################################### # 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 25613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 25613 1 2 '2D 1H-1H NOESY' . . . 25613 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 4.025 0.020 . 2 . . . A 1 GLY QA . 25613 1 2 . 1 1 1 1 GLY HA3 H 1 4.025 0.020 . 2 . . . A 1 GLY QA . 25613 1 3 . 1 1 1 1 GLY CA C 13 43.264 0.200 . 1 . . . A 1 GLY CA . 25613 1 4 . 1 1 2 2 ILE H H 1 8.541 0.020 . 1 . . . A 2 ILE H . 25613 1 5 . 1 1 2 2 ILE HA H 1 4.066 0.020 . 1 . . . A 2 ILE HA . 25613 1 6 . 1 1 2 2 ILE HB H 1 1.273 0.020 . 1 . . . A 2 ILE HB . 25613 1 7 . 1 1 2 2 ILE HG12 H 1 0.805 0.020 . 1 . . . A 2 ILE QG2 . 25613 1 8 . 1 1 2 2 ILE HG13 H 1 0.805 0.020 . 1 . . . A 2 ILE QG2 . 25613 1 9 . 1 1 2 2 ILE HG21 H 1 0.805 0.020 . 1 . . . A 2 ILE QG2 . 25613 1 10 . 1 1 2 2 ILE HG22 H 1 0.805 0.020 . 1 . . . A 2 ILE QG2 . 25613 1 11 . 1 1 2 2 ILE HG23 H 1 0.805 0.020 . 1 . . . A 2 ILE QG2 . 25613 1 12 . 1 1 2 2 ILE HD11 H 1 0.689 0.020 . 1 . . . A 2 ILE QD1 . 25613 1 13 . 1 1 2 2 ILE HD12 H 1 0.689 0.020 . 1 . . . A 2 ILE QD1 . 25613 1 14 . 1 1 2 2 ILE HD13 H 1 0.689 0.020 . 1 . . . A 2 ILE QD1 . 25613 1 15 . 1 1 2 2 ILE CA C 13 57.493 0.200 . 1 . . . A 2 ILE CA . 25613 1 16 . 1 1 2 2 ILE CB C 13 40.011 0.200 . 1 . . . A 2 ILE CB . 25613 1 17 . 1 1 2 2 ILE CG1 C 13 27.745 0.200 . 1 . . . A 2 ILE CG1 . 25613 1 18 . 1 1 2 2 ILE CG2 C 13 16.726 0.200 . 1 . . . A 2 ILE CG2 . 25613 1 19 . 1 1 2 2 ILE CD1 C 13 13.826 0.200 . 1 . . . A 2 ILE CD1 . 25613 1 20 . 1 1 3 3 VAL H H 1 8.164 0.020 . 1 . . . A 3 VAL H . 25613 1 21 . 1 1 3 3 VAL HA H 1 3.731 0.020 . 1 . . . A 3 VAL HA . 25613 1 22 . 1 1 3 3 VAL HB H 1 1.961 0.020 . 1 . . . A 3 VAL HB . 25613 1 23 . 1 1 3 3 VAL HG11 H 1 0.958 0.020 . 2 . . . A 3 VAL QG1 . 25613 1 24 . 1 1 3 3 VAL HG12 H 1 0.958 0.020 . 2 . . . A 3 VAL QG1 . 25613 1 25 . 1 1 3 3 VAL HG13 H 1 0.958 0.020 . 2 . . . A 3 VAL QG1 . 25613 1 26 . 1 1 3 3 VAL HG21 H 1 0.919 0.020 . 2 . . . A 3 VAL QG2 . 25613 1 27 . 1 1 3 3 VAL HG22 H 1 0.919 0.020 . 2 . . . A 3 VAL QG2 . 25613 1 28 . 1 1 3 3 VAL HG23 H 1 0.919 0.020 . 2 . . . A 3 VAL QG2 . 25613 1 29 . 1 1 3 3 VAL CA C 13 64.772 0.200 . 1 . . . A 3 VAL CA . 25613 1 30 . 1 1 3 3 VAL CB C 13 31.596 0.200 . 1 . . . A 3 VAL CB . 25613 1 31 . 1 1 4 4 GLU H H 1 8.161 0.020 . 1 . . . A 4 GLU H . 25613 1 32 . 1 1 4 4 GLU HA H 1 4.291 0.020 . 1 . . . A 4 GLU HA . 25613 1 33 . 1 1 4 4 GLU HB2 H 1 2.134 0.020 . 2 . . . A 4 GLU QB . 25613 1 34 . 1 1 4 4 GLU HB3 H 1 2.134 0.020 . 2 . . . A 4 GLU QB . 25613 1 35 . 1 1 4 4 GLU HG2 H 1 2.536 0.020 . 2 . . . A 4 GLU QG . 25613 1 36 . 1 1 4 4 GLU HG3 H 1 2.536 0.020 . 2 . . . A 4 GLU QG . 25613 1 37 . 1 1 4 4 GLU CA C 13 57.076 0.200 . 1 . . . A 4 GLU CA . 25613 1 38 . 1 1 4 4 GLU CB C 13 27.783 0.200 . 1 . . . A 4 GLU CB . 25613 1 39 . 1 1 4 4 GLU CG C 13 32.902 0.200 . 1 . . . A 4 GLU CG . 25613 1 40 . 1 1 5 5 GLN H H 1 8.29 0.020 . 1 . . . A 5 GLN H . 25613 1 41 . 1 1 5 5 GLN HA H 1 4.125 0.020 . 1 . . . A 5 GLN HA . 25613 1 42 . 1 1 5 5 GLN HB2 H 1 2.154 0.020 . 2 . . . A 5 GLN HB2 . 25613 1 43 . 1 1 5 5 GLN HB3 H 1 2.105 0.020 . 2 . . . A 5 GLN HB3 . 25613 1 44 . 1 1 5 5 GLN HG2 H 1 2.485 0.020 . 2 . . . A 5 GLN HG2 . 25613 1 45 . 1 1 5 5 GLN HG3 H 1 2.433 0.020 . 2 . . . A 5 GLN HG3 . 25613 1 46 . 1 1 5 5 GLN HE21 H 1 6.918 0.020 . 2 . . . A 5 GLN HE21 . 25613 1 47 . 1 1 5 5 GLN HE22 H 1 7.527 0.020 . 2 . . . A 5 GLN HE22 . 25613 1 48 . 1 1 5 5 GLN CA C 13 58.583 0.200 . 1 . . . A 5 GLN CA . 25613 1 49 . 1 1 5 5 GLN CB C 13 29.018 0.200 . 1 . . . A 5 GLN CB . 25613 1 50 . 1 1 5 5 GLN NE2 N 15 113.725 0.200 . 1 . . . A 5 GLN NE2 . 25613 1 51 . 1 1 6 6 CYS H H 1 8.369 0.020 . 1 . . . A 6 CYS H . 25613 1 52 . 1 1 6 6 CYS HA H 1 4.959 0.020 . 1 . . . A 6 CYS HA . 25613 1 53 . 1 1 6 6 CYS HB2 H 1 2.9 0.020 . 2 . . . A 6 CYS HB2 . 25613 1 54 . 1 1 6 6 CYS HB3 H 1 3.413 0.020 . 2 . . . A 6 CYS HB3 . 25613 1 55 . 1 1 7 7 CYS H H 1 8.308 0.020 . 1 . . . A 7 CYS H . 25613 1 56 . 1 1 7 7 CYS HA H 1 4.873 0.020 . 1 . . . A 7 CYS HA . 25613 1 57 . 1 1 7 7 CYS HB2 H 1 3.801 0.020 . 2 . . . A 7 CYS HB2 . 25613 1 58 . 