################################### # 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 19283 _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 2 '3D CBCA(CO)NH' . . . 19283 1 3 '3D C(CO)NH' . . . 19283 1 5 '3D HBHA(CO)NH' . . . 19283 1 6 '3D H(CCO)NH' . . . 19283 1 7 '3D HCCH-TOCSY' . . . 19283 1 8 '3D HNCACB' . . . 19283 1 9 '3D HNCO' . . . 19283 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.971 0.020 . 2 . . . A 1 GLY HA2 . 19283 1 2 . 1 1 1 1 GLY HA3 H 1 3.971 0.020 . 2 . . . A 1 GLY HA3 . 19283 1 3 . 1 1 1 1 GLY CA C 13 45.376 0.400 . 1 . . . A 1 GLY CA . 19283 1 4 . 1 1 2 2 SER HA H 1 4.450 0.020 . 1 . . . A 2 SER HA . 19283 1 5 . 1 1 2 2 SER HB2 H 1 3.812 0.020 . 2 . . . A 2 SER HB2 . 19283 1 6 . 1 1 2 2 SER HB3 H 1 4.448 0.020 . 2 . . . A 2 SER HB3 . 19283 1 7 . 1 1 2 2 SER CA C 13 58.088 0.400 . 1 . . . A 2 SER CA . 19283 1 8 . 1 1 2 2 SER CB C 13 64.021 0.400 . 1 . . . A 2 SER CB . 19283 1 9 . 1 1 3 3 MET H H 1 8.398 0.020 . 1 . . . A 3 MET H . 19283 1 10 . 1 1 3 3 MET HA H 1 4.500 0.020 . 1 . . . A 3 MET HA . 19283 1 11 . 1 1 3 3 MET HB2 H 1 2.075 0.020 . 2 . . . A 3 MET HB2 . 19283 1 12 . 1 1 3 3 MET HB3 H 1 1.996 0.020 . 2 . . . A 3 MET HB3 . 19283 1 13 . 1 1 3 3 MET HG2 H 1 2.531 0.020 . 2 . . . A 3 MET HG2 . 19283 1 14 . 1 1 3 3 MET HG3 H 1 2.531 0.020 . 2 . . . A 3 MET HG3 . 19283 1 15 . 1 1 3 3 MET CA C 13 55.524 0.400 . 1 . . . A 3 MET CA . 19283 1 16 . 1 1 3 3 MET N N 15 122.320 0.400 . 1 . . . A 3 MET N . 19283 1 17 . 1 1 4 4 ILE H H 1 8.162 0.020 . 1 . . . A 4 ILE H . 19283 1 18 . 1 1 4 4 ILE HA H 1 4.205 0.020 . 1 . . . A 4 ILE HA . 19283 1 19 . 1 1 4 4 ILE HB H 1 1.814 0.020 . 1 . . . A 4 ILE HB . 19283 1 20 . 1 1 4 4 ILE HG12 H 1 1.437 0.020 . 2 . . . A 4 ILE HG12 . 19283 1 21 . 1 1 4 4 ILE HG13 H 1 1.156 0.020 . 2 . . . A 4 ILE HG13 . 19283 1 22 . 1 1 4 4 ILE HG21 H 1 0.840 0.020 . 1 . . . A 4 ILE HG21 . 19283 1 23 . 1 1 4 4 ILE HG22 H 1 0.840 0.020 . 1 . . . A 4 ILE HG22 . 19283 1 24 . 1 1 4 4 ILE HG23 H 1 0.840 0.020 . 1 . . . A 4 ILE HG23 . 19283 1 25 . 1 1 4 4 ILE HD11 H 1 0.812 0.020 . 1 . . . A 4 ILE HD11 . 19283 1 26 . 1 1 4 4 ILE HD12 H 1 0.812 0.020 . 1 . . . A 4 ILE HD12 . 19283 1 27 . 1 1 4 4 ILE HD13 H 1 0.812 0.020 . 1 . . . A 4 ILE HD13 . 19283 1 28 . 1 1 4 4 ILE CA C 13 60.941 0.400 . 1 . . . A 4 ILE CA . 19283 1 29 . 1 1 4 4 ILE CB C 13 38.817 0.400 . 1 . . . A 4 ILE CB . 19283 1 30 . 1 1 4 4 ILE CG1 C 13 27.283 0.400 . 1 . . . A 4 ILE CG1 . 19283 1 31 . 1 1 4 4 ILE CG2 C 13 17.562 0.400 . 1 . . . A 4 ILE CG2 . 19283 1 32 . 1 1 4 4 ILE N N 15 122.503 0.400 . 1 . . . A 4 ILE N . 19283 1 33 . 1 1 5 5 THR H H 1 8.278 0.020 . 1 . . . A 5 THR H . 19283 1 34 . 1 1 5 5 THR HA H 1 4.582 0.020 . 1 . . . A 5 THR HA . 19283 1 35 . 1 1 5 5 THR HB H 1 4.081 0.020 . 1 . . . A 5 THR HB . 19283 1 36 . 1 1 5 5 THR HG21 H 1 1.214 0.020 . 1 . . . A 5 THR HG21 . 19283 1 37 . 1 1 5 5 THR HG22 H 1 1.214 0.020 . 1 . . . A 5 THR HG22 . 19283 1 38 . 1 1 5 5 THR HG23 H 1 1.214 0.020 . 1 . . . A 5 THR HG23 . 19283 1 39 . 1 1 5 5 THR CA C 13 59.724 0.400 . 1 . . . A 5 THR CA . 19283 1 40 . 1 1 5 5 THR CB C 13 69.776 0.400 . 1 . . . A 5 THR CB . 19283 1 41 . 1 1 5 5 THR CG2 C 13 22.887 0.400 . 1 . . . A 5 THR CG2 . 19283 1 42 . 1 1 5 5 THR N N 15 121.702 0.400 . 1 . . . A 5 THR N . 19283 1 43 . 1 1 6 6 PRO HA H 1 4.415 0.020 . 1 . . . A 6 PRO HA . 19283 1 44 . 1 1 6 6 PRO HB2 H 1 1.890 0.020 . 2 . . . A 6 PRO HB2 . 19283 1 45 . 1 1 6 6 PRO HB3 H 1 2.246 0.020 . 2 . . . A 6 PRO HB3 . 19283 1 46 . 1 1 6 6 PRO HG2 H 1 2.001 0.020 . 2 . . . A 6 PRO HG2 . 19283 1 47 . 1 1 6 6 PRO HG3 H 1 1.929 0.020 . 2 . . . A 6 PRO HG3 . 19283 1 48 . 1 1 6 6 PRO HD2 H 1 3.847 0.020 . 