################################### # 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 34345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 34345 1 2 '2D 1H-1H NOESY' . . . 34345 1 3 '2D 1H-15N HSQC' . . . 34345 1 4 '2D 1H-13C HSQC' . . . 34345 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 SER HA H 1 4.108 0.000 . 1 . . . . A 1 SER HA . 34345 1 2 . 1 . 1 1 1 SER HB2 H 1 3.955 0.000 . 1 . . . . A 1 SER HB2 . 34345 1 3 . 1 . 1 1 1 SER HB3 H 1 3.955 0.000 . 1 . . . . A 1 SER HB3 . 34345 1 4 . 1 . 1 1 1 SER CA C 13 54.544 0.000 . 1 . . . . A 1 SER CA . 34345 1 5 . 1 . 1 1 1 SER CB C 13 60.371 0.000 . 1 . . . . A 1 SER CB . 34345 1 6 . 1 . 1 2 2 TYR H H 1 8.654 0.000 . 1 . . . . A 2 TYR H . 34345 1 7 . 1 . 1 2 2 TYR HA H 1 4.609 0.000 . 1 . . . . A 2 TYR HA . 34345 1 8 . 1 . 1 2 2 TYR HB2 H 1 2.984 0.000 . 1 . . . . A 2 TYR HB2 . 34345 1 9 . 1 . 1 2 2 TYR HB3 H 1 2.984 0.000 . 1 . . . . A 2 TYR HB3 . 34345 1 10 . 1 . 1 2 2 TYR HD1 H 1 7.109 0.000 . 3 . . . . A 2 TYR HD1 . 34345 1 11 . 1 . 1 2 2 TYR HD2 H 1 7.109 0.000 . 3 . . . . A 2 TYR HD2 . 34345 1 12 . 1 . 1 2 2 TYR HE1 H 1 6.808 0.000 . 3 . . . . A 2 TYR HE1 . 34345 1 13 . 1 . 1 2 2 TYR HE2 H 1 6.808 0.000 . 3 . . . . A 2 TYR HE2 . 34345 1 14 . 1 . 1 2 2 TYR CA C 13 55.467 0.000 . 1 . . . . A 2 TYR CA . 34345 1 15 . 1 . 1 2 2 TYR CB C 13 36.154 0.000 . 1 . . . . A 2 TYR CB . 34345 1 16 . 1 . 1 2 2 TYR N N 15 121.481 0.000 . 1 . . . . A 2 TYR N . 34345 1 17 . 1 . 1 3 3 GLN H H 1 8.260 0.000 . 1 . . . . A 3 GLN H . 34345 1 18 . 1 . 1 3 3 GLN HA H 1 4.267 0.000 . 1 . . . . A 3 GLN HA . 34345 1 19 . 1 . 1 3 3 GLN HB2 H 1 1.876 0.000 . 1 . . . . A 3 GLN HB2 . 34345 1 20 . 1 . 1 3 3 GLN HB3 H 1 1.979 0.000 . 1 . . . . A 3 GLN HB3 . 34345 1 21 . 1 . 1 3 3 GLN HG2 H 1 2.274 0.000 . 1 . . . . A 3 GLN HG2 . 34345 1 22 . 1 . 1 3 3 GLN HG3 H 1 2.274 0.000 . 1 . . . . A 3 GLN HG3 . 34345 1 23 . 1 . 1 3 3 GLN HE21 H 1 6.847 0.000 . 1 . . . . A 3 GLN HE21 . 34345 1 24 . 1 . 1 3 3 GLN HE22 H 1 7.458 0.000 . 1 . . . . A 3 GLN HE22 . 34345 1 25 . 1 . 1 3 3 GLN CA C 13 52.673 0.000 . 1 . . . . A 3 GLN CA . 34345 1 26 . 1 . 1 3 3 GLN CB C 13 27.192 0.000 . 1 . . . . A 3 GLN CB . 34345 1 27 . 1 . 1 3 3 GLN N N 15 123.824 0.000 . 1 . . . . A 3 GLN N . 34345 1 28 . 1 . 1 3 3 GLN NE2 N 15 112.346 0.000 . 1 . . . . A 3 GLN NE2 . 34345 1 29 . 1 . 1 4 4 ARG H H 1 8.324 0.000 . 1 . . . . A 4 ARG H . 34345 1 30 . 1 . 1 4 4 ARG HA H 1 4.249 0.000 . 1 . . . . A 4 ARG HA . 34345 1 31 . 1 . 1 4 4 ARG HB2 H 1 1.746 0.000 . 1 . . . . A 4 ARG HB2 . 34345 1 32 . 