1 1 7 7 CYS HB3 H 1 3.321 0.020 . 2 . . . A 7 CYS HB3 . 25613 1 59 . 1 1 7 7 CYS CB C 13 38.817 0.200 . 1 . . . A 7 CYS CB . 25613 1 60 . 1 1 8 8 THR H H 1 8.233 0.020 . 1 . . . A 8 THR H . 25613 1 61 . 1 1 8 8 THR HA H 1 4.11 0.020 . 1 . . . A 8 THR HA . 25613 1 62 . 1 1 8 8 THR HB H 1 4.425 0.020 . 1 . . . A 8 THR HB . 25613 1 63 . 1 1 8 8 THR HG21 H 1 1.277 0.020 . 1 . . . A 8 THR QG2 . 25613 1 64 . 1 1 8 8 THR HG22 H 1 1.277 0.020 . 1 . . . A 8 THR QG2 . 25613 1 65 . 1 1 8 8 THR HG23 H 1 1.277 0.020 . 1 . . . A 8 THR QG2 . 25613 1 66 . 1 1 8 8 THR CA C 13 64.398 0.200 . 1 . . . A 8 THR CA . 25613 1 67 . 1 1 8 8 THR CB C 13 68.493 0.200 . 1 . . . A 8 THR CB . 25613 1 68 . 1 1 9 9 SER H H 1 7.533 0.020 . 1 . . . A 9 SER H . 25613 1 69 . 1 1 9 9 SER HA H 1 4.816 0.020 . 1 . . . A 9 SER HA . 25613 1 70 . 1 1 9 9 SER HB2 H 1 4.063 0.020 . 2 . . . A 9 SER HB2 . 25613 1 71 . 1 1 9 9 SER HB3 H 1 3.925 0.020 . 2 . . . A 9 SER HB3 . 25613 1 72 . 1 1 9 9 SER CA C 13 55.989 0.200 . 1 . . . A 9 SER CA . 25613 1 73 . 1 1 9 9 SER CB C 13 64.007 0.200 . 1 . . . A 9 SER CB . 25613 1 74 . 1 1 10 10 ILE H H 1 7.876 0.020 . 1 . . . A 10 ILE H . 25613 1 75 . 1 1 10 10 ILE HA H 1 4.378 0.020 . 1 . . . A 10 ILE HA . 25613 1 76 . 1 1 10 10 ILE HB H 1 1.608 0.020 . 1 . . . A 10 ILE HB . 25613 1 77 . 1 1 10 10 ILE HG12 H 1 1.133 0.020 . 2 . . . A 10 ILE HG12 . 25613 1 78 . 1 1 10 10 ILE HG13 H 1 0.498 0.020 . 2 . . . A 10 ILE HG13 . 25613 1 79 . 1 1 10 10 ILE HG21 H 1 0.677 0.020 . 1 . . . A 10 ILE QG2 . 25613 1 80 . 1 1 10 10 ILE HG22 H 1 0.677 0.020 . 1 . . . A 10 ILE QG2 . 25613 1 81 . 1 1 10 10 ILE HG23 H 1 0.677 0.020 . 1 . . . A 10 ILE QG2 . 25613 1 82 . 1 1 10 10 ILE HD11 H 1 0.547 0.020 . 1 . . . A 10 ILE QD1 . 25613 1 83 . 1 1 10 10 ILE HD12 H 1 0.547 0.020 . 1 . . . A 10 ILE QD1 . 25613 1 84 . 1 1 10 10 ILE HD13 H 1 0.547 0.020 . 1 . . . A 10 ILE QD1 . 25613 1 85 . 1 1 10 10 ILE CA C 13 59.891 0.200 . 1 . . . A 10 ILE CA . 25613 1 86 . 1 1 10 10 ILE CB C 13 38.925 0.200 . 1 . . . A 10 ILE CB . 25613 1 87 . 1 1 10 10 ILE CG1 C 13 26.859 0.200 . 1 . . . A 10 ILE CG1 . 25613 1 88 . 1 1 10 10 ILE CG2 C 13 17.257 0.200 . 1 . . . A 10 ILE CG2 . 25613 1 89 . 1 1 10 10 ILE CD1 C 13 12.278 0.200 . 1 . . . A 10 ILE CD1 . 25613 1 90 . 1 1 11 11 CYS H H 1 9.71 0.020 . 1 . . . A 11 CYS H . 25613 1 91 . 1 1 11 11 CYS HA H 1 4.966 0.020 . 1 . . . A 11 CYS HA . 25613 1 92 . 1 1 11 11 CYS HB2 H 1 3.238 0.020 . 2 . . . A 11 CYS HB2 . 25613 1 93 . 1 1 12 12 SER H H 1 8.799 0.020 . 1 . . . A 12 SER H . 25613 1 94 . 1 1 12 12 SER HA H 1 4.635 0.020 . 1 . . . A 12 SER HA . 25613 1 95 . 1 1 12 12 SER HB2 H 1 4.341 0.020 . 2 . . . A 12 SER HB2 . 25613 1 96 . 1 1 12 12 SER HB3 H 1 4.04 0.020 . 2 . . . A 12 SER HB3 . 25613 1 97 . 1 1 12 12 SER CA C 13 56.435 0.200 . 1 . . . A 12 SER CA . 25613 1 98 . 1 1 12 12 SER CB C 13 65.596 0.200 . 1 . . . A 12 SER CB . 25613 1 99 . 1 1 13 13 LEU H H 1 8.652 0.020 . 1 . . . A 13 LEU H . 25613 1 100 . 1 1 13 13 LEU HA H 1 3.888 0.020 . 1 . . . A 13 LEU HA . 25613 1 101 . 1 1 13 13 LEU HB2 H 1 1.388 0.020 . 2 . . . A 13 LEU HB2 . 25613 1 102 . 1 1 13 13 LEU HB3 H 1 1.366 0.020 . 2 . . . A 13 LEU HB3 . 25613 1 103 . 1 1 13 13 LEU HG H 1 1.449 0.020 . 1 . . . A 13 LEU HG . 25613 1 104 . 1 1 13 13 LEU HD11 H 1 0.831 0.020 . 2 . . . A 13 LEU QD1 . 25613 1 105 . 1 1 13 13 LEU HD12 H 1 0.831 0.020 . 2 . . . A 13 LEU QD1 . 25613 1 106 . 1 1 13 13 LEU HD13 H 1 0.831 0.020 . 2 . . . A 13 LEU QD1 . 25613 1 107 . 1 1 13 13 LEU HD21 H 1 0.772 0.020 . 2 . . . A 13 LEU QD2 . 25613 1 108 . 1 1 13 13 LEU HD22 H 1 0.772 0.020 . 2 . . . A 13 LEU QD2 . 25613 1 109 . 1 1 13 13 LEU HD23 H 1 0.772 0.020 . 2 . . . A 13 LEU QD2 . 25613 1 110 . 1 1 13 13 LEU CA C 13 58.229 0.200 . 1 . . . A 13 LEU CA . 25613 1 111 . 1 1 13 13 LEU CB C 13 41.147 0.200 . 1 . . . A 13 LEU CB . 25613 1 112 . 1 1 14 14 TYR H H 1 7.517 0.020 . 1 . . . A 14 TYR H . 25613 1 113 . 1 1 14 14 TYR HA H 1 4.193 0.020 . 1 . . . A 14 TYR HA . 25613 1 114 . 1 1 14 14 TYR HD1 H 1 7.086 0.020 . 3 . . . A 14 TYR HD1 . 25613 1 115 . 1 1 14 14 TYR HD2 H 1 7.086 0.020 . 3 . . . A 14 TYR HD2 . 25613 1 116 . 