . 30033 1 194 . 1 . 1 18 18 LYS HG3 H 1 1.441 0.020 . . . . . . A 18 LYS HG3 . 30033 1 195 . 1 . 1 18 18 LYS HD2 H 1 1.759 0.020 . . . . . . A 18 LYS HD2 . 30033 1 196 . 1 . 1 18 18 LYS HD3 H 1 1.759 0.020 . . . . . . A 18 LYS HD3 . 30033 1 197 . 1 . 1 18 18 LYS HE2 H 1 3.023 0.020 . . . . . . A 18 LYS HE2 . 30033 1 198 . 1 . 1 18 18 LYS HE3 H 1 3.023 0.020 . . . . . . A 18 LYS HE3 . 30033 1 199 . 1 . 1 18 18 LYS HZ1 H 1 7.142 0.020 . . . . . . A 18 LYS HZ1 . 30033 1 200 . 1 . 1 18 18 LYS HZ2 H 1 7.142 0.020 . . . . . . A 18 LYS HZ2 . 30033 1 201 . 1 . 1 18 18 LYS HZ3 H 1 7.142 0.020 . . . . . . A 18 LYS HZ3 . 30033 1 202 . 1 . 1 18 18 LYS C C 13 176.896 0.300 . . . . . . A 18 LYS C . 30033 1 203 . 1 . 1 18 18 LYS CA C 13 54.802 0.300 . . . . . . A 18 LYS CA . 30033 1 204 . 1 . 1 18 18 LYS CB C 13 33.185 0.300 . . . . . . A 18 LYS CB . 30033 1 205 . 1 . 1 18 18 LYS N N 15 115.731 0.300 . . . . . . A 18 LYS N . 30033 1 206 . 1 . 1 19 19 GLY H H 1 7.372 0.020 . . . . . . A 19 GLY H . 30033 1 207 . 1 . 1 19 19 GLY HA2 H 1 4.142 0.020 . . . . . . A 19 GLY HA2 . 30033 1 208 . 1 . 1 19 19 GLY HA3 H 1 3.730 0.020 . . . . . . A 19 GLY HA3 . 30033 1 209 . 1 . 1 19 19 GLY C C 13 175.206 0.300 . . . . . . A 19 GLY C . 30033 1 210 . 1 . 1 19 19 GLY CA C 13 46.086 0.300 . . . . . . A 19 GLY CA . 30033 1 211 . 1 . 1 19 19 GLY N N 15 107.761 0.300 . . . . . . A 19 GLY N . 30033 1 212 . 1 . 1 20 20 ASP H H 1 8.187 0.020 . . . . . . A 20 ASP H . 30033 1 213 . 1 . 1 20 20 ASP HA H 1 4.602 0.020 . . . . . . A 20 ASP HA . 30033 1 214 . 1 . 1 20 20 ASP HB2 H 1 3.783 0.020 . . . . . . A 20 ASP HB2 . 30033 1 215 . 1 . 1 20 20 ASP HB3 H 1 3.783 0.020 . . . . . . A 20 ASP HB3 . 30033 1 216 . 1 . 1 20 20 ASP C C 13 177.875 0.300 . . . . . . A 20 ASP C . 30033 1 217 . 1 . 1 20 20 ASP CA C 13 56.330 0.300 . . . . . . A 20 ASP CA . 30033 1 218 . 1 . 1 20 20 ASP CB C 13 38.692 0.300 . . . . . . A 20 ASP CB . 30033 1 219 . 1 . 1 20 20 ASP N N 15 119.252 0.300 . . . . . . A 20 ASP N . 30033 1 220 . 1 . 1 21 21 CYS H H 1 10.470 0.020 . . . . . . A 21 CYS H . 30033 1 221 . 1 . 1 21 21 CYS HA H 1 4.610 0.020 . . . . . . A 21 CYS HA . 30033 1 222 . 1 . 1 21 21 CYS HB2 H 1 2.586 0.020 . . . . . . A 21 CYS HB2 . 30033 1 223 . 1 . 1 21 21 CYS HB3 H 1 3.169 0.020 . . . . . . A 21 CYS HB3 . 30033 1 224 . 1 . 1 21 21 CYS C C 13 176.493 0.300 . . . . . . A 21 CYS C . 30033 1 225 . 1 . 1 21 21 CYS CA C 13 58.142 0.300 . . . . . . A 21 CYS CA . 30033 1 226 . 1 . 1 21 21 CYS CB C 13 35.317 0.300 . . . . . . A 21 CYS CB . 30033 1 227 . 1 . 1 21 21 CYS N N 15 127.565 0.300 . . . . . . A 21 CYS N . 30033 1 228 . 1 . 1 22 22 LYS H H 1 9.488 0.020 . . . . . . A 22 LYS H . 30033 1 229 . 1 . 1 22 22 LYS HA H 1 3.752 0.020 . . . . . . A 22 LYS HA . 30033 1 230 . 1 . 1 22 22 LYS HB2 H 1 1.996 0.020 . . . . . . A 22 LYS HB2 . 30033 1 231 . 1 . 1 22 22 LYS HB3 H 1 1.826 0.020 . . . . . . A 22 LYS HB3 . 30033 1 232 . 1 . 1 22 22 LYS HG2 H 1 1.390 0.020 . . . . . . A 22 LYS HG2 . 30033 1 233 . 1 . 1 22 22 LYS HG3 H 1 1.390 0.020 . . . . . . A 22 LYS HG3 . 30033 1 234 . 1 . 1 22 22 LYS HD2 H 1 1.634 0.020 . . . . . . A 22 LYS HD2 . 