2 . . . A 6 PRO HD2 . 19283 1 49 . 1 1 6 6 PRO HD3 H 1 3.704 0.020 . 2 . . . A 6 PRO HD3 . 19283 1 50 . 1 1 6 6 PRO CA C 13 63.232 0.400 . 1 . . . A 6 PRO CA . 19283 1 51 . 1 1 6 6 PRO CB C 13 32.443 0.400 . 1 . . . A 6 PRO CB . 19283 1 52 . 1 1 6 6 PRO CG C 13 27.460 0.400 . 1 . . . A 6 PRO CG . 19283 1 53 . 1 1 6 6 PRO CD C 13 51.317 0.400 . 1 . . . A 6 PRO CD . 19283 1 54 . 1 1 7 7 SER H H 1 8.337 0.020 . 1 . . . A 7 SER H . 19283 1 55 . 1 1 7 7 SER HA H 1 4.467 0.020 . 1 . . . A 7 SER HA . 19283 1 56 . 1 1 7 7 SER HB2 H 1 3.799 0.020 . 2 . . . A 7 SER HB2 . 19283 1 57 . 1 1 7 7 SER HB3 H 1 3.799 0.020 . 2 . . . A 7 SER HB3 . 19283 1 58 . 1 1 7 7 SER CA C 13 58.535 0.400 . 1 . . . A 7 SER CA . 19283 1 59 . 1 1 7 7 SER N N 15 116.292 0.400 . 1 . . . A 7 SER N . 19283 1 60 . 1 1 8 8 CYS H H 1 8.381 0.020 . 1 . . . A 8 CYS H . 19283 1 61 . 1 1 8 8 CYS HA H 1 4.791 0.020 . 1 . . . A 8 CYS HA . 19283 1 62 . 1 1 8 8 CYS HB2 H 1 2.982 0.020 . 2 . . . A 8 CYS HB2 . 19283 1 63 . 1 1 8 8 CYS HB3 H 1 2.565 0.020 . 2 . . . A 8 CYS HB3 . 19283 1 64 . 1 1 8 8 CYS CA C 13 52.736 0.400 . 1 . . . A 8 CYS CA . 19283 1 65 . 1 1 8 8 CYS CB C 13 40.977 0.400 . 1 . . . A 8 CYS CB . 19283 1 66 . 1 1 8 8 CYS N N 15 119.603 0.400 . 1 . . . A 8 CYS N . 19283 1 67 . 1 1 9 9 GLN H H 1 8.849 0.020 . 1 . . . A 9 GLN H . 19283 1 68 . 1 1 9 9 GLN HA H 1 4.189 0.020 . 1 . . . A 9 GLN HA . 19283 1 69 . 1 1 9 9 GLN HB2 H 1 1.912 0.020 . 2 . . . A 9 GLN HB2 . 19283 1 70 . 1 1 9 9 GLN HB3 H 1 1.736 0.020 . 2 . . . A 9 GLN HB3 . 19283 1 71 . 1 1 9 9 GLN HG2 H 1 2.012 0.020 . 2 . . . A 9 GLN HG2 . 19283 1 72 . 1 1 9 9 GLN HG3 H 1 2.121 0.020 . 2 . . . A 9 GLN HG3 . 19283 1 73 . 1 1 9 9 GLN HE21 H 1 6.862 0.020 . 2 . . . A 9 GLN HE21 . 19283 1 74 . 1 1 9 9 GLN HE22 H 1 7.519 0.020 . 2 . . . A 9 GLN HE22 . 19283 1 75 . 1 1 9 9 GLN CA C 13 55.411 0.400 . 1 . . . A 9 GLN CA . 19283 1 76 . 1 1 9 9 GLN CB C 13 29.646 0.400 . 1 . . . A 9 GLN CB . 19283 1 77 . 1 1 9 9 GLN CG C 13 33.726 0.400 . 1 . . . A 9 GLN CG . 19283 1 78 . 1 1 9 9 GLN N N 15 121.666 0.400 . 1 . . . A 9 GLN N . 19283 1 79 . 1 1 9 9 GLN NE2 N 15 112.349 0.400 . 1 . . . A 9 GLN NE2 . 19283 1 80 . 1 1 10 10 LYS H H 1 8.404 0.020 . 1 . . . A 10 LYS H . 19283 1 81 . 1 1 10 10 LYS HA H 1 4.147 0.020 . 1 . . . A 10 LYS HA . 19283 1 82 . 1 1 10 10 LYS HB2 H 1 1.826 0.020 . 2 . . . A 10 LYS HB2 . 19283 1 83 . 1 1 10 10 LYS HB3 H 1 1.808 0.020 . 2 . . . A 10 LYS HB3 . 19283 1 84 . 1 1 10 10 LYS HG2 H 1 1.453 0.020 . 2 . . . A 10 LYS HG2 . 19283 1 85 . 1 1 10 10 LYS HG3 H 1 1.541 0.020 . 2 . . . A 10 LYS HG3 . 19283 1 86 . 1 1 10 10 LYS HD2 H 1 1.721 0.020 . 2 . . . A 10 LYS HD2 . 19283 1 87 . 1 1 10 10 LYS HD3 H 1 1.720 0.020 . 2 . . . A 10 LYS HD3 . 19283 1 88 . 1 1 10 10 LYS HE2 H 1 3.013 0.020 . 2 . . . A 10 LYS HE2 . 19283 1 89 . 1 1 10 10 LYS HE3 H 1 3.013 0.020 . 2 . . . A 10 LYS HE3 . 19283 1 90 . 1 1 10 10 LYS CA C 13 58.495 0.400 . 1 . . . A 10 LYS CA . 19283 1 91 . 1 1 10 10 LYS CB C 13 32.243 0.400 . 1 . . . A 10 LYS CB . 19283 1 92 . 1 1 10 10 LYS CG C 13 24.904 0.400 . 1 . . . A 10 LYS CG . 19283 1 93 . 1 1 10 10 LYS CD C 13 29.398 0.400 . 1 . . . A 10 LYS CD . 19283 1 94 . 1 1 10 10 LYS CE C 13 42.057 0.400 . 1 . . . A 10 LYS CE . 19283 1 95 . 1 1 10 10 LYS N N 15 121.116 0.400 . 1 . . . A 10 LYS N . 19283 1 96 . 1 1 11 11 GLY H H 1 9.046 0.020 . 1 . . . A 11 GLY H . 19283 1 97 . 1 1 11 11 GLY HA2 H 1 3.712 0.020 . 2 . . . A 11 GLY HA2 . 19283 1 98 . 1 1 11 11 GLY HA3 H 1 4.349 0.020 . 2 . . . A 11 GLY HA3 . 19283 1 99 . 1 1 11 11 GLY CA C 13 45.286 0.400 . 1 . . . A 11 GLY CA . 19283 1 100 . 1 1 11 11 GLY N N 15 112.504 0.400 . 1 . . . A 11 GLY N . 19283 1 101 . 1 1 12 12 TYR H H 1 8.449 0.020 . 