1 1 14 14 TYR HE1 H 1 6.862 0.020 . 3 . . . A 14 TYR HE1 . 25613 1 117 . 1 1 14 14 TYR HE2 H 1 6.862 0.020 . 3 . . . A 14 TYR HE2 . 25613 1 118 . 1 1 14 14 TYR CA C 13 59.98 0.200 . 1 . . . A 14 TYR CA . 25613 1 119 . 1 1 14 14 TYR CB C 13 37.621 0.200 . 1 . . . A 14 TYR CB . 25613 1 120 . 1 1 15 15 GLN H H 1 7.581 0.020 . 1 . . . A 15 GLN H . 25613 1 121 . 1 1 15 15 GLN HA H 1 4.015 0.020 . 1 . . . A 15 GLN HA . 25613 1 122 . 1 1 15 15 GLN HB2 H 1 2.41 0.020 . 2 . . . A 15 GLN HB2 . 25613 1 123 . 1 1 15 15 GLN HB3 H 1 2.069 0.020 . 2 . . . A 15 GLN HB3 . 25613 1 124 . 1 1 15 15 GLN HG2 H 1 2.481 0.020 . 2 . . . A 15 GLN HG2 . 25613 1 125 . 1 1 15 15 GLN HG3 H 1 2.413 0.020 . 2 . . . A 15 GLN HG3 . 25613 1 126 . 1 1 15 15 GLN HE21 H 1 6.979 0.020 . 2 . . . A 15 GLN HE21 . 25613 1 127 . 1 1 15 15 GLN HE22 H 1 7.528 0.020 . 2 . . . A 15 GLN HE22 . 25613 1 128 . 1 1 15 15 GLN CA C 13 58.462 0.200 . 1 . . . A 15 GLN CA . 25613 1 129 . 1 1 15 15 GLN CB C 13 28.947 0.200 . 1 . . . A 15 GLN CB . 25613 1 130 . 1 1 15 15 GLN CG C 13 35.016 0.200 . 1 . . . A 15 GLN CG . 25613 1 131 . 1 1 15 15 GLN NE2 N 15 113.833 0.200 . 1 . . . A 15 GLN NE2 . 25613 1 132 . 1 1 16 16 LEU H H 1 8.084 0.020 . 1 . . . A 16 LEU H . 25613 1 133 . 1 1 16 16 LEU HA H 1 4.205 0.020 . 1 . . . A 16 LEU HA . 25613 1 134 . 1 1 16 16 LEU HB2 H 1 1.969 0.020 . 2 . . . A 16 LEU HB2 . 25613 1 135 . 1 1 16 16 LEU HB3 H 1 1.591 0.020 . 2 . . . A 16 LEU HB3 . 25613 1 136 . 1 1 16 16 LEU HG H 1 1.781 0.020 . 1 . . . A 16 LEU HG . 25613 1 137 . 1 1 16 16 LEU HD11 H 1 0.869 0.020 . 2 . . . A 16 LEU QD1 . 25613 1 138 . 1 1 16 16 LEU HD12 H 1 0.869 0.020 . 2 . . . A 16 LEU QD1 . 25613 1 139 . 1 1 16 16 LEU HD13 H 1 0.869 0.020 . 2 . . . A 16 LEU QD1 . 25613 1 140 . 1 1 16 16 LEU HD21 H 1 0.833 0.020 . 2 . . . A 16 LEU QD2 . 25613 1 141 . 1 1 16 16 LEU HD22 H 1 0.833 0.020 . 2 . . . A 16 LEU QD2 . 25613 1 142 . 1 1 16 16 LEU HD23 H 1 0.833 0.020 . 2 . . . A 16 LEU QD2 . 25613 1 143 . 1 1 16 16 LEU CA C 13 58.035 0.200 . 1 . . . A 16 LEU CA . 25613 1 144 . 1 1 16 16 LEU CB C 13 41.867 0.200 . 1 . . . A 16 LEU CB . 25613 1 145 . 1 1 17 17 GLU H H 1 8.121 0.020 . 1 . . . A 17 GLU H . 25613 1 146 . 1 1 17 17 GLU HA H 1 4.227 0.020 . 1 . . . A 17 GLU HA . 25613 1 147 . 1 1 17 17 GLU HB2 H 1 2.152 0.020 . 2 . . . A 17 GLU HB2 . 25613 1 148 . 1 1 17 17 GLU HB3 H 1 2.087 0.020 . 2 . . . A 17 GLU HB3 . 25613 1 149 . 1 1 17 17 GLU HG2 H 1 2.615 0.020 . 2 . . . A 17 GLU HG2 . 25613 1 150 . 1 1 17 17 GLU HG3 H 1 2.393 0.020 . 2 . . . A 17 GLU HG3 . 25613 1 151 . 1 1 17 17 GLU CA C 13 57.67 0.200 . 1 . . . A 17 GLU CA . 25613 1 152 . 1 1 17 17 GLU CB C 13 28.976 0.200 . 1 . . . A 17 GLU CB . 25613 1 153 . 1 1 17 17 GLU CG C 13 33.429 0.200 . 1 . . . A 17 GLU CG . 25613 1 154 . 1 1 18 18 ASN H H 1 7.469 0.020 . 1 . . . A 18 ASN H . 25613 1 155 . 1 1 18 18 ASN HA H 1 4.52 0.020 . 1 . . . A 18 ASN HA . 25613 1 156 . 1 1 18 18 ASN HB2 H 1 2.649 0.020 . 2 . . . A 18 ASN HB2 . 25613 1 157 . 1 1 18 18 ASN HB3 H 1 2.593 0.020 . 2 . . . A 18 ASN HB3 . 25613 1 158 . 1 1 18 18 ASN HD21 H 1 6.559 0.020 . 2 . . . A 18 ASN HD21 . 25613 1 159 . 1 1 18 18 ASN HD22 H 1 7.207 0.020 . 2 . . . A 18 ASN HD22 . 25613 1 160 . 1 1 18 18 ASN CA C 13 54.719 0.200 . 1 . . . A 18 ASN CA . 25613 1 161 . 1 1 18 18 ASN CB C 13 38.379 0.200 . 1 . . . A 18 ASN CB . 25613 1 162 . 1 1 18 18 ASN ND2 N 15 113.823 0.200 . 1 . . . A 18 ASN ND2 . 25613 1 163 . 1 1 19 19 TYR H H 1 7.928 0.020 . 1 . . . A 19 TYR H . 25613 1 164 . 1 1 19 19 TYR HA H 1 4.528 0.020 . 1 . . . A 19 TYR HA . 25613 1 165 . 1 1 19 19 TYR HB2 H 1 3.355 0.020 . 2 . . . A 19 TYR HB2 . 25613 1 166 . 1 1 19 19 TYR HB3 H 1 3.043 0.020 . 2 . . . A 19 TYR HB3 . 25613 1 167 . 1 1 19 19 TYR HD1 H 1 7.365 0.020 . 3 . . . A 19 TYR HD1 . 25613 1 168 . 1 1 19 19 TYR HD2 H 1 7.365 0.020 . 3 . . . A 19 TYR HD2 . 25613 1 169 . 1 1 19 19 TYR HE1 H 1 6.823 0.020 . 3 . . . A 19 TYR HE1 . 25613 1 170 . 1 1 19 19 TYR HE2 H 1 6.823 0.020 . 3 . . . A 19 TYR HE2 . 25613 1 171 . 1 1 19 19 TYR CA C 13 58.92 0.200 . 1 . . . A 19 TYR CA . 25613 1 172 . 1 1 19 19 TYR CB C 13 38.272 0.200 . 1 . . . A 19 TYR CB . 