30033 1 235 . 1 . 1 22 22 LYS HD3 H 1 1.634 0.020 . . . . . . A 22 LYS HD3 . 30033 1 236 . 1 . 1 22 22 LYS HE2 H 1 3.099 0.020 . . . . . . A 22 LYS HE2 . 30033 1 237 . 1 . 1 22 22 LYS HE3 H 1 3.099 0.020 . . . . . . A 22 LYS HE3 . 30033 1 238 . 1 . 1 22 22 LYS HZ1 H 1 7.670 0.020 . . . . . . A 22 LYS HZ1 . 30033 1 239 . 1 . 1 22 22 LYS HZ2 H 1 7.670 0.020 . . . . . . A 22 LYS HZ2 . 30033 1 240 . 1 . 1 22 22 LYS HZ3 H 1 7.670 0.020 . . . . . . A 22 LYS HZ3 . 30033 1 241 . 1 . 1 22 22 LYS C C 13 180.136 0.300 . . . . . . A 22 LYS C . 30033 1 242 . 1 . 1 22 22 LYS CA C 13 60.803 0.300 . . . . . . A 22 LYS CA . 30033 1 243 . 1 . 1 22 22 LYS CB C 13 31.799 0.300 . . . . . . A 22 LYS CB . 30033 1 244 . 1 . 1 22 22 LYS N N 15 123.352 0.300 . . . . . . A 22 LYS N . 30033 1 245 . 1 . 1 23 23 ARG H H 1 7.916 0.020 . . . . . . A 23 ARG H . 30033 1 246 . 1 . 1 23 23 ARG HA H 1 3.970 0.020 . . . . . . A 23 ARG HA . 30033 1 247 . 1 . 1 23 23 ARG HB2 H 1 1.889 0.020 . . . . . . A 23 ARG HB2 . 30033 1 248 . 1 . 1 23 23 ARG HB3 H 1 1.963 0.020 . . . . . . A 23 ARG HB3 . 30033 1 249 . 1 . 1 23 23 ARG HG2 H 1 0.942 0.020 . . . . . . A 23 ARG HG2 . 30033 1 250 . 1 . 1 23 23 ARG HG3 H 1 0.942 0.020 . . . . . . A 23 ARG HG3 . 30033 1 251 . 1 . 1 23 23 ARG HD2 H 1 3.333 0.020 . . . . . . A 23 ARG HD2 . 30033 1 252 . 1 . 1 23 23 ARG HD3 H 1 3.270 0.020 . . . . . . A 23 ARG HD3 . 30033 1 253 . 1 . 1 23 23 ARG HE H 1 7.337 0.020 . . . . . . A 23 ARG HE . 30033 1 254 . 1 . 1 23 23 ARG C C 13 178.493 0.300 . . . . . . A 23 ARG C . 30033 1 255 . 1 . 1 23 23 ARG CA C 13 60.577 0.300 . . . . . . A 23 ARG CA . 30033 1 256 . 1 . 1 23 23 ARG CB C 13 30.874 0.300 . . . . . . A 23 ARG CB . 30033 1 257 . 1 . 1 23 23 ARG N N 15 118.015 0.300 . . . . . . A 23 ARG N . 30033 1 258 . 1 . 1 24 24 HIS H H 1 8.142 0.020 . . . . . . A 24 HIS H . 30033 1 259 . 1 . 1 24 24 HIS HA H 1 4.269 0.020 . . . . . . A 24 HIS HA . 30033 1 260 . 1 . 1 24 24 HIS HB2 H 1 3.018 0.020 . . . . . . A 24 HIS HB2 . 30033 1 261 . 1 . 1 24 24 HIS HB3 H 1 3.018 0.020 . . . . . . A 24 HIS HB3 . 30033 1 262 . 1 . 1 24 24 HIS HD2 H 1 6.518 0.020 . . . . . . A 24 HIS HD2 . 30033 1 263 . 1 . 1 24 24 HIS C C 13 176.958 0.300 . . . . . . A 24 HIS C . 30033 1 264 . 1 . 1 24 24 HIS CA C 13 58.570 0.300 . . . . . . A 24 HIS CA . 30033 1 265 . 1 . 1 24 24 HIS CB C 13 27.741 0.300 . . . . . . A 24 HIS CB . 30033 1 266 . 1 . 1 24 24 HIS N N 15 119.673 0.300 . . . . . . A 24 HIS N . 30033 1 267 . 1 . 1 25 25 CYS H H 1 8.237 0.020 . . . . . . A 25 CYS H . 30033 1 268 . 1 . 1 25 25 CYS HA H 1 4.042 0.020 . . . . . . A 25 CYS HA . 30033 1 269 . 1 . 1 25 25 CYS HB2 H 1 2.153 0.020 . . . . . . A 25 CYS HB2 . 30033 1 270 . 1 . 1 25 25 CYS HB3 H 1 2.357 0.020 . . . . . . A 25 CYS HB3 . 30033 1 271 . 1 . 1 25 25 CYS C C 13 177.831 0.300 . . . . . . A 25 CYS C . 30033 1 272 . 1 . 1 25 25 CYS CA C 13 56.001 0.300 . . . . . . A 25 CYS CA . 30033 1 273 . 1 . 1 25 25 CYS CB C 13 35.978 0.300 . . . . . . A 25 CYS CB . 30033 1 274 . 1 . 1 25 25 CYS N N 15 115.849 0.300 . . . . . . A 25 CYS N . 30033 1 275 . 1 . 1 26 26 LYS H H 1 8.474 0.020 . . . . . . A 26 LYS H . 