1 . 1 4 4 ARG HB3 H 1 1.804 0.000 . 1 . . . . A 4 ARG HB3 . 34345 1 33 . 1 . 1 4 4 ARG HG2 H 1 1.606 0.000 . 1 . . . . A 4 ARG HG2 . 34345 1 34 . 1 . 1 4 4 ARG HG3 H 1 1.639 0.000 . 1 . . . . A 4 ARG HG3 . 34345 1 35 . 1 . 1 4 4 ARG HD2 H 1 4.249 0.000 . 1 . . . . A 4 ARG HD2 . 34345 1 36 . 1 . 1 4 4 ARG HD3 H 1 4.249 0.000 . 1 . . . . A 4 ARG HD3 . 34345 1 37 . 1 . 1 4 4 ARG HE H 1 7.215 0.000 . 1 . . . . A 4 ARG HE . 34345 1 38 . 1 . 1 4 4 ARG CA C 13 53.597 0.000 . 1 . . . . A 4 ARG CA . 34345 1 39 . 1 . 1 4 4 ARG CB C 13 28.105 0.000 . 1 . . . . A 4 ARG CB . 34345 1 40 . 1 . 1 4 4 ARG N N 15 123.453 0.000 . 1 . . . . A 4 ARG N . 34345 1 41 . 1 . 1 5 5 ILE H H 1 8.227 0.000 . 1 . . . . A 5 ILE H . 34345 1 42 . 1 . 1 5 5 ILE HA H 1 4.161 0.000 . 1 . . . . A 5 ILE HA . 34345 1 43 . 1 . 1 5 5 ILE HB H 1 1.850 0.000 . 1 . . . . A 5 ILE HB . 34345 1 44 . 1 . 1 5 5 ILE HG12 H 1 1.472 0.000 . 1 . . . . A 5 ILE HG12 . 34345 1 45 . 1 . 1 5 5 ILE HG13 H 1 1.192 0.000 . 1 . . . . A 5 ILE HG13 . 34345 1 46 . 1 . 1 5 5 ILE HG21 H 1 0.893 0.000 . 1 . . . . A 5 ILE HG21 . 34345 1 47 . 1 . 1 5 5 ILE HG22 H 1 0.893 0.000 . 1 . . . . A 5 ILE HG22 . 34345 1 48 . 1 . 1 5 5 ILE HG23 H 1 0.893 0.000 . 1 . . . . A 5 ILE HG23 . 34345 1 49 . 1 . 1 5 5 ILE HD11 H 1 0.847 0.000 . 1 . . . . A 5 ILE HD11 . 34345 1 50 . 1 . 1 5 5 ILE HD12 H 1 0.847 0.000 . 1 . . . . A 5 ILE HD12 . 34345 1 51 . 1 . 1 5 5 ILE HD13 H 1 0.847 0.000 . 1 . . . . A 5 ILE HD13 . 34345 1 52 . 1 . 1 5 5 ILE CA C 13 58.307 0.000 . 1 . . . . A 5 ILE CA . 34345 1 53 . 1 . 1 5 5 ILE CB C 13 36.056 0.000 . 1 . . . . A 5 ILE CB . 34345 1 54 . 1 . 1 5 5 ILE N N 15 122.801 0.000 . 1 . . . . A 5 ILE N . 34345 1 55 . 1 . 1 6 6 ARG H H 1 8.508 0.000 . 1 . . . . A 6 ARG H . 34345 1 56 . 1 . 1 6 6 ARG HA H 1 4.388 0.000 . 1 . . . . A 6 ARG HA . 34345 1 57 . 1 . 1 6 6 ARG HB2 H 1 1.887 0.000 . 1 . . . . A 6 ARG HB2 . 34345 1 58 . 1 . 1 6 6 ARG HB3 H 1 1.789 0.000 . 1 . . . . A 6 ARG HB3 . 34345 1 59 . 1 . 1 6 6 ARG HG2 H 1 1.625 0.000 . 1 . . . . A 6 ARG HG2 . 34345 1 60 . 1 . 1 6 6 ARG HG3 H 1 1.666 0.000 . 1 . . . . A 6 ARG HG3 . 34345 1 61 . 1 . 1 6 6 ARG HD2 H 1 3.218 0.000 . 1 . . . . A 6 ARG HD2 . 34345 1 62 . 1 . 1 6 6 ARG HD3 H 1 3.216 0.000 . 1 . . . . A 6 ARG HD3 . 34345 1 63 . 1 . 1 6 6 ARG HE H 1 7.351 0.000 . 1 . . . . A 6 ARG HE . 34345 1 64 . 1 . 1 6 6 ARG CA C 13 53.479 0.000 . 1 . . . . A 6 ARG CA . 34345 1 65 . 1 . 1 6 6 ARG CB C 13 28.267 0.000 . 1 . . . . A 6 ARG CB . 34345 1 66 . 1 . 1 6 6 ARG N N 15 125.899 0.000 . 1 . . . . A 6 ARG N . 