25613 1 173 . 1 1 20 20 CYS H H 1 7.484 0.020 . 1 . . . A 20 CYS H . 25613 1 174 . 1 1 20 20 CYS HA H 1 4.967 0.020 . 1 . . . A 20 CYS HA . 25613 1 175 . 1 1 20 20 CYS HB2 H 1 3.306 0.020 . 2 . . . A 20 CYS HB2 . 25613 1 176 . 1 1 20 20 CYS HB3 H 1 2.89 0.020 . 2 . . . A 20 CYS HB3 . 25613 1 177 . 1 1 20 20 CYS CB C 13 35.81 0.200 . 1 . . . A 20 CYS CB . 25613 1 178 . 1 1 21 21 ASN H H 1 8.334 0.020 . 1 . . . A 21 ASN H . 25613 1 179 . 1 1 21 21 ASN HA H 1 4.756 0.020 . 1 . . . A 21 ASN HA . 25613 1 180 . 1 1 21 21 ASN HB2 H 1 2.922 0.020 . 2 . . . A 21 ASN HB2 . 25613 1 181 . 1 1 21 21 ASN HB3 H 1 2.801 0.020 . 2 . . . A 21 ASN HB3 . 25613 1 182 . 1 1 21 21 ASN HD21 H 1 6.683 0.020 . 2 . . . A 21 ASN HD21 . 25613 1 183 . 1 1 21 21 ASN HD22 H 1 7.544 0.020 . 2 . . . A 21 ASN HD22 . 25613 1 184 . 1 1 21 21 ASN CA C 13 53.008 0.200 . 1 . . . A 21 ASN CA . 25613 1 185 . 1 1 21 21 ASN CB C 13 38.145 0.200 . 1 . . . A 21 ASN CB . 25613 1 186 . 1 1 21 21 ASN ND2 N 15 113.942 0.200 . 1 . . . A 21 ASN ND2 . 25613 1 187 . 2 2 1 1 PHE HA H 1 4.294 0.020 . 1 . . . B 22 PHE HA . 25613 1 188 . 2 2 1 1 PHE HB2 H 1 3.194 0.020 . 2 . . . B 22 PHE QB . 25613 1 189 . 2 2 1 1 PHE HB3 H 1 3.194 0.020 . 2 . . . B 22 PHE QB . 25613 1 190 . 2 2 1 1 PHE HD1 H 1 7.244 0.020 . 3 . . . B 22 PHE QD . 25613 1 191 . 2 2 1 1 PHE HD2 H 1 7.244 0.020 . 3 . . . B 22 PHE QD . 25613 1 192 . 2 2 1 1 PHE HE1 H 1 7.376 0.020 . 3 . . . B 22 PHE QE . 25613 1 193 . 2 2 1 1 PHE HE2 H 1 7.376 0.020 . 3 . . . B 22 PHE QE . 25613 1 194 . 2 2 1 1 PHE HZ H 1 7.313 0.020 . 1 . . . B 22 PHE HZ . 25613 1 195 . 2 2 1 1 PHE CA C 13 57.076 0.200 . 1 . . . B 22 PHE CA . 25613 1 196 . 2 2 1 1 PHE CB C 13 39.622 0.200 . 1 . . . B 22 PHE CB . 25613 1 197 . 2 2 2 2 VAL H H 1 8.16 0.020 . 1 . . . B 23 VAL H . 25613 1 198 . 2 2 2 2 VAL HA H 1 4.166 0.020 . 1 . . . B 23 VAL HA . 25613 1 199 . 2 2 2 2 VAL HB H 1 1.924 0.020 . 1 . . . B 23 VAL HB . 25613 1 200 . 2 2 2 2 VAL HG11 H 1 0.879 0.020 . 2 . . . B 23 VAL QQG . 25613 1 201 . 2 2 2 2 VAL HG12 H 1 0.879 0.020 . 2 . . . B 23 VAL QQG . 25613 1 202 . 2 2 2 2 VAL HG13 H 1 0.879 0.020 . 2 . . . B 23 VAL QQG . 25613 1 203 . 2 2 2 2 VAL HG11 H 1 0.879 0.020 . 1 . . . B 23 VAL QQG . 25613 1 204 . 2 2 2 2 VAL HG12 H 1 0.879 0.020 . 1 . . . B 23 VAL QQG . 25613 1 205 . 2 2 2 2 VAL HG13 H 1 0.879 0.020 . 1 . . . B 23 VAL QQG . 25613 1 206 . 2 2 2 2 VAL CA C 13 61.495 0.200 . 1 . . . B 23 VAL CA . 25613 1 207 . 2 2 2 2 VAL CB C 13 33.157 0.200 . 1 . . . B 23 VAL CB . 25613 1 208 . 2 2 3 3 ASN H H 1 8.507 0.020 . 1 . . . B 24 ASN H . 25613 1 209 . 2 2 3 3 ASN HA H 1 4.756 0.020 . 1 . . . B 24 ASN HA . 25613 1 210 . 2 2 3 3 ASN HB2 H 1 2.75 0.020 . 2 . . . B 24 ASN QB . 25613 1 211 . 2 2 3 3 ASN HB3 H 1 2.75 0.020 . 2 . . . B 24 ASN QB . 25613 1 212 . 2 2 3 3 ASN HD21 H 1 6.947 0.020 . 2 . . . B 24 ASN HD21 . 25613 1 213 . 2 2 3 3 ASN HD22 H 1 7.561 0.020 . 2 . . . B 24 ASN HD22 . 25613 1 214 . 2 2 3 3 ASN CA C 13 52.578 0.200 . 1 . . . B 24 ASN CA . 25613 1 215 . 2 2 3 3 ASN CB C 13 38.32 0.200 . 1 . . . B 24 ASN CB . 25613 1 216 . 2 2 3 3 ASN ND2 N 15 113.636 0.200 . 1 . . . B 24 ASN ND2 . 25613 1 217 . 2 2 4 4 GLN H H 1 8.449 0.020 . 1 . . . B 25 GLN H . 25613 1 218 . 2 2 4 4 GLN HA H 1 4.53 0.020 . 1 . . . B 25 GLN HA . 25613 1 219 . 2 2 4 4 GLN HB2 H 1 2.131 0.020 . 2 . . . B 25 GLN HB2 . 25613 1 220 . 2 2 4 4 GLN HB3 H 1 1.951 0.020 . 2 . . . B 25 GLN HB3 . 25613 1 221 . 2 2 4 4 GLN HG2 H 1 2.295 0.020 . 2 . . . B 25 GLN HG2 . 25613 1 222 . 2 2 4 4 GLN HG3 H 1 2.179 0.020 . 2 . . . B 25 GLN HG3 . 25613 1 223 . 2 2 4 4 GLN HE21 H 1 6.828 0.020 . 2 . . . B 25 GLN HE21 . 25613 1 224 . 2 2 4 4 GLN HE22 H 1 7.361 0.020 . 2 . . . B 25 GLN HE22 . 25613 1 225 . 2 2 4 4 GLN CA C 13 54.619 0.200 . 1 . . . B 25 GLN CA . 25613 1 226 . 2 2 4 4 GLN CB C 13 31.043 0.200 . 1 . . . B 25 GLN CB . 25613 1 227 . 2 2 4 4 GLN CG C 13 33.052 0.200 . 1 . . . B 25 GLN CG . 25613 1 228 . 2 2 4 4 GLN NE2 N 15 113.557 0.200 . 1 . . . B 25 GLN NE2 . 25613 1 229 . 2 2 5 5 HIS H H 1 8.672 0.020 . 1 . . . B 26 HIS H . 25613 1 230 . 2 2 5 5 HIS HA H 1 4.501 0.020 . 1 . . . B 26 HIS HA . 