30033 1 276 . 1 . 1 26 26 LYS HA H 1 4.130 0.020 . . . . . . A 26 LYS HA . 30033 1 277 . 1 . 1 26 26 LYS HB2 H 1 2.020 0.020 . . . . . . A 26 LYS HB2 . 30033 1 278 . 1 . 1 26 26 LYS HB3 H 1 1.986 0.020 . . . . . . A 26 LYS HB3 . 30033 1 279 . 1 . 1 26 26 LYS HG2 H 1 1.468 0.020 . . . . . . A 26 LYS HG2 . 30033 1 280 . 1 . 1 26 26 LYS HG3 H 1 1.401 0.020 . . . . . . A 26 LYS HG3 . 30033 1 281 . 1 . 1 26 26 LYS HD2 H 1 1.718 0.020 . . . . . . A 26 LYS HD2 . 30033 1 282 . 1 . 1 26 26 LYS HD3 H 1 1.637 0.020 . . . . . . A 26 LYS HD3 . 30033 1 283 . 1 . 1 26 26 LYS HE2 H 1 2.989 0.020 . . . . . . A 26 LYS HE2 . 30033 1 284 . 1 . 1 26 26 LYS HE3 H 1 2.989 0.020 . . . . . . A 26 LYS HE3 . 30033 1 285 . 1 . 1 26 26 LYS C C 13 179.633 0.300 . . . . . . A 26 LYS C . 30033 1 286 . 1 . 1 26 26 LYS CA C 13 59.705 0.300 . . . . . . A 26 LYS CA . 30033 1 287 . 1 . 1 26 26 LYS CB C 13 31.969 0.300 . . . . . . A 26 LYS CB . 30033 1 288 . 1 . 1 26 26 LYS N N 15 125.012 0.300 . . . . . . A 26 LYS N . 30033 1 289 . 1 . 1 27 27 ALA H H 1 7.257 0.020 . . . . . . A 27 ALA H . 30033 1 290 . 1 . 1 27 27 ALA HA H 1 4.264 0.020 . . . . . . A 27 ALA HA . 30033 1 291 . 1 . 1 27 27 ALA HB1 H 1 1.515 0.020 . . . . . . A 27 ALA HB1 . 30033 1 292 . 1 . 1 27 27 ALA HB2 H 1 1.515 0.020 . . . . . . A 27 ALA HB2 . 30033 1 293 . 1 . 1 27 27 ALA HB3 H 1 1.515 0.020 . . . . . . A 27 ALA HB3 . 30033 1 294 . 1 . 1 27 27 ALA C C 13 178.063 0.300 . . . . . . A 27 ALA C . 30033 1 295 . 1 . 1 27 27 ALA CA C 13 54.580 0.300 . . . . . . A 27 ALA CA . 30033 1 296 . 1 . 1 27 27 ALA CB C 13 17.893 0.300 . . . . . . A 27 ALA CB . 30033 1 297 . 1 . 1 27 27 ALA N N 15 122.198 0.300 . . . . . . A 27 ALA N . 30033 1 298 . 1 . 1 28 28 GLU H H 1 7.309 0.020 . . . . . . A 28 GLU H . 30033 1 299 . 1 . 1 28 28 GLU HA H 1 4.575 0.020 . . . . . . A 28 GLU HA . 30033 1 300 . 1 . 1 28 28 GLU HB2 H 1 1.952 0.020 . . . . . . A 28 GLU HB2 . 30033 1 301 . 1 . 1 28 28 GLU HB3 H 1 2.221 0.020 . . . . . . A 28 GLU HB3 . 30033 1 302 . 1 . 1 28 28 GLU HG2 H 1 2.239 0.020 . . . . . . A 28 GLU HG2 . 30033 1 303 . 1 . 1 28 28 GLU HG3 H 1 2.345 0.020 . . . . . . A 28 GLU HG3 . 30033 1 304 . 1 . 1 28 28 GLU C C 13 174.734 0.300 . . . . . . A 28 GLU C . 30033 1 305 . 1 . 1 28 28 GLU CA C 13 54.075 0.300 . . . . . . A 28 GLU CA . 30033 1 306 . 1 . 1 28 28 GLU CB C 13 28.283 0.300 . . . . . . A 28 GLU CB . 30033 1 307 . 1 . 1 28 28 GLU N N 15 114.358 0.300 . . . . . . A 28 GLU N . 30033 1 308 . 1 . 1 29 29 ASP H H 1 8.272 0.020 . . . . . . A 29 ASP H . 30033 1 309 . 1 . 1 29 29 ASP HA H 1 4.362 0.020 . . . . . . A 29 ASP HA . 30033 1 310 . 1 . 1 29 29 ASP HB2 H 1 2.890 0.020 . . . . . . A 29 ASP HB2 . 30033 1 311 . 1 . 1 29 29 ASP HB3 H 1 3.323 0.020 . . . . . . A 29 ASP HB3 . 30033 1 312 . 1 . 1 29 29 ASP C C 13 174.451 0.300 . . . . . . A 29 ASP C . 30033 1 313 . 1 . 1 29 29 ASP CA C 13 54.436 0.300 . . . . . . A 29 ASP CA . 30033 1 314 . 1 . 1 29 29 ASP CB C 13 36.494 0.300 . . . . . . A 29 ASP CB . 30033 1 315 . 1 . 1 29 29 ASP N N 15 115.911 0.300 . . . . . . A 29 ASP N . 30033 1 316 . 1 . 1 30 30 LYS H H 1 7.866 0.020 . . . . . . A 30 LYS H . 