34345 1 67 . 1 . 1 7 7 SER H H 1 8.429 0.000 . 1 . . . . A 7 SER H . 34345 1 68 . 1 . 1 7 7 SER HA H 1 4.450 0.000 . 1 . . . . A 7 SER HA . 34345 1 69 . 1 . 1 7 7 SER HB2 H 1 3.857 0.000 . 1 . . . . A 7 SER HB2 . 34345 1 70 . 1 . 1 7 7 SER HB3 H 1 3.815 0.000 . 1 . . . . A 7 SER HB3 . 34345 1 71 . 1 . 1 7 7 SER CA C 13 55.565 0.000 . 1 . . . . A 7 SER CA . 34345 1 72 . 1 . 1 7 7 SER CB C 13 61.093 0.000 . 1 . . . . A 7 SER CB . 34345 1 73 . 1 . 1 7 7 SER N N 15 117.738 0.000 . 1 . . . . A 7 SER N . 34345 1 74 . 1 . 1 8 8 ASP H H 1 8.488 0.000 . 1 . . . . A 8 ASP H . 34345 1 75 . 1 . 1 8 8 ASP HA H 1 4.672 0.000 . 1 . . . . A 8 ASP HA . 34345 1 76 . 1 . 1 8 8 ASP HB2 H 1 2.852 0.000 . 1 . . . . A 8 ASP HB2 . 34345 1 77 . 1 . 1 8 8 ASP HB3 H 1 2.691 0.000 . 1 . . . . A 8 ASP HB3 . 34345 1 78 . 1 . 1 8 8 ASP CA C 13 51.245 0.000 . 1 . . . . A 8 ASP CA . 34345 1 79 . 1 . 1 8 8 ASP CB C 13 38.029 0.000 . 1 . . . . A 8 ASP CB . 34345 1 80 . 1 . 1 8 8 ASP N N 15 122.617 0.000 . 1 . . . . A 8 ASP N . 34345 1 81 . 1 . 1 9 9 HIS H H 1 8.500 0.000 . 1 . . . . A 9 HIS H . 34345 1 82 . 1 . 1 9 9 HIS HA H 1 4.376 0.000 . 1 . . . . A 9 HIS HA . 34345 1 83 . 1 . 1 9 9 HIS HB2 H 1 3.255 0.000 . 1 . . . . A 9 HIS HB2 . 34345 1 84 . 1 . 1 9 9 HIS HB3 H 1 3.174 0.000 . 1 . . . . A 9 HIS HB3 . 34345 1 85 . 1 . 1 9 9 HIS HD2 H 1 7.310 0.000 . 1 . . . . A 9 HIS HD2 . 34345 1 86 . 1 . 1 9 9 HIS HE1 H 1 8.544 0.000 . 1 . . . . A 9 HIS HE1 . 34345 1 87 . 1 . 1 9 9 HIS CA C 13 54.912 0.000 . 1 . . . . A 9 HIS CA . 34345 1 88 . 1 . 1 9 9 HIS CB C 13 25.795 0.000 . 1 . . . . A 9 HIS CB . 34345 1 89 . 1 . 1 9 9 HIS N N 15 120.723 0.000 . 1 . . . . A 9 HIS N . 34345 1 90 . 1 . 1 10 10 ASP H H 1 8.123 0.000 . 1 . . . . A 10 ASP H . 34345 1 91 . 1 . 1 10 10 ASP HA H 1 4.428 0.000 . 1 . . . . A 10 ASP HA . 34345 1 92 . 1 . 1 10 10 ASP HB2 H 1 2.421 0.000 . 1 . . . . A 10 ASP HB2 . 34345 1 93 . 1 . 1 10 10 ASP HB3 H 1 1.386 0.000 . 1 . . . . A 10 ASP HB3 . 34345 1 94 . 1 . 1 10 10 ASP CA C 13 52.427 0.000 . 1 . . . . A 10 ASP CA . 34345 1 95 . 1 . 1 10 10 ASP CB C 13 37.916 0.000 . 1 . . . . A 10 ASP CB . 34345 1 96 . 1 . 1 10 10 ASP N N 15 117.697 0.000 . 1 . . . . A 10 ASP N . 34345 1 97 . 1 . 1 11 11 SER H H 1 7.418 0.000 . 1 . . . . A 11 SER H . 34345 1 98 . 1 . 1 11 11 SER HA H 1 4.481 0.000 . 1 . . . . A 11 SER HA . 34345 1 99 . 1 . 1 11 11 SER HB2 H 1 3.960 0.000 . 1 . . . . A 11 SER HB2 . 34345 1 100 . 1 . 1 11 11 SER HB3 H 1 4.396 0.000 . 1 . . . . A 11 SER HB3 . 34345 1 101 . 1 . 1 11 11 SER CA C 13 54.284 0.000 . 