1 . . . A 12 TYR H . 19283 1 102 . 1 1 12 12 TYR HA H 1 5.310 0.020 . 1 . . . A 12 TYR HA . 19283 1 103 . 1 1 12 12 TYR HB2 H 1 3.313 0.020 . 2 . . . A 12 TYR HB2 . 19283 1 104 . 1 1 12 12 TYR HB3 H 1 2.426 0.020 . 2 . . . A 12 TYR HB3 . 19283 1 105 . 1 1 12 12 TYR HD1 H 1 6.653 0.020 . 1 . . . A 12 TYR HD1 . 19283 1 106 . 1 1 12 12 TYR HD2 H 1 6.653 0.020 . 1 . . . A 12 TYR HD2 . 19283 1 107 . 1 1 12 12 TYR HE1 H 1 6.721 0.020 . 1 . . . A 12 TYR HE1 . 19283 1 108 . 1 1 12 12 TYR HE2 H 1 6.721 0.020 . 1 . . . A 12 TYR HE2 . 19283 1 109 . 1 1 12 12 TYR CA C 13 56.384 0.400 . 1 . . . A 12 TYR CA . 19283 1 110 . 1 1 12 12 TYR CB C 13 41.083 0.400 . 1 . . . A 12 TYR CB . 19283 1 111 . 1 1 12 12 TYR N N 15 122.192 0.400 . 1 . . . A 12 TYR N . 19283 1 112 . 1 1 13 13 PHE H H 1 9.541 0.020 . 1 . . . A 13 PHE H . 19283 1 113 . 1 1 13 13 PHE HA H 1 5.214 0.020 . 1 . . . A 13 PHE HA . 19283 1 114 . 1 1 13 13 PHE HB2 H 1 3.100 0.020 . 2 . . . A 13 PHE HB2 . 19283 1 115 . 1 1 13 13 PHE HB3 H 1 2.885 0.020 . 2 . . . A 13 PHE HB3 . 19283 1 116 . 1 1 13 13 PHE HD1 H 1 7.082 0.020 . 1 . . . A 13 PHE HD1 . 19283 1 117 . 1 1 13 13 PHE HD2 H 1 7.082 0.020 . 1 . . . A 13 PHE HD2 . 19283 1 118 . 1 1 13 13 PHE HE1 H 1 7.027 0.020 . 1 . . . A 13 PHE HE1 . 19283 1 119 . 1 1 13 13 PHE HE2 H 1 7.027 0.020 . 1 . . . A 13 PHE HE2 . 19283 1 120 . 1 1 13 13 PHE HZ H 1 7.155 0.020 . 1 . . . A 13 PHE HZ . 19283 1 121 . 1 1 13 13 PHE CA C 13 54.578 0.400 . 1 . . . A 13 PHE CA . 19283 1 122 . 1 1 13 13 PHE CB C 13 41.184 0.400 . 1 . . . A 13 PHE CB . 19283 1 123 . 1 1 13 13 PHE CD1 C 13 134.939 0.400 . 1 . . . A 13 PHE CD1 . 19283 1 124 . 1 1 13 13 PHE CD2 C 13 134.939 0.400 . 1 . . . A 13 PHE CD2 . 19283 1 125 . 1 1 13 13 PHE N N 15 119.921 0.400 . 1 . . . A 13 PHE N . 19283 1 126 . 1 1 14 14 PRO HA H 1 5.064 0.020 . 1 . . . A 14 PRO HA . 19283 1 127 . 1 1 14 14 PRO HB2 H 1 2.065 0.020 . 2 . . . A 14 PRO HB2 . 19283 1 128 . 1 1 14 14 PRO HB3 H 1 2.209 0.020 . 2 . . . A 14 PRO HB3 . 19283 1 129 . 1 1 14 14 PRO HG2 H 1 2.218 0.020 . 2 . . . A 14 PRO HG2 . 19283 1 130 . 1 1 14 14 PRO HG3 H 1 2.106 0.020 . 2 . . . A 14 PRO HG3 . 19283 1 131 . 1 1 14 14 PRO HD3 H 1 3.761 0.020 . 2 . . . A 14 PRO HD3 . 19283 1 132 . 1 1 14 14 PRO CA C 13 62.163 0.400 . 1 . . . A 14 PRO CA . 19283 1 133 . 1 1 14 14 PRO CB C 13 32.885 0.400 . 1 . . . A 14 PRO CB . 19283 1 134 . 1 1 14 14 PRO CG C 13 27.015 0.400 . 1 . . . A 14 PRO CG . 19283 1 135 . 1 1 14 14 PRO CD C 13 50.674 0.400 . 1 . . . A 14 PRO CD . 19283 1 136 . 1 1 15 15 CYS H H 1 8.183 0.020 . 1 . . . A 15 CYS H . 19283 1 137 . 1 1 15 15 CYS HA H 1 4.827 0.020 . 1 . . . A 15 CYS HA . 19283 1 138 . 1 1 15 15 CYS HB2 H 1 3.422 0.020 . 2 . . . A 15 CYS HB2 . 19283 1 139 . 1 1 15 15 CYS HB3 H 1 2.824 0.020 . 2 . . . A 15 CYS HB3 . 19283 1 140 . 1 1 15 15 CYS CA C 13 55.136 0.400 . 1 . . . A 15 CYS CA . 19283 1 141 . 1 1 15 15 CYS CB C 13 38.087 0.400 . 1 . . . A 15 CYS CB . 19283 1 142 . 1 1 15 15 CYS N N 15 119.902 0.400 . 1 . . . A 15 CYS N . 19283 1 143 . 1 1 16 16 GLY H H 1 8.055 0.020 . 1 . . . A 16 GLY H . 19283 1 144 . 1 1 16 16 GLY HA2 H 1 3.992 0.020 . 2 . . . A 16 GLY HA2 . 19283 1 145 . 1 1 16 16 GLY HA3 H 1 3.739 0.020 . 2 . . . A 16 GLY HA3 . 19283 1 146 . 1 1 16 16 GLY CA C 13 47.158 0.400 . 1 . . . A 16 GLY CA . 19283 1 147 . 1 1 16 16 GLY N N 15 112.243 0.400 . 1 . . . A 16 GLY N . 19283 1 148 . 1 1 17 17 ASN H H 1 8.674 0.020 . 1 . . . A 17 ASN H . 19283 1 149 . 1 1 17 17 ASN HA H 1 4.585 0.020 . 1 . . . A 17 ASN HA . 19283 1 150 . 1 1 17 17 ASN HB2 H 1 2.821 0.020 . 2 . . . A 17 ASN HB2 . 19283 1 151 . 1 1 17 17 ASN HB3 H 1 2.946 0.020 . 2 . . . A 17 ASN HB3 . 19283 1 152 . 