30033 1 317 . 1 . 1 30 30 LYS HA H 1 4.823 0.020 . . . . . . A 30 LYS HA . 30033 1 318 . 1 . 1 30 30 LYS HB2 H 1 1.757 0.020 . . . . . . A 30 LYS HB2 . 30033 1 319 . 1 . 1 30 30 LYS HB3 H 1 1.757 0.020 . . . . . . A 30 LYS HB3 . 30033 1 320 . 1 . 1 30 30 LYS HG2 H 1 1.455 0.020 . . . . . . A 30 LYS HG2 . 30033 1 321 . 1 . 1 30 30 LYS HG3 H 1 1.455 0.020 . . . . . . A 30 LYS HG3 . 30033 1 322 . 1 . 1 30 30 LYS HD2 H 1 1.132 0.020 . . . . . . A 30 LYS HD2 . 30033 1 323 . 1 . 1 30 30 LYS HD3 H 1 1.132 0.020 . . . . . . A 30 LYS HD3 . 30033 1 324 . 1 . 1 30 30 LYS HE2 H 1 2.965 0.020 . . . . . . A 30 LYS HE2 . 30033 1 325 . 1 . 1 30 30 LYS HE3 H 1 2.965 0.020 . . . . . . A 30 LYS HE3 . 30033 1 326 . 1 . 1 30 30 LYS HZ1 H 1 7.568 0.020 . . . . . . A 30 LYS HZ1 . 30033 1 327 . 1 . 1 30 30 LYS HZ2 H 1 7.568 0.020 . . . . . . A 30 LYS HZ2 . 30033 1 328 . 1 . 1 30 30 LYS HZ3 H 1 7.568 0.020 . . . . . . A 30 LYS HZ3 . 30033 1 329 . 1 . 1 30 30 LYS C C 13 175.533 0.300 . . . . . . A 30 LYS C . 30033 1 330 . 1 . 1 30 30 LYS CA C 13 55.260 0.300 . . . . . . A 30 LYS CA . 30033 1 331 . 1 . 1 30 30 LYS CB C 13 38.840 0.300 . . . . . . A 30 LYS CB . 30033 1 332 . 1 . 1 30 30 LYS N N 15 116.975 0.300 . . . . . . A 30 LYS N . 30033 1 333 . 1 . 1 31 31 GLU H H 1 8.669 0.020 . . . . . . A 31 GLU H . 30033 1 334 . 1 . 1 31 31 GLU HA H 1 4.290 0.020 . . . . . . A 31 GLU HA . 30033 1 335 . 1 . 1 31 31 GLU HB2 H 1 1.908 0.020 . . . . . . A 31 GLU HB2 . 30033 1 336 . 1 . 1 31 31 GLU HB3 H 1 2.048 0.020 . . . . . . A 31 GLU HB3 . 30033 1 337 . 1 . 1 31 31 GLU HG2 H 1 2.347 0.020 . . . . . . A 31 GLU HG2 . 30033 1 338 . 1 . 1 31 31 GLU HG3 H 1 2.441 0.020 . . . . . . A 31 GLU HG3 . 30033 1 339 . 1 . 1 31 31 GLU C C 13 176.327 0.300 . . . . . . A 31 GLU C . 30033 1 340 . 1 . 1 31 31 GLU CA C 13 55.591 0.300 . . . . . . A 31 GLU CA . 30033 1 341 . 1 . 1 31 31 GLU CB C 13 29.456 0.300 . . . . . . A 31 GLU CB . 30033 1 342 . 1 . 1 31 31 GLU N N 15 120.020 0.300 . . . . . . A 31 GLU N . 30033 1 343 . 1 . 1 32 32 GLY H H 1 8.343 0.020 . . . . . . A 32 GLY H . 30033 1 344 . 1 . 1 32 32 GLY HA2 H 1 5.187 0.020 . . . . . . A 32 GLY HA2 . 30033 1 345 . 1 . 1 32 32 GLY HA3 H 1 3.048 0.020 . . . . . . A 32 GLY HA3 . 30033 1 346 . 1 . 1 32 32 GLY C C 13 171.930 0.300 . . . . . . A 32 GLY C . 30033 1 347 . 1 . 1 32 32 GLY CA C 13 47.217 0.300 . . . . . . A 32 GLY CA . 30033 1 348 . 1 . 1 32 32 GLY N N 15 111.595 0.300 . . . . . . A 32 GLY N . 30033 1 349 . 1 . 1 33 33 ILE H H 1 8.651 0.020 . . . . . . A 33 ILE H . 30033 1 350 . 1 . 1 33 33 ILE HA H 1 4.308 0.020 . . . . . . A 33 ILE HA . 30033 1 351 . 1 . 1 33 33 ILE HB H 1 1.798 0.020 . . . . . . A 33 ILE HB . 30033 1 352 . 1 . 1 33 33 ILE HG12 H 1 1.384 0.020 . . . . . . A 33 ILE HG12 . 30033 1 353 . 1 . 1 33 33 ILE HG13 H 1 1.110 0.020 . . . . . . A 33 ILE HG13 . 30033 1 354 . 1 . 1 33 33 ILE HG21 H 1 0.834 0.020 . . . . . . A 33 ILE HG21 . 30033 1 355 . 1 . 1 33 33 ILE HG22 H 1 0.834 0.020 . . . . . . A 33 ILE HG22 . 30033 1 356 . 1 . 1 33 33 ILE HG23 H 1 0.834 0.020 . . . . . . A 33 ILE HG23 . 30033 1 357 . 1 . 1 33 33 ILE HD11 H 1 0.709 0.020 . . . . . . A 33 ILE HD11 . 