25613 1 231 . 2 2 5 5 HIS HB2 H 1 3.594 0.020 . 2 . . . B 26 HIS HB2 . 25613 1 232 . 2 2 5 5 HIS HB3 H 1 3.289 0.020 . 2 . . . B 26 HIS HB3 . 25613 1 233 . 2 2 5 5 HIS HD2 H 1 7.417 0.020 . 1 . . . B 26 HIS HD2 . 25613 1 234 . 2 2 5 5 HIS HE1 H 1 8.612 0.020 . 1 . . . B 26 HIS HE1 . 25613 1 235 . 2 2 5 5 HIS CA C 13 56.762 0.200 . 1 . . . B 26 HIS CA . 25613 1 236 . 2 2 5 5 HIS CB C 13 28.158 0.200 . 1 . . . B 26 HIS CB . 25613 1 237 . 2 2 6 6 LEU H H 1 9.002 0.020 . 1 . . . B 27 LEU H . 25613 1 238 . 2 2 6 6 LEU HA H 1 4.548 0.020 . 1 . . . B 27 LEU HA . 25613 1 239 . 2 2 6 6 LEU HB2 H 1 1.797 0.020 . 2 . . . B 27 LEU HB2 . 25613 1 240 . 2 2 6 6 LEU HB3 H 1 0.915 0.020 . 2 . . . B 27 LEU HB3 . 25613 1 241 . 2 2 6 6 LEU HG H 1 1.643 0.020 . 1 . . . B 27 LEU HG . 25613 1 242 . 2 2 6 6 LEU HD11 H 1 0.923 0.020 . 2 . . . B 27 LEU QD1 . 25613 1 243 . 2 2 6 6 LEU HD12 H 1 0.923 0.020 . 2 . . . B 27 LEU QD1 . 25613 1 244 . 2 2 6 6 LEU HD13 H 1 0.923 0.020 . 2 . . . B 27 LEU QD1 . 25613 1 245 . 2 2 6 6 LEU HD21 H 1 0.768 0.020 . 2 . . . B 27 LEU QD2 . 25613 1 246 . 2 2 6 6 LEU HD22 H 1 0.768 0.020 . 2 . . . B 27 LEU QD2 . 25613 1 247 . 2 2 6 6 LEU HD23 H 1 0.768 0.020 . 2 . . . B 27 LEU QD2 . 25613 1 248 . 2 2 6 6 LEU CA C 13 53.903 0.200 . 1 . . . B 27 LEU CA . 25613 1 249 . 2 2 6 6 LEU CB C 13 44.776 0.200 . 1 . . . B 27 LEU CB . 25613 1 250 . 2 2 7 7 CYS H H 1 8.366 0.020 . 1 . . . B 28 CYS H . 25613 1 251 . 2 2 7 7 CYS HA H 1 5.018 0.020 . 1 . . . B 28 CYS HA . 25613 1 252 . 2 2 7 7 CYS HB2 H 1 3.258 0.020 . 2 . . . B 28 CYS HB2 . 25613 1 253 . 2 2 7 7 CYS HB3 H 1 3.001 0.020 . 2 . . . B 28 CYS HB3 . 25613 1 254 . 2 2 7 7 CYS CB C 13 47.287 0.200 . 1 . . . B 28 CYS CB . 25613 1 255 . 2 2 8 8 GLY H H 1 9.288 0.020 . 1 . . . B 29 GLY H . 25613 1 256 . 2 2 8 8 GLY HA2 H 1 4.033 0.020 . 2 . . . B 29 GLY HA2 . 25613 1 257 . 2 2 8 8 GLY HA3 H 1 3.878 0.020 . 2 . . . B 29 GLY HA3 . 25613 1 258 . 2 2 8 8 GLY CA C 13 46.54 0.200 . 1 . . . B 29 GLY CA . 25613 1 259 . 2 2 9 9 SER H H 1 9.115 0.020 . 1 . . . B 30 SER H . 25613 1 260 . 2 2 9 9 SER HA H 1 4.157 0.020 . 1 . . . B 30 SER HA . 25613 1 261 . 2 2 9 9 SER HB2 H 1 3.938 0.020 . 2 . . . B 30 SER QB . 25613 1 262 . 2 2 9 9 SER HB3 H 1 3.938 0.020 . 2 . . . B 30 SER QB . 25613 1 263 . 2 2 9 9 SER CA C 13 61.28 0.200 . 1 . . . B 30 SER CA . 25613 1 264 . 2 2 9 9 SER CB C 13 62.264 0.200 . 1 . . . B 30 SER CB . 25613 1 265 . 2 2 10 10 HIS H H 1 8.042 0.020 . 1 . . . B 31 HIS H . 25613 1 266 . 2 2 10 10 HIS HA H 1 4.568 0.020 . 1 . . . B 31 HIS HA . 25613 1 267 . 2 2 10 10 HIS HB2 H 1 3.615 0.020 . 2 . . . B 31 HIS HB2 . 25613 1 268 . 2 2 10 10 HIS HB3 H 1 3.344 0.020 . 2 . . . B 31 HIS HB3 . 25613 1 269 . 2 2 10 10 HIS HD2 H 1 7.51 0.020 . 1 . . . B 31 HIS HD2 . 25613 1 270 . 2 2 10 10 HIS HE1 H 1 8.721 0.020 . 1 . . . B 31 HIS HE1 . 25613 1 271 . 2 2 10 10 HIS CA C 13 57.305 0.200 . 1 . . . B 31 HIS CA . 25613 1 272 . 2 2 10 10 HIS CB C 13 27.858 0.200 . 1 . . . B 31 HIS CB . 25613 1 273 . 2 2 11 11 LEU H H 1 7.122 0.020 . 1 . . . B 32 LEU H . 25613 1 274 . 2 2 11 11 LEU HA H 1 4.058 0.020 . 1 . . . B 32 LEU HA . 25613 1 275 . 2 2 11 11 LEU HB2 H 1 1.917 0.020 . 2 . . . B 32 LEU HB2 . 25613 1 276 . 2 2 11 11 LEU HB3 H 1 1.279 0.020 . 2 . . . B 32 LEU HB3 . 25613 1 277 . 2 2 11 11 LEU HG H 1 1.351 0.020 . 1 . . . B 32 LEU HG . 25613 1 278 . 2 2 11 11 LEU HD11 H 1 0.831 0.020 . 2 . . . B 32 LEU QD1 . 25613 1 279 . 2 2 11 11 LEU HD12 H 1 0.831 0.020 . 2 . . . B 32 LEU QD1 . 25613 1 280 . 2 2 11 11 LEU HD13 H 1 0.831 0.020 . 2 . . . B 32 LEU QD1 . 25613 1 281 . 2 2 11 11 LEU HD21 H 1 0.769 0.020 . 2 . . . B 32 LEU QD2 . 25613 1 282 . 2 2 11 11 LEU HD22 H 1 0.769 0.020 . 2 . . . B 32 LEU QD2 . 25613 1 283 . 2 2 11 11 LEU HD23 H 1 0.769 0.020 . 2 . . . B 32 LEU QD2 . 25613 1 284 . 2 2 11 11 LEU CA C 13 57.504 0.200 . 1 . . . B 32 LEU CA . 25613 1 285 . 2 2 11 11 LEU CB C 13 40.008 0.200 . 1 . . . B 32 LEU CB . 25613 1 286 . 2 2 12 12 VAL H H 1 7.195 0.020 . 1 . . . B 33 VAL H . 25613 1 287 . 2 2 12 12 VAL HA H 1 3.349 0.020 . 1 . . . B 33 VAL HA . 25613 1 288 . 2 2 12 12 VAL HB H 1 2.088 0.020 . 1 . . . B 33 VAL HB . 