1 1 17 17 ASN HD21 H 1 6.895 0.020 . 2 . . . A 17 ASN HD21 . 19283 1 153 . 1 1 17 17 ASN HD22 H 1 7.561 0.020 . 2 . . . A 17 ASN HD22 . 19283 1 154 . 1 1 17 17 ASN CA C 13 53.554 0.400 . 1 . . . A 17 ASN CA . 19283 1 155 . 1 1 17 17 ASN CB C 13 38.014 0.400 . 1 . . . A 17 ASN CB . 19283 1 156 . 1 1 17 17 ASN N N 15 123.356 0.400 . 1 . . . A 17 ASN N . 19283 1 157 . 1 1 17 17 ASN ND2 N 15 111.839 0.400 . 1 . . . A 17 ASN ND2 . 19283 1 158 . 1 1 18 18 LEU H H 1 7.693 0.020 . 1 . . . A 18 LEU H . 19283 1 159 . 1 1 18 18 LEU HA H 1 4.493 0.020 . 1 . . . A 18 LEU HA . 19283 1 160 . 1 1 18 18 LEU HB2 H 1 1.786 0.020 . 2 . . . A 18 LEU HB2 . 19283 1 161 . 1 1 18 18 LEU HB3 H 1 1.598 0.020 . 2 . . . A 18 LEU HB3 . 19283 1 162 . 1 1 18 18 LEU HG H 1 1.704 0.020 . 1 . . . A 18 LEU HG . 19283 1 163 . 1 1 18 18 LEU HD11 H 1 0.881 0.020 . 2 . . . A 18 LEU HD11 . 19283 1 164 . 1 1 18 18 LEU HD12 H 1 0.881 0.020 . 2 . . . A 18 LEU HD12 . 19283 1 165 . 1 1 18 18 LEU HD13 H 1 0.881 0.020 . 2 . . . A 18 LEU HD13 . 19283 1 166 . 1 1 18 18 LEU HD21 H 1 0.880 0.020 . 2 . . . A 18 LEU HD21 . 19283 1 167 . 1 1 18 18 LEU HD22 H 1 0.880 0.020 . 2 . . . A 18 LEU HD22 . 19283 1 168 . 1 1 18 18 LEU HD23 H 1 0.880 0.020 . 2 . . . A 18 LEU HD23 . 19283 1 169 . 1 1 18 18 LEU CA C 13 54.336 0.400 . 1 . . . A 18 LEU CA . 19283 1 170 . 1 1 18 18 LEU CB C 13 43.055 0.400 . 1 . . . A 18 LEU CB . 19283 1 171 . 1 1 18 18 LEU CG C 13 27.088 0.400 . 1 . . . A 18 LEU CG . 19283 1 172 . 1 1 18 18 LEU CD1 C 13 22.872 0.400 . 1 . . . A 18 LEU CD1 . 19283 1 173 . 1 1 18 18 LEU CD2 C 13 25.660 0.400 . 1 . . . A 18 LEU CD2 . 19283 1 174 . 1 1 18 18 LEU N N 15 119.935 0.400 . 1 . . . A 18 LEU N . 19283 1 175 . 1 1 19 19 THR H H 1 8.202 0.020 . 1 . . . A 19 THR H . 19283 1 176 . 1 1 19 19 THR HA H 1 4.074 0.020 . 1 . . . A 19 THR HA . 19283 1 177 . 1 1 19 19 THR HB H 1 4.311 0.020 . 1 . . . A 19 THR HB . 19283 1 178 . 1 1 19 19 THR HG21 H 1 1.201 0.020 . 1 . . . A 19 THR HG21 . 19283 1 179 . 1 1 19 19 THR HG22 H 1 1.201 0.020 . 1 . . . A 19 THR HG22 . 19283 1 180 . 1 1 19 19 THR HG23 H 1 1.201 0.020 . 1 . . . A 19 THR HG23 . 19283 1 181 . 1 1 19 19 THR CA C 13 61.657 0.400 . 1 . . . A 19 THR CA . 19283 1 182 . 1 1 19 19 THR CB C 13 68.103 0.400 . 1 . . . A 19 THR CB . 19283 1 183 . 1 1 19 19 THR CG2 C 13 22.016 0.400 . 1 . . . A 19 THR CG2 . 19283 1 184 . 1 1 19 19 THR N N 15 113.712 0.400 . 1 . . . A 19 THR N . 19283 1 185 . 1 1 20 20 LYS H H 1 7.480 0.020 . 1 . . . A 20 LYS H . 19283 1 186 . 1 1 20 20 LYS HA H 1 4.259 0.020 . 1 . . . A 20 LYS HA . 19283 1 187 . 1 1 20 20 LYS HB2 H 1 1.499 0.020 . 2 . . . A 20 LYS HB2 . 19283 1 188 . 1 1 20 20 LYS HB3 H 1 1.770 0.020 . 2 . . . A 20 LYS HB3 . 19283 1 189 . 1 1 20 20 LYS HG2 H 1 1.393 0.020 . 2 . . . A 20 LYS HG2 . 19283 1 190 . 1 1 20 20 LYS HG3 H 1 1.204 0.020 . 2 . . . A 20 LYS HG3 . 19283 1 191 . 1 1 20 20 LYS HD2 H 1 1.789 0.020 . 2 . . . A 20 LYS HD2 . 19283 1 192 . 1 1 20 20 LYS HD3 H 1 1.789 0.020 . 2 . . . A 20 LYS HD3 . 19283 1 193 . 1 1 20 20 LYS HE2 H 1 3.002 0.020 . 2 . . . A 20 LYS HE2 . 19283 1 194 . 1 1 20 20 LYS HE3 H 1 3.002 0.020 . 2 . . . A 20 LYS HE3 . 19283 1 195 . 1 1 20 20 LYS CA C 13 56.532 0.400 . 1 . . . A 20 LYS CA . 19283 1 196 . 1 1 20 20 LYS CB C 13 34.993 0.400 . 1 . . . A 20 LYS CB . 19283 1 197 . 1 1 20 20 LYS CG C 13 24.882 0.400 . 1 . . . A 20 LYS CG . 19283 1 198 . 1 1 20 20 LYS CD C 13 29.899 0.400 . 1 . . . A 20 LYS CD . 19283 1 199 . 1 1 20 20 LYS CE C 13 42.204 0.400 . 1 . . . A 20 LYS CE . 19283 1 200 . 1 1 20 20 LYS N N 15 123.274 0.400 . 1 . . . A 20 LYS N . 19283 1 201 . 1 1 21 21 CYS H H 1 8.489 0.020 . 1 . . . A 21 CYS H . 19283 1 202 . 