30033 1 358 . 1 . 1 33 33 ILE HD12 H 1 0.709 0.020 . . . . . . A 33 ILE HD12 . 30033 1 359 . 1 . 1 33 33 ILE HD13 H 1 0.709 0.020 . . . . . . A 33 ILE HD13 . 30033 1 360 . 1 . 1 33 33 ILE C C 13 174.566 0.300 . . . . . . A 33 ILE C . 30033 1 361 . 1 . 1 33 33 ILE CA C 13 59.771 0.300 . . . . . . A 33 ILE CA . 30033 1 362 . 1 . 1 33 33 ILE CB C 13 41.688 0.300 . . . . . . A 33 ILE CB . 30033 1 363 . 1 . 1 33 33 ILE N N 15 126.450 0.300 . . . . . . A 33 ILE N . 30033 1 364 . 1 . 1 34 34 CYS H H 1 8.971 0.020 . . . . . . A 34 CYS H . 30033 1 365 . 1 . 1 34 34 CYS HA H 1 5.312 0.020 . . . . . . A 34 CYS HA . 30033 1 366 . 1 . 1 34 34 CYS HB2 H 1 2.439 0.020 . . . . . . A 34 CYS HB2 . 30033 1 367 . 1 . 1 34 34 CYS HB3 H 1 2.439 0.020 . . . . . . A 34 CYS HB3 . 30033 1 368 . 1 . 1 34 34 CYS C C 13 174.518 0.300 . . . . . . A 34 CYS C . 30033 1 369 . 1 . 1 34 34 CYS CA C 13 53.881 0.300 . . . . . . A 34 CYS CA . 30033 1 370 . 1 . 1 34 34 CYS CB C 13 35.991 0.300 . . . . . . A 34 CYS CB . 30033 1 371 . 1 . 1 34 34 CYS N N 15 124.364 0.300 . . . . . . A 34 CYS N . 30033 1 372 . 1 . 1 35 35 HIS H H 1 9.509 0.020 . . . . . . A 35 HIS H . 30033 1 373 . 1 . 1 35 35 HIS HA H 1 4.892 0.020 . . . . . . A 35 HIS HA . 30033 1 374 . 1 . 1 35 35 HIS HB2 H 1 3.029 0.020 . . . . . . A 35 HIS HB2 . 30033 1 375 . 1 . 1 35 35 HIS HB3 H 1 3.187 0.020 . . . . . . A 35 HIS HB3 . 30033 1 376 . 1 . 1 35 35 HIS HD1 H 1 8.659 0.020 . . . . . . A 35 HIS HD1 . 30033 1 377 . 1 . 1 35 35 HIS HD2 H 1 7.141 0.020 . . . . . . A 35 HIS HD2 . 30033 1 378 . 1 . 1 35 35 HIS C C 13 175.048 0.300 . . . . . . A 35 HIS C . 30033 1 379 . 1 . 1 35 35 HIS CA C 13 54.075 0.300 . . . . . . A 35 HIS CA . 30033 1 380 . 1 . 1 35 35 HIS CB C 13 28.785 0.300 . . . . . . A 35 HIS CB . 30033 1 381 . 1 . 1 35 35 HIS N N 15 123.699 0.300 . . . . . . A 35 HIS N . 30033 1 382 . 1 . 1 36 36 GLY H H 1 9.629 0.020 . . . . . . A 36 GLY H . 30033 1 383 . 1 . 1 36 36 GLY HA2 H 1 3.415 0.020 . . . . . . A 36 GLY HA2 . 30033 1 384 . 1 . 1 36 36 GLY HA3 H 1 4.145 0.020 . . . . . . A 36 GLY HA3 . 30033 1 385 . 1 . 1 36 36 GLY C C 13 174.420 0.300 . . . . . . A 36 GLY C . 30033 1 386 . 1 . 1 36 36 GLY CA C 13 47.794 0.300 . . . . . . A 36 GLY CA . 30033 1 387 . 1 . 1 36 36 GLY N N 15 117.739 0.300 . . . . . . A 36 GLY N . 30033 1 388 . 1 . 1 37 37 THR H H 1 8.354 0.020 . . . . . . A 37 THR H . 30033 1 389 . 1 . 1 37 37 THR HA H 1 4.324 0.020 . . . . . . A 37 THR HA . 30033 1 390 . 1 . 1 37 37 THR HB H 1 4.265 0.020 . . . . . . A 37 THR HB . 30033 1 391 . 1 . 1 37 37 THR HG21 H 1 1.330 0.020 . . . . . . A 37 THR HG21 . 30033 1 392 . 1 . 1 37 37 THR HG22 H 1 1.330 0.020 . . . . . . A 37 THR HG22 . 30033 1 393 . 1 . 1 37 37 THR HG23 H 1 1.330 0.020 . . . . . . A 37 THR HG23 . 30033 1 394 . 1 . 1 37 37 THR C C 13 173.712 0.300 . . . . . . A 37 THR C . 30033 1 395 . 1 . 1 37 37 THR CA C 13 60.961 0.300 . . . . . . A 37 THR CA . 30033 1 396 . 1 . 1 37 37 THR CB C 13 69.170 0.300 . . . . . . A 37 THR CB . 30033 1 397 . 1 . 1 37 37 THR N N 15 117.615 0.300 . . . . . . A 37 THR N . 30033 1 398 . 1 . 1 38 38 LYS H H 1 8.052 0.020 . . . . . . A 38 LYS H . 