25613 1 289 . 2 2 12 12 VAL HG11 H 1 0.989 0.020 . 2 . . . B 33 VAL QG1 . 25613 1 290 . 2 2 12 12 VAL HG12 H 1 0.989 0.020 . 2 . . . B 33 VAL QG1 . 25613 1 291 . 2 2 12 12 VAL HG13 H 1 0.989 0.020 . 2 . . . B 33 VAL QG1 . 25613 1 292 . 2 2 12 12 VAL HG21 H 1 0.972 0.020 . 2 . . . B 33 VAL QG2 . 25613 1 293 . 2 2 12 12 VAL HG22 H 1 0.972 0.020 . 2 . . . B 33 VAL QG2 . 25613 1 294 . 2 2 12 12 VAL HG23 H 1 0.972 0.020 . 2 . . . B 33 VAL QG2 . 25613 1 295 . 2 2 12 12 VAL CA C 13 66.616 0.200 . 1 . . . B 33 VAL CA . 25613 1 296 . 2 2 12 12 VAL CB C 13 31.508 0.200 . 1 . . . B 33 VAL CB . 25613 1 297 . 2 2 13 13 GLU H H 1 7.976 0.020 . 1 . . . B 34 GLU H . 25613 1 298 . 2 2 13 13 GLU HA H 1 4.152 0.020 . 1 . . . B 34 GLU HA . 25613 1 299 . 2 2 13 13 GLU HB2 H 1 2.212 0.020 . 2 . . . B 34 GLU HB2 . 25613 1 300 . 2 2 13 13 GLU HB3 H 1 2.133 0.020 . 2 . . . B 34 GLU HB3 . 25613 1 301 . 2 2 13 13 GLU HG2 H 1 2.588 0.020 . 2 . . . B 34 GLU QG . 25613 1 302 . 2 2 13 13 GLU HG3 H 1 2.588 0.020 . 2 . . . B 34 GLU QG . 25613 1 303 . 2 2 13 13 GLU CA C 13 58.551 0.200 . 1 . . . B 34 GLU CA . 25613 1 304 . 2 2 13 13 GLU CB C 13 27.793 0.200 . 1 . . . B 34 GLU CB . 25613 1 305 . 2 2 14 14 ALA H H 1 7.747 0.020 . 1 . . . B 35 ALA H . 25613 1 306 . 2 2 14 14 ALA HA H 1 4.133 0.020 . 1 . . . B 35 ALA HA . 25613 1 307 . 2 2 14 14 ALA HB1 H 1 1.525 0.020 . 1 . . . B 35 ALA QB . 25613 1 308 . 2 2 14 14 ALA HB2 H 1 1.525 0.020 . 1 . . . B 35 ALA QB . 25613 1 309 . 2 2 14 14 ALA HB3 H 1 1.525 0.020 . 1 . . . B 35 ALA QB . 25613 1 310 . 2 2 14 14 ALA CA C 13 55.158 0.200 . 1 . . . B 35 ALA CA . 25613 1 311 . 2 2 14 14 ALA CB C 13 18.843 0.200 . 1 . . . B 35 ALA CB . 25613 1 312 . 2 2 15 15 LEU H H 1 8.067 0.020 . 1 . . . B 36 LEU H . 25613 1 313 . 2 2 15 15 LEU HA H 1 3.918 0.020 . 1 . . . B 36 LEU HA . 25613 1 314 . 2 2 15 15 LEU HB2 H 1 1.34 0.020 . 2 . . . B 36 LEU HB2 . 25613 1 315 . 2 2 15 15 LEU HB3 H 1 0.77 0.020 . 2 . . . B 36 LEU HB3 . 25613 1 316 . 2 2 15 15 LEU HG H 1 1.518 0.020 . 1 . . . B 36 LEU HG . 25613 1 317 . 2 2 15 15 LEU HD11 H 1 0.699 0.020 . 2 . . . B 36 LEU QD1 . 25613 1 318 . 2 2 15 15 LEU HD12 H 1 0.699 0.020 . 2 . . . B 36 LEU QD1 . 25613 1 319 . 2 2 15 15 LEU HD13 H 1 0.699 0.020 . 2 . . . B 36 LEU QD1 . 25613 1 320 . 2 2 15 15 LEU HD21 H 1 0.468 0.020 . 2 . . . B 36 LEU QD2 . 25613 1 321 . 2 2 15 15 LEU HD22 H 1 0.468 0.020 . 2 . . . B 36 LEU QD2 . 25613 1 322 . 2 2 15 15 LEU HD23 H 1 0.468 0.020 . 2 . . . B 36 LEU QD2 . 25613 1 323 . 2 2 15 15 LEU CA C 13 57.499 0.200 . 1 . . . B 36 LEU CA . 25613 1 324 . 2 2 15 15 LEU CB C 13 40.717 0.200 . 1 . . . B 36 LEU CB . 25613 1 325 . 2 2 15 15 LEU CD1 C 13 23.891 0.200 . 2 . . . B 36 LEU CD1 . 25613 1 326 . 2 2 15 15 LEU CD2 C 13 25.493 0.200 . 2 . . . B 36 LEU CD2 . 25613 1 327 . 2 2 16 16 TYR H H 1 8.212 0.020 . 1 . . . B 37 TYR H . 25613 1 328 . 2 2 16 16 TYR HA H 1 4.343 0.020 . 1 . . . B 37 TYR HA . 25613 1 329 . 2 2 16 16 TYR HB2 H 1 3.181 0.020 . 2 . . . B 37 TYR QB . 25613 1 330 . 2 2 16 16 TYR HB3 H 1 3.181 0.020 . 2 . . . B 37 TYR QB . 25613 1 331 . 2 2 16 16 TYR HD1 H 1 7.195 0.020 . 3 . . . B 37 TYR QD . 25613 1 332 . 2 2 16 16 TYR HD2 H 1 7.195 0.020 . 3 . . . B 37 TYR QD . 25613 1 333 . 2 2 16 16 TYR HE1 H 1 6.816 0.020 . 3 . . . B 37 TYR QE . 25613 1 334 . 2 2 16 16 TYR HE2 H 1 6.816 0.020 . 3 . . . B 37 TYR QE . 25613 1 335 . 2 2 16 16 TYR CA C 13 61.374 0.200 . 1 . . . B 37 TYR CA . 25613 1 336 . 2 2 16 16 TYR CB C 13 37.698 0.200 . 1 . . . B 37 TYR CB . 25613 1 337 . 2 2 17 17 LEU H H 1 7.848 0.020 . 1 . . . B 38 LEU H . 25613 1 338 . 2 2 17 17 LEU HA H 1 4.144 0.020 . 1 . . . B 38 LEU HA . 25613 1 339 . 2 2 17 17 LEU HB2 H 1 1.964 0.020 . 2 . . . B 38 LEU HB2 . 25613 1 340 . 2 2 17 17 LEU HB3 H 1 1.708 0.020 . 2 . . . B 38 LEU HB3 . 25613 1 341 . 2 2 17 17 LEU HG H 1 1.875 0.020 . 1 . . . B 38 LEU HG . 25613 1 342 . 2 2 17 17 LEU HD11 H 1 0.974 0.020 . 2 . . . B 38 LEU QD1 . 25613 1 343 . 2 2 17 17 LEU HD12 H 1 0.974 0.020 . 2 . . . B 38 LEU QD1 . 25613 1 344 . 2 2 17 17 LEU HD13 H 1 0.974 0.020 . 2 . . . B 38 LEU QD1 . 25613 1 345 . 2 2 17 17 LEU HD21 H 1 0.948 0.020 . 2 . . . B 38 LEU QD2 . 