1 1 21 21 CYS HA H 1 5.326 0.020 . 1 . . . A 21 CYS HA . 19283 1 203 . 1 1 21 21 CYS HB2 H 1 3.063 0.020 . 2 . . . A 21 CYS HB2 . 19283 1 204 . 1 1 21 21 CYS HB3 H 1 2.690 0.020 . 2 . . . A 21 CYS HB3 . 19283 1 205 . 1 1 21 21 CYS CA C 13 54.861 0.400 . 1 . . . A 21 CYS CA . 19283 1 206 . 1 1 21 21 CYS CB C 13 45.734 0.400 . 1 . . . A 21 CYS CB . 19283 1 207 . 1 1 21 21 CYS N N 15 123.003 0.400 . 1 . . . A 21 CYS N . 19283 1 208 . 1 1 22 22 LEU H H 1 8.853 0.020 . 1 . . . A 22 LEU H . 19283 1 209 . 1 1 22 22 LEU HA H 1 4.898 0.020 . 1 . . . A 22 LEU HA . 19283 1 210 . 1 1 22 22 LEU HB2 H 1 1.261 0.020 . 2 . . . A 22 LEU HB2 . 19283 1 211 . 1 1 22 22 LEU HB3 H 1 1.128 0.020 . 2 . . . A 22 LEU HB3 . 19283 1 212 . 1 1 22 22 LEU HG H 1 1.474 0.020 . 1 . . . A 22 LEU HG . 19283 1 213 . 1 1 22 22 LEU HD11 H 1 0.826 0.020 . 2 . . . A 22 LEU HD11 . 19283 1 214 . 1 1 22 22 LEU HD12 H 1 0.826 0.020 . 2 . . . A 22 LEU HD12 . 19283 1 215 . 1 1 22 22 LEU HD13 H 1 0.826 0.020 . 2 . . . A 22 LEU HD13 . 19283 1 216 . 1 1 22 22 LEU HD21 H 1 0.757 0.020 . 2 . . . A 22 LEU HD21 . 19283 1 217 . 1 1 22 22 LEU HD22 H 1 0.757 0.020 . 2 . . . A 22 LEU HD22 . 19283 1 218 . 1 1 22 22 LEU HD23 H 1 0.757 0.020 . 2 . . . A 22 LEU HD23 . 19283 1 219 . 1 1 22 22 LEU CA C 13 51.452 0.400 . 1 . . . A 22 LEU CA . 19283 1 220 . 1 1 22 22 LEU CB C 13 45.053 0.400 . 1 . . . A 22 LEU CB . 19283 1 221 . 1 1 22 22 LEU CG C 13 27.137 0.400 . 1 . . . A 22 LEU CG . 19283 1 222 . 1 1 22 22 LEU CD1 C 13 23.468 0.400 . 1 . . . A 22 LEU CD1 . 19283 1 223 . 1 1 22 22 LEU CD2 C 13 29.107 0.400 . 1 . . . A 22 LEU CD2 . 19283 1 224 . 1 1 22 22 LEU N N 15 122.788 0.400 . 1 . . . A 22 LEU N . 19283 1 225 . 1 1 23 23 PRO HA H 1 3.599 0.020 . 1 . . . A 23 PRO HA . 19283 1 226 . 1 1 23 23 PRO HB2 H 1 1.874 0.020 . 2 . . . A 23 PRO HB2 . 19283 1 227 . 1 1 23 23 PRO HB3 H 1 1.525 0.020 . 2 . . . A 23 PRO HB3 . 19283 1 228 . 1 1 23 23 PRO HG2 H 1 1.549 0.020 . 2 . . . A 23 PRO HG2 . 19283 1 229 . 1 1 23 23 PRO HG3 H 1 1.601 0.020 . 2 . . . A 23 PRO HG3 . 19283 1 230 . 1 1 23 23 PRO HD2 H 1 3.245 0.020 . 2 . . . A 23 PRO HD2 . 19283 1 231 . 1 1 23 23 PRO HD3 H 1 3.587 0.020 . 2 . . . A 23 PRO HD3 . 19283 1 232 . 1 1 23 23 PRO CA C 13 62.649 0.400 . 1 . . . A 23 PRO CA . 19283 1 233 . 1 1 23 23 PRO CB C 13 31.974 0.400 . 1 . . . A 23 PRO CB . 19283 1 234 . 1 1 23 23 PRO CG C 13 27.230 0.400 . 1 . . . A 23 PRO CG . 19283 1 235 . 1 1 23 23 PRO CD C 13 50.401 0.400 . 1 . . . A 23 PRO CD . 19283 1 236 . 1 1 24 24 ARG H H 1 8.029 0.020 . 1 . . . A 24 ARG H . 19283 1 237 . 1 1 24 24 ARG HA H 1 4.047 0.020 . 1 . . . A 24 ARG HA . 19283 1 238 . 1 1 24 24 ARG HB2 H 1 1.848 0.020 . 2 . . . A 24 ARG HB2 . 19283 1 239 . 1 1 24 24 ARG HB3 H 1 1.799 0.020 . 2 . . . A 24 ARG HB3 . 19283 1 240 . 1 1 24 24 ARG HG2 H 1 1.647 0.020 . 2 . . . A 24 ARG HG2 . 19283 1 241 . 1 1 24 24 ARG HG3 H 1 1.647 0.020 . 2 . . . A 24 ARG HG3 . 19283 1 242 . 1 1 24 24 ARG HD2 H 1 3.164 0.020 . 2 . . . A 24 ARG HD2 . 19283 1 243 . 1 1 24 24 ARG HD3 H 1 3.164 0.020 . 2 . . . A 24 ARG HD3 . 19283 1 244 . 1 1 24 24 ARG CA C 13 59.718 0.400 . 1 . . . A 24 ARG CA . 19283 1 245 . 1 1 24 24 ARG CB C 13 29.989 0.400 . 1 . . . A 24 ARG CB . 19283 1 246 . 1 1 24 24 ARG CG C 13 27.492 0.400 . 1 . . . A 24 ARG CG . 19283 1 247 . 1 1 24 24 ARG CD C 13 43.210 0.400 . 1 . . . A 24 ARG CD . 19283 1 248 . 1 1 24 24 ARG N N 15 121.052 0.400 . 1 . . . A 24 ARG N . 19283 1 249 . 1 1 25 25 ALA H H 1 8.513 0.020 . 1 . . . A 25 ALA H . 19283 1 250 . 1 1 25 25 ALA HA H 1 4.107 0.020 . 1 . . . A 25 ALA HA . 19283 1 251 . 1 1 25 25 ALA HB1 H 1 1.180 0.020 . 1 . . . A 25 ALA HB1 . 19283 1 252 . 1 1 25 25 ALA HB2 H 1 1.180 0.020 . 1 . . . A 25 ALA HB2 . 