30033 1 399 . 1 . 1 38 38 LYS HA H 1 4.540 0.020 . . . . . . A 38 LYS HA . 30033 1 400 . 1 . 1 38 38 LYS HB2 H 1 2.009 0.020 . . . . . . A 38 LYS HB2 . 30033 1 401 . 1 . 1 38 38 LYS HB3 H 1 2.031 0.020 . . . . . . A 38 LYS HB3 . 30033 1 402 . 1 . 1 38 38 LYS HG2 H 1 1.519 0.020 . . . . . . A 38 LYS HG2 . 30033 1 403 . 1 . 1 38 38 LYS HG3 H 1 1.365 0.020 . . . . . . A 38 LYS HG3 . 30033 1 404 . 1 . 1 38 38 LYS HD2 H 1 1.820 0.020 . . . . . . A 38 LYS HD2 . 30033 1 405 . 1 . 1 38 38 LYS HD3 H 1 1.665 0.020 . . . . . . A 38 LYS HD3 . 30033 1 406 . 1 . 1 38 38 LYS HE2 H 1 3.000 0.020 . . . . . . A 38 LYS HE2 . 30033 1 407 . 1 . 1 38 38 LYS HE3 H 1 3.000 0.020 . . . . . . A 38 LYS HE3 . 30033 1 408 . 1 . 1 38 38 LYS C C 13 174.671 0.300 . . . . . . A 38 LYS C . 30033 1 409 . 1 . 1 38 38 LYS CA C 13 55.260 0.300 . . . . . . A 38 LYS CA . 30033 1 410 . 1 . 1 38 38 LYS CB C 13 33.772 0.300 . . . . . . A 38 LYS CB . 30033 1 411 . 1 . 1 38 38 LYS N N 15 121.635 0.300 . . . . . . A 38 LYS N . 30033 1 412 . 1 . 1 39 39 CYS H H 1 8.805 0.020 . . . . . . A 39 CYS H . 30033 1 413 . 1 . 1 39 39 CYS HA H 1 5.037 0.020 . . . . . . A 39 CYS HA . 30033 1 414 . 1 . 1 39 39 CYS HB2 H 1 3.231 0.020 . . . . . . A 39 CYS HB2 . 30033 1 415 . 1 . 1 39 39 CYS HB3 H 1 2.782 0.020 . . . . . . A 39 CYS HB3 . 30033 1 416 . 1 . 1 39 39 CYS C C 13 173.540 0.300 . . . . . . A 39 CYS C . 30033 1 417 . 1 . 1 39 39 CYS CA C 13 55.322 0.300 . . . . . . A 39 CYS CA . 30033 1 418 . 1 . 1 39 39 CYS CB C 13 38.213 0.300 . . . . . . A 39 CYS CB . 30033 1 419 . 1 . 1 39 39 CYS N N 15 123.390 0.300 . . . . . . A 39 CYS N . 30033 1 420 . 1 . 1 40 40 LYS H H 1 9.160 0.020 . . . . . . A 40 LYS H . 30033 1 421 . 1 . 1 40 40 LYS HA H 1 4.754 0.020 . . . . . . A 40 LYS HA . 30033 1 422 . 1 . 1 40 40 LYS HB2 H 1 1.881 0.020 . . . . . . A 40 LYS HB2 . 30033 1 423 . 1 . 1 40 40 LYS HB3 H 1 1.711 0.020 . . . . . . A 40 LYS HB3 . 30033 1 424 . 1 . 1 40 40 LYS HG2 H 1 1.319 0.020 . . . . . . A 40 LYS HG2 . 30033 1 425 . 1 . 1 40 40 LYS HG3 H 1 1.319 0.020 . . . . . . A 40 LYS HG3 . 30033 1 426 . 1 . 1 40 40 LYS HD2 H 1 1.576 0.020 . . . . . . A 40 LYS HD2 . 30033 1 427 . 1 . 1 40 40 LYS HD3 H 1 1.576 0.020 . . . . . . A 40 LYS HD3 . 30033 1 428 . 1 . 1 40 40 LYS HE2 H 1 2.918 0.020 . . . . . . A 40 LYS HE2 . 30033 1 429 . 1 . 1 40 40 LYS HE3 H 1 2.918 0.020 . . . . . . A 40 LYS HE3 . 30033 1 430 . 1 . 1 40 40 LYS C C 13 175.305 0.300 . . . . . . A 40 LYS C . 30033 1 431 . 1 . 1 40 40 LYS CA C 13 54.445 0.300 . . . . . . A 40 LYS CA . 30033 1 432 . 1 . 1 40 40 LYS CB C 13 34.483 0.300 . . . . . . A 40 LYS CB . 30033 1 433 . 1 . 1 40 40 LYS N N 15 131.804 0.300 . . . . . . A 40 LYS N . 30033 1 434 . 1 . 1 41 41 CYS H H 1 8.984 0.020 . . . . . . A 41 CYS H . 30033 1 435 . 1 . 1 41 41 CYS HA H 1 5.576 0.020 . . . . . . A 41 CYS HA . 30033 1 436 . 1 . 1 41 41 CYS HB2 H 1 2.780 0.020 . . . . . . A 41 CYS HB2 . 30033 1 437 . 1 . 1 41 41 CYS HB3 H 1 2.738 0.020 . . . . . . A 41 CYS HB3 . 30033 1 438 . 1 . 1 41 41 CYS C C 13 175.488 0.300 . . . . . . A 41 CYS C . 30033 1 439 . 1 . 1 41 41 CYS CA C 13 51.909 0.300 . . . . . . A 41 CYS CA . 