25613 1 346 . 2 2 17 17 LEU HD22 H 1 0.948 0.020 . 2 . . . B 38 LEU QD2 . 25613 1 347 . 2 2 17 17 LEU HD23 H 1 0.948 0.020 . 2 . . . B 38 LEU QD2 . 25613 1 348 . 2 2 17 17 LEU CA C 13 57.45 0.200 . 1 . . . B 38 LEU CA . 25613 1 349 . 2 2 17 17 LEU CB C 13 42.078 0.200 . 1 . . . B 38 LEU CB . 25613 1 350 . 2 2 18 18 VAL H H 1 8.577 0.020 . 1 . . . B 39 VAL H . 25613 1 351 . 2 2 18 18 VAL HA H 1 3.891 0.020 . 1 . . . B 39 VAL HA . 25613 1 352 . 2 2 18 18 VAL HB H 1 2.129 0.020 . 1 . . . B 39 VAL HB . 25613 1 353 . 2 2 18 18 VAL HG11 H 1 1.052 0.020 . 2 . . . B 39 VAL QG1 . 25613 1 354 . 2 2 18 18 VAL HG12 H 1 1.052 0.020 . 2 . . . B 39 VAL QG1 . 25613 1 355 . 2 2 18 18 VAL HG13 H 1 1.052 0.020 . 2 . . . B 39 VAL QG1 . 25613 1 356 . 2 2 18 18 VAL HG21 H 1 0.911 0.020 . 2 . . . B 39 VAL QG2 . 25613 1 357 . 2 2 18 18 VAL HG22 H 1 0.911 0.020 . 2 . . . B 39 VAL QG2 . 25613 1 358 . 2 2 18 18 VAL HG23 H 1 0.911 0.020 . 2 . . . B 39 VAL QG2 . 25613 1 359 . 2 2 18 18 VAL CA C 13 65.061 0.200 . 1 . . . B 39 VAL CA . 25613 1 360 . 2 2 18 18 VAL CB C 13 32.312 0.200 . 1 . . . B 39 VAL CB . 25613 1 361 . 2 2 19 19 CYS H H 1 8.775 0.020 . 1 . . . B 40 CYS H . 25613 1 362 . 2 2 19 19 CYS HA H 1 4.841 0.020 . 1 . . . B 40 CYS HA . 25613 1 363 . 2 2 19 19 CYS HB2 H 1 3.292 0.020 . 2 . . . B 40 CYS HB2 . 25613 1 364 . 2 2 19 19 CYS HB3 H 1 2.972 0.020 . 2 . . . B 40 CYS HB3 . 25613 1 365 . 2 2 19 19 CYS CA C 13 54.183 0.200 . 1 . . . B 40 CYS CA . 25613 1 366 . 2 2 19 19 CYS CB C 13 36.283 0.200 . 1 . . . B 40 CYS CB . 25613 1 367 . 2 2 20 20 GLY H H 1 7.75 0.020 . 1 . . . B 41 GLY H . 25613 1 368 . 2 2 20 20 GLY HA2 H 1 3.998 0.020 . 2 . . . B 41 GLY QA . 25613 1 369 . 2 2 20 20 GLY HA3 H 1 3.998 0.020 . 2 . . . B 41 GLY QA . 25613 1 370 . 2 2 20 20 GLY CA C 13 46.333 0.200 . 1 . . . B 41 GLY CA . 25613 1 371 . 2 2 20 20 GLY N N 15 110.506 0.200 . 1 . . . B 41 GLY N . 25613 1 372 . 2 2 21 21 GLU H H 1 8.571 0.020 . 1 . . . B 42 GLU H . 25613 1 373 . 2 2 21 21 GLU HA H 1 4.26 0.020 . 1 . . . B 42 GLU HA . 25613 1 374 . 2 2 21 21 GLU HB2 H 1 2.233 0.020 . 2 . . . B 42 GLU HB2 . 25613 1 375 . 2 2 21 21 GLU HB3 H 1 2.139 0.020 . 2 . . . B 42 GLU HB3 . 25613 1 376 . 2 2 21 21 GLU HG2 H 1 2.569 0.020 . 2 . . . B 42 GLU QG . 25613 1 377 . 2 2 21 21 GLU HG3 H 1 2.569 0.020 . 2 . . . B 42 GLU QG . 25613 1 378 . 2 2 21 21 GLU CA C 13 56.811 0.200 . 1 . . . B 42 GLU CA . 25613 1 379 . 2 2 21 21 GLU CB C 13 27.815 0.200 . 1 . . . B 42 GLU CB . 25613 1 380 . 2 2 22 22 ARG H H 1 8.052 0.020 . 1 . . . B 43 ARG H . 25613 1 381 . 2 2 22 22 ARG HA H 1 4.244 0.020 . 1 . . . B 43 ARG HA . 25613 1 382 . 2 2 22 22 ARG HB2 H 1 2.021 0.020 . 2 . . . B 43 ARG QB . 25613 1 383 . 2 2 22 22 ARG HB3 H 1 2.021 0.020 . 2 . . . B 43 ARG QB . 25613 1 384 . 2 2 22 22 ARG HG2 H 1 1.82 0.020 . 2 . . . B 43 ARG QG . 25613 1 385 . 2 2 22 22 ARG HG3 H 1 1.82 0.020 . 2 . . . B 43 ARG QG . 25613 1 386 . 2 2 22 22 ARG HD2 H 1 3.314 0.020 . 2 . . . B 43 ARG QD . 25613 1 387 . 2 2 22 22 ARG HD3 H 1 3.314 0.020 . 2 . . . B 43 ARG QD . 25613 1 388 . 2 2 22 22 ARG HE H 1 7.151 0.020 . 1 . . . B 43 ARG HE . 25613 1 389 . 2 2 22 22 ARG CA C 13 57.025 0.200 . 1 . . . B 43 ARG CA . 25613 1 390 . 2 2 22 22 ARG CB C 13 30.415 0.200 . 1 . . . B 43 ARG CB . 25613 1 391 . 2 2 22 22 ARG CD C 13 43.589 0.200 . 1 . . . B 43 ARG CD . 25613 1 392 . 2 2 23 23 GLY H H 1 7.642 0.020 . 1 . . . B 44 GLY H . 25613 1 393 . 2 2 23 23 GLY HA2 H 1 4.077 0.020 . 2 . . . B 44 GLY HA2 . 25613 1 394 . 2 2 23 23 GLY HA3 H 1 3.894 0.020 . 2 . . . B 44 GLY HA3 . 25613 1 395 . 2 2 23 23 GLY CA C 13 44.757 0.200 . 1 . . . B 44 GLY CA . 25613 1 396 . 2 2 24 24 PHE H H 1 7.734 0.020 . 1 . . . B 45 PHE H . 25613 1 397 . 2 2 24 24 PHE HA H 1 4.939 0.020 . 1 . . . B 45 PHE HA . 25613 1 398 . 2 2 24 24 PHE HB2 H 1 3.224 0.020 . 2 . . . B 45 PHE HB2 . 25613 1 399 . 2 2 24 24 PHE HB3 H 1 2.997 0.020 . 2 . . . B 45 PHE HB3 . 25613 1 400 . 2 2 24 24 PHE HD1 H 1 6.985 0.020 . 3 . . . B 45 PHE QD . 25613 1 401 . 2 2 24 24 PHE HD2 H 1 6.985 0.020 . 3 . . . B 45 PHE QD . 25613 1 402 . 2 2 24 24 PHE HE1 H 1 7.102 0.020 . 3 . . . B 45 PHE QE . 25613 1 403 . 