19283 1 253 . 1 1 25 25 ALA HB3 H 1 1.180 0.020 . 1 . . . A 25 ALA HB3 . 19283 1 254 . 1 1 25 25 ALA CA C 13 54.816 0.400 . 1 . . . A 25 ALA CA . 19283 1 255 . 1 1 25 25 ALA N N 15 121.473 0.400 . 1 . . . A 25 ALA N . 19283 1 256 . 1 1 26 26 PHE H H 1 7.973 0.020 . 1 . . . A 26 PHE H . 19283 1 257 . 1 1 26 26 PHE HA H 1 4.940 0.020 . 1 . . . A 26 PHE HA . 19283 1 258 . 1 1 26 26 PHE HB2 H 1 3.052 0.020 . 2 . . . A 26 PHE HB2 . 19283 1 259 . 1 1 26 26 PHE HB3 H 1 3.816 0.020 . 2 . . . A 26 PHE HB3 . 19283 1 260 . 1 1 26 26 PHE HD1 H 1 7.244 0.020 . 1 . . . A 26 PHE HD1 . 19283 1 261 . 1 1 26 26 PHE HD2 H 1 7.244 0.020 . 1 . . . A 26 PHE HD2 . 19283 1 262 . 1 1 26 26 PHE HZ H 1 7.360 0.020 . 1 . . . A 26 PHE HZ . 19283 1 263 . 1 1 26 26 PHE CA C 13 56.391 0.400 . 1 . . . A 26 PHE CA . 19283 1 264 . 1 1 26 26 PHE CB C 13 37.612 0.400 . 1 . . . A 26 PHE CB . 19283 1 265 . 1 1 26 26 PHE N N 15 112.036 0.400 . 1 . . . A 26 PHE N . 19283 1 266 . 1 1 27 27 HIS H H 1 8.535 0.020 . 1 . . . A 27 HIS H . 19283 1 267 . 1 1 27 27 HIS HA H 1 4.719 0.020 . 1 . . . A 27 HIS HA . 19283 1 268 . 1 1 27 27 HIS HB2 H 1 3.305 0.020 . 2 . . . A 27 HIS HB2 . 19283 1 269 . 1 1 27 27 HIS HB3 H 1 2.391 0.020 . 2 . . . A 27 HIS HB3 . 19283 1 270 . 1 1 27 27 HIS HD2 H 1 6.942 0.020 . 1 . . . A 27 HIS HD2 . 19283 1 271 . 1 1 27 27 HIS HE1 H 1 8.660 0.020 . 1 . . . A 27 HIS HE1 . 19283 1 272 . 1 1 27 27 HIS CB C 13 28.429 0.400 . 1 . . . A 27 HIS CB . 19283 1 273 . 1 1 27 27 HIS N N 15 125.821 0.400 . 1 . . . A 27 HIS N . 19283 1 274 . 1 1 28 28 CYS H H 1 8.840 0.020 . 1 . . . A 28 CYS H . 19283 1 275 . 1 1 28 28 CYS HA H 1 4.683 0.020 . 1 . . . A 28 CYS HA . 19283 1 276 . 1 1 28 28 CYS HB2 H 1 3.076 0.020 . 2 . . . A 28 CYS HB2 . 19283 1 277 . 1 1 28 28 CYS HB3 H 1 2.777 0.020 . 2 . . . A 28 CYS HB3 . 19283 1 278 . 1 1 28 28 CYS CA C 13 56.365 0.400 . 1 . . . A 28 CYS CA . 19283 1 279 . 1 1 28 28 CYS CB C 13 36.346 0.400 . 1 . . . A 28 CYS CB . 19283 1 280 . 1 1 28 28 CYS N N 15 125.400 0.400 . 1 . . . A 28 CYS N . 19283 1 281 . 1 1 29 29 ASP H H 1 9.539 0.020 . 1 . . . A 29 ASP H . 19283 1 282 . 1 1 29 29 ASP HA H 1 4.806 0.020 . 1 . . . A 29 ASP HA . 19283 1 283 . 1 1 29 29 ASP HB2 H 1 2.585 0.020 . 2 . . . A 29 ASP HB2 . 19283 1 284 . 1 1 29 29 ASP HB3 H 1 3.074 0.020 . 2 . . . A 29 ASP HB3 . 19283 1 285 . 1 1 29 29 ASP CA C 13 52.838 0.400 . 1 . . . A 29 ASP CA . 19283 1 286 . 1 1 29 29 ASP CB C 13 41.416 0.400 . 1 . . . A 29 ASP CB . 19283 1 287 . 1 1 29 29 ASP N N 15 120.999 0.400 . 1 . . . A 29 ASP N . 19283 1 288 . 1 1 30 30 GLY H H 1 9.267 0.020 . 1 . . . A 30 GLY H . 19283 1 289 . 1 1 30 30 GLY HA2 H 1 4.191 0.020 . 2 . . . A 30 GLY HA2 . 19283 1 290 . 1 1 30 30 GLY HA3 H 1 3.524 0.020 . 2 . . . A 30 GLY HA3 . 19283 1 291 . 1 1 30 30 GLY CA C 13 45.588 0.400 . 1 . . . A 30 GLY CA . 19283 1 292 . 1 1 30 30 GLY N N 15 110.119 0.400 . 1 . . . A 30 GLY N . 19283 1 293 . 1 1 31 31 LYS H H 1 7.306 0.020 . 1 . . . A 31 LYS H . 19283 1 294 . 1 1 31 31 LYS HA H 1 4.756 0.020 . 1 . . . A 31 LYS HA . 19283 1 295 . 1 1 31 31 LYS HB2 H 1 1.819 0.020 . 2 . . . A 31 LYS HB2 . 19283 1 296 . 1 1 31 31 LYS HB3 H 1 1.553 0.020 . 2 . . . A 31 LYS HB3 . 19283 1 297 . 1 1 31 31 LYS HG2 H 1 1.467 0.020 . 2 . . . A 31 LYS HG2 . 19283 1 298 . 1 1 31 31 LYS HG3 H 1 1.070 0.020 . 2 . . . A 31 LYS HG3 . 19283 1 299 . 1 1 31 31 LYS HD2 H 1 1.496 0.020 . 2 . . . A 31 LYS HD2 . 19283 1 300 . 1 1 31 31 LYS HD3 H 1 1.464 0.020 . 2 . . . A 31 LYS HD3 . 19283 1 301 . 1 1 31 31 LYS HE2 H 1 2.909 0.020 . 2 . . . A 31 LYS HE2 . 19283 1 302 . 1 1 31 31 LYS HE3 H 1 2.739 0.020 . 2 . . . A 31 LYS HE3 . 19283 1 303 . 1 1 31 31 LYS CB C 13 35.004 0.400 . 