30033 1 440 . 1 . 1 41 41 CYS CB C 13 35.153 0.300 . . . . . . A 41 CYS CB . 30033 1 441 . 1 . 1 41 41 CYS N N 15 123.280 0.300 . . . . . . A 41 CYS N . 30033 1 442 . 1 . 1 42 42 GLY H H 1 8.942 0.020 . . . . . . A 42 GLY H . 30033 1 443 . 1 . 1 42 42 GLY HA2 H 1 4.333 0.020 . . . . . . A 42 GLY HA2 . 30033 1 444 . 1 . 1 42 42 GLY HA3 H 1 3.858 0.020 . . . . . . A 42 GLY HA3 . 30033 1 445 . 1 . 1 42 42 GLY C C 13 172.661 0.300 . . . . . . A 42 GLY C . 30033 1 446 . 1 . 1 42 42 GLY CA C 13 44.979 0.300 . . . . . . A 42 GLY CA . 30033 1 447 . 1 . 1 42 42 GLY N N 15 114.226 0.300 . . . . . . A 42 GLY N . 30033 1 448 . 1 . 1 43 43 VAL H H 1 8.139 0.020 . . . . . . A 43 VAL H . 30033 1 449 . 1 . 1 43 43 VAL HA H 1 4.376 0.020 . . . . . . A 43 VAL HA . 30033 1 450 . 1 . 1 43 43 VAL HB H 1 2.185 0.020 . . . . . . A 43 VAL HB . 30033 1 451 . 1 . 1 43 43 VAL HG11 H 1 1.039 0.020 . . . . . . A 43 VAL HG11 . 30033 1 452 . 1 . 1 43 43 VAL HG12 H 1 1.039 0.020 . . . . . . A 43 VAL HG12 . 30033 1 453 . 1 . 1 43 43 VAL HG13 H 1 1.039 0.020 . . . . . . A 43 VAL HG13 . 30033 1 454 . 1 . 1 43 43 VAL HG21 H 1 0.947 0.020 . . . . . . A 43 VAL HG21 . 30033 1 455 . 1 . 1 43 43 VAL HG22 H 1 0.947 0.020 . . . . . . A 43 VAL HG22 . 30033 1 456 . 1 . 1 43 43 VAL HG23 H 1 0.947 0.020 . . . . . . A 43 VAL HG23 . 30033 1 457 . 1 . 1 43 43 VAL C C 13 173.666 0.300 . . . . . . A 43 VAL C . 30033 1 458 . 1 . 1 43 43 VAL CA C 13 60.341 0.300 . . . . . . A 43 VAL CA . 30033 1 459 . 1 . 1 43 43 VAL CB C 13 31.686 0.300 . . . . . . A 43 VAL CB . 30033 1 460 . 1 . 1 43 43 VAL N N 15 121.567 0.300 . . . . . . A 43 VAL N . 30033 1 461 . 1 . 1 44 44 PRO HA H 1 4.680 0.020 . . . . . . A 44 PRO HA . 30033 1 462 . 1 . 1 44 44 PRO HB2 H 1 2.329 0.020 . . . . . . A 44 PRO HB2 . 30033 1 463 . 1 . 1 44 44 PRO HB3 H 1 1.800 0.020 . . . . . . A 44 PRO HB3 . 30033 1 464 . 1 . 1 44 44 PRO HG2 H 1 2.059 0.020 . . . . . . A 44 PRO HG2 . 30033 1 465 . 1 . 1 44 44 PRO HG3 H 1 1.926 0.020 . . . . . . A 44 PRO HG3 . 30033 1 466 . 1 . 1 44 44 PRO HD2 H 1 3.629 0.020 . . . . . . A 44 PRO HD2 . 30033 1 467 . 1 . 1 44 44 PRO HD3 H 1 3.891 0.020 . . . . . . A 44 PRO HD3 . 30033 1 468 . 1 . 1 44 44 PRO C C 13 176.958 0.300 . . . . . . A 44 PRO C . 30033 1 469 . 1 . 1 44 44 PRO CA C 13 63.000 0.300 . . . . . . A 44 PRO CA . 30033 1 470 . 1 . 1 44 44 PRO CB C 13 32.034 0.300 . . . . . . A 44 PRO CB . 30033 1 471 . 1 . 1 45 45 ILE H H 1 7.845 0.020 . . . . . . A 45 ILE H . 30033 1 472 . 1 . 1 45 45 ILE HA H 1 3.981 0.020 . . . . . . A 45 ILE HA . 30033 1 473 . 1 . 1 45 45 ILE HB H 1 1.632 0.020 . . . . . . A 45 ILE HB . 30033 1 474 . 1 . 1 45 45 ILE HG12 H 1 0.969 0.020 . . . . . . A 45 ILE HG12 . 30033 1 475 . 1 . 1 45 45 ILE HG13 H 1 1.316 0.020 . . . . . . A 45 ILE HG13 . 30033 1 476 . 1 . 1 45 45 ILE HG21 H 1 0.788 0.020 . . . . . . A 45 ILE HG21 . 30033 1 477 . 1 . 1 45 45 ILE HG22 H 1 0.788 0.020 . . . . . . A 45 ILE HG22 . 30033 1 478 . 1 . 1 45 45 ILE HG23 H 1 0.788 0.020 . . . . . . A 45 ILE HG23 . 30033 1 479 . 1 . 1 45 45 ILE HD11 H 1 0.733 0.020 . . . . . . A 45 ILE HD11 . 30033 1 480 . 1 . 