2 2 24 24 PHE HE2 H 1 7.102 0.020 . 3 . . . B 45 PHE QE . 25613 1 404 . 2 2 24 24 PHE CB C 13 40.706 0.200 . 1 . . . B 45 PHE CB . 25613 1 405 . 2 2 25 25 PHE H H 1 8.451 0.020 . 1 . . . B 46 PHE H . 25613 1 406 . 2 2 25 25 PHE HA H 1 4.673 0.020 . 1 . . . B 46 PHE HA . 25613 1 407 . 2 2 25 25 PHE HB2 H 1 3.129 0.020 . 2 . . . B 46 PHE QB . 25613 1 408 . 2 2 25 25 PHE HB3 H 1 3.129 0.020 . 2 . . . B 46 PHE QB . 25613 1 409 . 2 2 25 25 PHE HD1 H 1 7.255 0.020 . 3 . . . B 46 PHE QD . 25613 1 410 . 2 2 25 25 PHE HD2 H 1 7.255 0.020 . 3 . . . B 46 PHE QD . 25613 1 411 . 2 2 25 25 PHE HE1 H 1 7.322 0.020 . 3 . . . B 46 PHE QE . 25613 1 412 . 2 2 25 25 PHE HE2 H 1 7.322 0.020 . 3 . . . B 46 PHE QE . 25613 1 413 . 2 2 25 25 PHE CA C 13 57.344 0.200 . 1 . . . B 46 PHE CA . 25613 1 414 . 2 2 25 25 PHE CB C 13 39.769 0.200 . 1 . . . B 46 PHE CB . 25613 1 415 . 2 2 26 26 NVA CA C 13 55.123 0.200 . 1 . . . B 47 NVA CA . 25613 1 416 . 2 2 26 26 NVA CB C 13 32.113 0.200 . 1 . . . B 47 NVA CB . 25613 1 417 . 2 2 26 26 NVA CD C 13 52.596 0.200 . 1 . . . B 47 NVA CD . 25613 1 418 . 2 2 26 26 NVA H H 1 7.902 0.020 . 1 . . . B 47 NVA H . 25613 1 419 . 2 2 26 26 NVA HA H 1 4.585 0.020 . 1 . . . B 47 NVA HA . 25613 1 420 . 2 2 26 26 NVA HD2 H 1 4.409 0.020 . 2 . . . B 47 NVA HD2 . 25613 1 421 . 2 2 26 26 NVA HD3 H 1 4.278 0.020 . 2 . . . B 47 NVA HD3 . 25613 1 422 . 2 2 26 26 NVA HG2 H 1 2.192 0.020 . 2 . . . B 47 NVA HG2 . 25613 1 423 . 2 2 26 26 NVA HG3 H 1 1.884 0.020 . 2 . . . B 47 NVA HG3 . 25613 1 424 . 2 2 26 26 NVA HB2 H 1 1.857 0.020 . 1 . . . B 47 NVA QB . 25613 1 425 . 2 2 26 26 NVA HB3 H 1 1.857 0.020 . 1 . . . B 47 NVA QB . 25613 1 426 . 2 2 27 27 THR H H 1 7.918 0.020 . 1 . . . B 48 THR H . 25613 1 427 . 2 2 27 27 THR HA H 1 4.396 0.020 . 1 . . . B 48 THR HA . 25613 1 428 . 2 2 27 27 THR HB H 1 4.451 0.020 . 1 . . . B 48 THR HB . 25613 1 429 . 2 2 27 27 THR HG21 H 1 1.333 0.020 . 1 . . . B 48 THR QG2 . 25613 1 430 . 2 2 27 27 THR HG22 H 1 1.333 0.020 . 1 . . . B 48 THR QG2 . 25613 1 431 . 2 2 27 27 THR HG23 H 1 1.333 0.020 . 1 . . . B 48 THR QG2 . 25613 1 432 . 2 2 27 27 THR CA C 13 60.975 0.200 . 1 . . . B 48 THR CA . 25613 1 433 . 2 2 27 27 THR CB C 13 66.973 0.200 . 1 . . . B 48 THR CB . 25613 1 434 . 2 2 28 28 PRO HA H 1 4.15 0.020 . 1 . . . B 49 PRO HA . 25613 1 435 . 2 2 28 28 PRO HB2 H 1 2.309 0.020 . 2 . . . B 49 PRO HB2 . 25613 1 436 . 2 2 28 28 PRO HB3 H 1 1.86 0.020 . 2 . . . B 49 PRO HB3 . 25613 1 437 . 2 2 28 28 PRO HG2 H 1 2.169 0.020 . 2 . . . B 49 PRO HG2 . 25613 1 438 . 2 2 28 28 PRO HG3 H 1 1.998 0.020 . 2 . . . B 49 PRO HG3 . 25613 1 439 . 2 2 28 28 PRO HD2 H 1 3.804 0.020 . 2 . . . B 49 PRO HD2 . 25613 1 440 . 2 2 28 28 PRO HD3 H 1 3.6 0.020 . 2 . . . B 49 PRO HD3 . 25613 1 441 . 2 2 28 28 PRO CA C 13 64.773 0.200 . 1 . . . B 49 PRO CA . 25613 1 442 . 2 2 28 28 PRO CB C 13 31.425 0.200 . 1 . . . B 49 PRO CB . 25613 1 443 . 2 2 28 28 PRO CG C 13 27.971 0.200 . 1 . . . B 49 PRO CG . 25613 1 444 . 2 2 28 28 PRO CD C 13 49.738 0.200 . 1 . . . B 49 PRO CD . 25613 1 445 . 2 2 29 29 HIX CA C 13 55.924 0.200 . 1 . . . B 50 HIX CA . 25613 1 446 . 2 2 29 29 HIX CB C 13 29.077 0.200 . 1 . . . B 50 HIX CB . 25613 1 447 . 2 2 29 29 HIX H H 1 8.694 0.020 . 1 . . . B 50 HIX H . 25613 1 448 . 2 2 29 29 HIX HA H 1 4.669 0.020 . 1 . . . B 50 HIX HA . 25613 1 449 . 2 2 29 29 HIX HB2 H 1 3.374 0.020 . 2 . . . B 50 HIX HB2 . 25613 1 450 . 2 2 29 29 HIX HB3 H 1 3.172 0.020 . 2 . . . B 50 HIX HB3 . 25613 1 451 . 2 2 29 29 HIX HD2 H 1 8.153 0.020 . 2 . . . B 50 HIX HD2 . 25613 1 452 . 2 2 30 30 THR H H 1 8.078 0.020 . 1 . . . B 51 THR H . 25613 1 453 . 2 2 30 30 THR HA H 1 4.548 0.020 . 1 . . . B 51 THR HA . 25613 1 454 . 2 2 30 30 THR HB H 1 4.462 0.020 . 1 . . . B 51 THR HB . 25613 1 455 . 2 2 30 30 THR HG21 H 1 1.218 0.020 . 1 . . . B 51 THR QG2 . 25613 1 456 . 2 2 30 30 THR HG22 H 1 1.218 0.020 . 1 . . . B 51 THR QG2 . 25613 1 457 . 2 2 30 30 THR HG23 H 1 1.218 0.020 . 1 . . . B 51 THR QG2 . 25613 1 458 . 2 2 30 30 THR CA C 13 60.517 0.200 . 1 . . . B 51 THR CA . 25613 1 459 . 2 2 30 30 THR CB C 13 69.946 0.200 . 1 . . . B 51 THR CB . 25613 1 stop_ save_