1 . . . A 31 LYS CB . 19283 1 304 . 1 1 31 31 LYS CG C 13 23.546 0.400 . 1 . . . A 31 LYS CG . 19283 1 305 . 1 1 31 31 LYS CD C 13 29.137 0.400 . 1 . . . A 31 LYS CD . 19283 1 306 . 1 1 31 31 LYS CE C 13 42.503 0.400 . 1 . . . A 31 LYS CE . 19283 1 307 . 1 1 31 31 LYS N N 15 115.357 0.400 . 1 . . . A 31 LYS N . 19283 1 308 . 1 1 32 32 ASP H H 1 9.038 0.020 . 1 . . . A 32 ASP H . 19283 1 309 . 1 1 32 32 ASP HA H 1 4.684 0.020 . 1 . . . A 32 ASP HA . 19283 1 310 . 1 1 32 32 ASP HB2 H 1 2.847 0.020 . 2 . . . A 32 ASP HB2 . 19283 1 311 . 1 1 32 32 ASP HB3 H 1 2.652 0.020 . 2 . . . A 32 ASP HB3 . 19283 1 312 . 1 1 32 32 ASP CA C 13 53.708 0.400 . 1 . . . A 32 ASP CA . 19283 1 313 . 1 1 32 32 ASP CB C 13 39.743 0.400 . 1 . . . A 32 ASP CB . 19283 1 314 . 1 1 32 32 ASP N N 15 125.726 0.400 . 1 . . . A 32 ASP N . 19283 1 315 . 1 1 33 33 ASP H H 1 10.711 0.020 . 1 . . . A 33 ASP H . 19283 1 316 . 1 1 33 33 ASP HA H 1 4.629 0.020 . 1 . . . A 33 ASP HA . 19283 1 317 . 1 1 33 33 ASP HB2 H 1 2.508 0.020 . 2 . . . A 33 ASP HB2 . 19283 1 318 . 1 1 33 33 ASP HB3 H 1 2.508 0.020 . 2 . . . A 33 ASP HB3 . 19283 1 319 . 1 1 33 33 ASP CA C 13 55.622 0.400 . 1 . . . A 33 ASP CA . 19283 1 320 . 1 1 33 33 ASP CB C 13 44.786 0.400 . 1 . . . A 33 ASP CB . 19283 1 321 . 1 1 33 33 ASP N N 15 128.314 0.400 . 1 . . . A 33 ASP N . 19283 1 322 . 1 1 34 34 CYS H H 1 8.882 0.020 . 1 . . . A 34 CYS H . 19283 1 323 . 1 1 34 34 CYS HA H 1 4.369 0.020 . 1 . . . A 34 CYS HA . 19283 1 324 . 1 1 34 34 CYS HB2 H 1 3.319 0.020 . 2 . . . A 34 CYS HB2 . 19283 1 325 . 1 1 34 34 CYS HB3 H 1 3.318 0.020 . 2 . . . A 34 CYS HB3 . 19283 1 326 . 1 1 34 34 CYS CA C 13 58.015 0.400 . 1 . . . A 34 CYS CA . 19283 1 327 . 1 1 34 34 CYS CB C 13 41.263 0.400 . 1 . . . A 34 CYS CB . 19283 1 328 . 1 1 34 34 CYS N N 15 119.401 0.400 . 1 . . . A 34 CYS N . 19283 1 329 . 1 1 35 35 GLY H H 1 9.647 0.020 . 1 . . . A 35 GLY H . 19283 1 330 . 1 1 35 35 GLY HA2 H 1 4.382 0.020 . 2 . . . A 35 GLY HA2 . 19283 1 331 . 1 1 35 35 GLY HA3 H 1 3.571 0.020 . 2 . . . A 35 GLY HA3 . 19283 1 332 . 1 1 35 35 GLY CA C 13 45.053 0.400 . 1 . . . A 35 GLY CA . 19283 1 333 . 1 1 35 35 GLY N N 15 111.158 0.400 . 1 . . . A 35 GLY N . 19283 1 334 . 1 1 36 36 ASN H H 1 7.280 0.020 . 1 . . . A 36 ASN H . 19283 1 335 . 1 1 36 36 ASN HA H 1 4.884 0.020 . 1 . . . A 36 ASN HA . 19283 1 336 . 1 1 36 36 ASN HB2 H 1 3.358 0.020 . 2 . . . A 36 ASN HB2 . 19283 1 337 . 1 1 36 36 ASN HB3 H 1 2.735 0.020 . 2 . . . A 36 ASN HB3 . 19283 1 338 . 1 1 36 36 ASN HD21 H 1 6.684 0.020 . 2 . . . A 36 ASN HD21 . 19283 1 339 . 1 1 36 36 ASN HD22 H 1 7.825 0.020 . 2 . . . A 36 ASN HD22 . 19283 1 340 . 1 1 36 36 ASN CA C 13 51.306 0.400 . 1 . . . A 36 ASN CA . 19283 1 341 . 1 1 36 36 ASN CB C 13 39.160 0.400 . 1 . . . A 36 ASN CB . 19283 1 342 . 1 1 36 36 ASN N N 15 116.001 0.400 . 1 . . . A 36 ASN N . 19283 1 343 . 1 1 36 36 ASN ND2 N 15 109.785 0.400 . 1 . . . A 36 ASN ND2 . 19283 1 344 . 1 1 37 37 GLY H H 1 9.215 0.020 . 1 . . . A 37 GLY H . 19283 1 345 . 1 1 37 37 GLY HA2 H 1 4.063 0.020 . 2 . . . A 37 GLY HA2 . 19283 1 346 . 1 1 37 37 GLY HA3 H 1 3.481 0.020 . 2 . . . A 37 GLY HA3 . 19283 1 347 . 1 1 37 37 GLY CA C 13 45.682 0.400 . 1 . . . A 37 GLY CA . 19283 1 348 . 1 1 37 37 GLY N N 15 110.006 0.400 . 1 . . . A 37 GLY N . 19283 1 349 . 1 1 38 38 ALA H H 1 7.953 0.020 . 1 . . . A 38 ALA H . 19283 1 350 . 1 1 38 38 ALA HA H 1 4.101 0.020 . 1 . . . A 38 ALA HA . 19283 1 351 . 1 1 38 38 ALA HB1 H 1 1.582 0.020 . 1 . . . A 38 ALA HB1 . 19283 1 352 . 1 1 38 38 ALA HB2 H 1 1.582 0.020 . 1 . . . A 38 ALA HB2 . 19283 1 353 . 1 1 38 38 ALA HB3 H 1 1.582 0.020 . 1 . . . A 38 ALA HB3 . 19283 1 354 . 1 1 38 38 ALA CA C 13 55.880 0.400 . 