1 45 45 ILE HD12 H 1 0.733 0.020 . . . . . . A 45 ILE HD12 . 30033 1 481 . 1 . 1 45 45 ILE HD13 H 1 0.733 0.020 . . . . . . A 45 ILE HD13 . 30033 1 482 . 1 . 1 45 45 ILE C C 13 176.272 0.300 . . . . . . A 45 ILE C . 30033 1 483 . 1 . 1 45 45 ILE CA C 13 61.776 0.300 . . . . . . A 45 ILE CA . 30033 1 484 . 1 . 1 45 45 ILE CB C 13 38.505 0.300 . . . . . . A 45 ILE CB . 30033 1 485 . 1 . 1 45 45 ILE N N 15 121.296 0.300 . . . . . . A 45 ILE N . 30033 1 486 . 1 . 1 46 46 SER H H 1 8.163 0.020 . . . . . . A 46 SER H . 30033 1 487 . 1 . 1 46 46 SER HA H 1 4.438 0.020 . . . . . . A 46 SER HA . 30033 1 488 . 1 . 1 46 46 SER HB2 H 1 3.804 0.020 . . . . . . A 46 SER HB2 . 30033 1 489 . 1 . 1 46 46 SER HB3 H 1 3.769 0.020 . . . . . . A 46 SER HB3 . 30033 1 490 . 1 . 1 46 46 SER C C 13 173.792 0.300 . . . . . . A 46 SER C . 30033 1 491 . 1 . 1 46 46 SER CA C 13 58.079 0.300 . . . . . . A 46 SER CA . 30033 1 492 . 1 . 1 46 46 SER CB C 13 63.976 0.300 . . . . . . A 46 SER CB . 30033 1 493 . 1 . 1 46 46 SER N N 15 119.156 0.300 . . . . . . A 46 SER N . 30033 1 494 . 1 . 1 47 47 TYR H H 1 8.221 0.020 . . . . . . A 47 TYR H . 30033 1 495 . 1 . 1 47 47 TYR HA H 1 4.604 0.020 . . . . . . A 47 TYR HA . 30033 1 496 . 1 . 1 47 47 TYR HB2 H 1 2.944 0.020 . . . . . . A 47 TYR HB2 . 30033 1 497 . 1 . 1 47 47 TYR HB3 H 1 3.091 0.020 . . . . . . A 47 TYR HB3 . 30033 1 498 . 1 . 1 47 47 TYR HD1 H 1 7.136 0.020 . . . . . . A 47 TYR HD1 . 30033 1 499 . 1 . 1 47 47 TYR HD2 H 1 7.122 0.020 . . . . . . A 47 TYR HD2 . 30033 1 500 . 1 . 1 47 47 TYR HE1 H 1 6.820 0.020 . . . . . . A 47 TYR HE1 . 30033 1 501 . 1 . 1 47 47 TYR HE2 H 1 6.803 0.020 . . . . . . A 47 TYR HE2 . 30033 1 502 . 1 . 1 47 47 TYR C C 13 175.362 0.300 . . . . . . A 47 TYR C . 30033 1 503 . 1 . 1 47 47 TYR CA C 13 57.901 0.300 . . . . . . A 47 TYR CA . 30033 1 504 . 1 . 1 47 47 TYR CB C 13 38.599 0.300 . . . . . . A 47 TYR CB . 30033 1 505 . 1 . 1 47 47 TYR N N 15 122.585 0.300 . . . . . . A 47 TYR N . 30033 1 506 . 1 . 1 48 48 LEU H H 1 8.100 0.020 . . . . . . A 48 LEU H . 30033 1 507 . 1 . 1 48 48 LEU HA H 1 4.323 0.020 . . . . . . A 48 LEU HA . 30033 1 508 . 1 . 1 48 48 LEU HB2 H 1 1.616 0.020 . . . . . . A 48 LEU HB2 . 30033 1 509 . 1 . 1 48 48 LEU HB3 H 1 1.616 0.020 . . . . . . A 48 LEU HB3 . 30033 1 510 . 1 . 1 48 48 LEU HG H 1 1.533 0.020 . . . . . . A 48 LEU HG . 30033 1 511 . 1 . 1 48 48 LEU HD11 H 1 0.859 0.020 . . . . . . A 48 LEU HD11 . 30033 1 512 . 1 . 1 48 48 LEU HD12 H 1 0.859 0.020 . . . . . . A 48 LEU HD12 . 30033 1 513 . 1 . 1 48 48 LEU HD13 H 1 0.859 0.020 . . . . . . A 48 LEU HD13 . 30033 1 514 . 1 . 1 48 48 LEU HD21 H 1 0.859 0.020 . . . . . . A 48 LEU HD21 . 30033 1 515 . 1 . 1 48 48 LEU HD22 H 1 0.859 0.020 . . . . . . A 48 LEU HD22 . 30033 1 516 . 1 . 1 48 48 LEU HD23 H 1 0.859 0.020 . . . . . . A 48 LEU HD23 . 30033 1 517 . 1 . 1 48 48 LEU C C 13 179.131 0.300 . . . . . . A 48 LEU C . 30033 1 518 . 1 . 1 48 48 LEU CA C 13 54.633 0.300 . . . . . . A 48 LEU CA . 30033 1 519 . 1 . 1 48 48 LEU CB C 13 42.191 0.300 . . . . . . A 48 LEU CB . 30033 1 520 . 1 . 1 48 48 LEU N N 15 124.719 0.300 . . . . . . A 48 LEU N . 30033 1 stop_ save_