1 . . . A 38 ALA CA . 19283 1 355 . 1 1 38 38 ALA CB C 13 19.138 0.400 . 1 . . . A 38 ALA CB . 19283 1 356 . 1 1 38 38 ALA N N 15 122.734 0.400 . 1 . . . A 38 ALA N . 19283 1 357 . 1 1 39 39 ASP H H 1 10.386 0.020 . 1 . . . A 39 ASP H . 19283 1 358 . 1 1 39 39 ASP HA H 1 4.483 0.020 . 1 . . . A 39 ASP HA . 19283 1 359 . 1 1 39 39 ASP HB2 H 1 3.185 0.020 . 2 . . . A 39 ASP HB2 . 19283 1 360 . 1 1 39 39 ASP HB3 H 1 3.046 0.020 . 2 . . . A 39 ASP HB3 . 19283 1 361 . 1 1 39 39 ASP CA C 13 54.468 0.400 . 1 . . . A 39 ASP CA . 19283 1 362 . 1 1 39 39 ASP CB C 13 39.769 0.400 . 1 . . . A 39 ASP CB . 19283 1 363 . 1 1 39 39 ASP N N 15 110.255 0.400 . 1 . . . A 39 ASP N . 19283 1 364 . 1 1 40 40 GLU H H 1 7.679 0.020 . 1 . . . A 40 GLU H . 19283 1 365 . 1 1 40 40 GLU HA H 1 4.662 0.020 . 1 . . . A 40 GLU HA . 19283 1 366 . 1 1 40 40 GLU HB2 H 1 1.505 0.020 . 2 . . . A 40 GLU HB2 . 19283 1 367 . 1 1 40 40 GLU HB3 H 1 2.464 0.020 . 2 . . . A 40 GLU HB3 . 19283 1 368 . 1 1 40 40 GLU HG2 H 1 1.996 0.020 . 2 . . . A 40 GLU HG2 . 19283 1 369 . 1 1 40 40 GLU HG3 H 1 1.996 0.020 . 2 . . . A 40 GLU HG3 . 19283 1 370 . 1 1 40 40 GLU CA C 13 54.354 0.400 . 1 . . . A 40 GLU CA . 19283 1 371 . 1 1 40 40 GLU CB C 13 30.233 0.400 . 1 . . . A 40 GLU CB . 19283 1 372 . 1 1 40 40 GLU CG C 13 36.788 0.400 . 1 . . . A 40 GLU CG . 19283 1 373 . 1 1 40 40 GLU N N 15 117.907 0.400 . 1 . . . A 40 GLU N . 19283 1 374 . 1 1 41 41 GLU H H 1 6.964 0.020 . 1 . . . A 41 GLU H . 19283 1 375 . 1 1 41 41 GLU HA H 1 4.342 0.020 . 1 . . . A 41 GLU HA . 19283 1 376 . 1 1 41 41 GLU HB2 H 1 1.983 0.020 . 2 . . . A 41 GLU HB2 . 19283 1 377 . 1 1 41 41 GLU HB3 H 1 1.983 0.020 . 2 . . . A 41 GLU HB3 . 19283 1 378 . 1 1 41 41 GLU HG2 H 1 2.410 0.020 . 2 . . . A 41 GLU HG2 . 19283 1 379 . 1 1 41 41 GLU HG3 H 1 2.252 0.020 . 2 . . . A 41 GLU HG3 . 19283 1 380 . 1 1 41 41 GLU CA C 13 55.849 0.400 . 1 . . . A 41 GLU CA . 19283 1 381 . 1 1 41 41 GLU CB C 13 31.532 0.400 . 1 . . . A 41 GLU CB . 19283 1 382 . 1 1 41 41 GLU CG C 13 36.156 0.400 . 1 . . . A 41 GLU CG . 19283 1 383 . 1 1 41 41 GLU N N 15 120.082 0.400 . 1 . . . A 41 GLU N . 19283 1 384 . 1 1 42 42 ASN H H 1 9.008 0.020 . 1 . . . A 42 ASN H . 19283 1 385 . 1 1 42 42 ASN HA H 1 4.497 0.020 . 1 . . . A 42 ASN HA . 19283 1 386 . 1 1 42 42 ASN HB2 H 1 3.001 0.020 . 2 . . . A 42 ASN HB2 . 19283 1 387 . 1 1 42 42 ASN HB3 H 1 2.908 0.020 . 2 . . . A 42 ASN HB3 . 19283 1 388 . 1 1 42 42 ASN HD21 H 1 7.017 0.020 . 2 . . . A 42 ASN HD21 . 19283 1 389 . 1 1 42 42 ASN HD22 H 1 7.677 0.020 . 2 . . . A 42 ASN HD22 . 19283 1 390 . 1 1 42 42 ASN CB C 13 37.147 0.400 . 1 . . . A 42 ASN CB . 19283 1 391 . 1 1 42 42 ASN N N 15 117.487 0.400 . 1 . . . A 42 ASN N . 19283 1 392 . 1 1 42 42 ASN ND2 N 15 113.983 0.400 . 1 . . . A 42 ASN ND2 . 19283 1 393 . 1 1 43 43 CYS H H 1 8.294 0.020 . 1 . . . A 43 CYS H . 19283 1 394 . 1 1 43 43 CYS HA H 1 4.602 0.020 . 1 . . . A 43 CYS HA . 19283 1 395 . 1 1 43 43 CYS HB2 H 1 2.653 0.020 . 2 . . . A 43 CYS HB2 . 19283 1 396 . 1 1 43 43 CYS HB3 H 1 3.087 0.020 . 2 . . . A 43 CYS HB3 . 19283 1 397 . 1 1 43 43 CYS CA C 13 55.003 0.400 . 1 . . . A 43 CYS CA . 19283 1 398 . 1 1 43 43 CYS CB C 13 39.436 0.400 . 1 . . . A 43 CYS CB . 19283 1 399 . 1 1 43 43 CYS N N 15 117.347 0.400 . 1 . . . A 43 CYS N . 19283 1 400 . 1 1 44 44 GLY H H 1 8.171 0.020 . 1 . . . A 44 GLY H . 19283 1 401 . 1 1 44 44 GLY HA2 H 1 3.740 0.020 . 2 . . . A 44 GLY HA2 . 19283 1 402 . 1 1 44 44 GLY HA3 H 1 3.743 0.020 . 2 . . . A 44 GLY HA3 . 19283 1 403 . 1 1 44 44 GLY CA C 13 46.365 0.400 . 1 . . . A 44 GLY CA . 19283 1 404 . 1 1 44 44 GLY N N 15 116.376 0.400 . 1 . . . A 44 GLY N . 19283 1 stop_ save_