1 . . . . A 11 SER CA . 34345 1 102 . 1 . 1 11 11 SER CB C 13 59.937 0.000 . 1 . . . . A 11 SER CB . 34345 1 103 . 1 . 1 11 11 SER N N 15 112.100 0.000 . 1 . . . . A 11 SER N . 34345 1 104 . 1 . 1 12 12 HIS H H 1 6.670 0.000 . 1 . . . . A 12 HIS H . 34345 1 105 . 1 . 1 12 12 HIS HA H 1 4.217 0.000 . 1 . . . . A 12 HIS HA . 34345 1 106 . 1 . 1 12 12 HIS HB2 H 1 3.035 0.000 . 1 . . . . A 12 HIS HB2 . 34345 1 107 . 1 . 1 12 12 HIS HB3 H 1 3.363 0.000 . 1 . . . . A 12 HIS HB3 . 34345 1 108 . 1 . 1 12 12 HIS HD2 H 1 7.356 0.000 . 1 . . . . A 12 HIS HD2 . 34345 1 109 . 1 . 1 12 12 HIS HE1 H 1 8.220 0.000 . 1 . . . . A 12 HIS HE1 . 34345 1 110 . 1 . 1 12 12 HIS CA C 13 52.456 0.000 . 1 . . . . A 12 HIS CA . 34345 1 111 . 1 . 1 12 12 HIS CB C 13 26.458 0.000 . 1 . . . . A 12 HIS CB . 34345 1 112 . 1 . 1 12 12 HIS N N 15 120.200 0.000 . 1 . . . . A 12 HIS N . 34345 1 113 . 1 . 1 13 13 SER H H 1 8.445 0.000 . 1 . . . . A 13 SER H . 34345 1 114 . 1 . 1 13 13 SER HA H 1 4.220 0.000 . 1 . . . . A 13 SER HA . 34345 1 115 . 1 . 1 13 13 SER HB2 H 1 4.014 0.000 . 1 . . . . A 13 SER HB2 . 34345 1 116 . 1 . 1 13 13 SER HB3 H 1 4.063 0.000 . 1 . . . . A 13 SER HB3 . 34345 1 117 . 1 . 1 13 13 SER CA C 13 55.616 0.000 . 1 . . . . A 13 SER CA . 34345 1 118 . 1 . 1 13 13 SER CB C 13 62.664 0.000 . 1 . . . . A 13 SER CB . 34345 1 119 . 1 . 1 13 13 SER N N 15 114.910 0.000 . 1 . . . . A 13 SER N . 34345 1 120 . 1 . 1 14 14 CYS H H 1 7.851 0.000 . 1 . . . . A 14 CYS H . 34345 1 121 . 1 . 1 14 14 CYS HA H 1 4.830 0.000 . 1 . . . . A 14 CYS HA . 34345 1 122 . 1 . 1 14 14 CYS HB2 H 1 2.752 0.000 . 1 . . . . A 14 CYS HB2 . 34345 1 123 . 1 . 1 14 14 CYS HB3 H 1 3.584 0.000 . 1 . . . . A 14 CYS HB3 . 34345 1 124 . 1 . 1 14 14 CYS CA C 13 52.771 0.000 . 1 . . . . A 14 CYS CA . 34345 1 125 . 1 . 1 14 14 CYS CB C 13 48.457 0.000 . 1 . . . . A 14 CYS CB . 34345 1 126 . 1 . 1 14 14 CYS N N 15 113.999 0.000 . 1 . . . . A 14 CYS N . 34345 1 127 . 1 . 1 15 15 ALA H H 1 9.244 0.000 . 1 . . . . A 15 ALA H . 34345 1 128 . 1 . 1 15 15 ALA HA H 1 3.837 0.000 . 1 . . . . A 15 ALA HA . 34345 1 129 . 1 . 1 15 15 ALA HB1 H 1 1.289 0.000 . 1 . . . . A 15 ALA HB1 . 34345 1 130 . 1 . 1 15 15 ALA HB2 H 1 1.289 0.000 . 1 . . . . A 15 ALA HB2 . 34345 1 131 . 1 . 1 15 15 ALA HB3 H 1 1.289 0.000 . 1 . . . . A 15 ALA HB3 . 34345 1 132 . 1 . 1 15 15 ALA CA C 13 49.635 0.000 . 1 . . . . A 15 ALA CA . 34345 1 133 . 1 . 1 15 15 ALA CB C 13 14.419 0.000 . 1 . . . . A 15 ALA CB . 34345 1 134 . 1 . 1 15 15 ALA N N 15 120.342 0.000 . 1 . . . . A 15 ALA N . 34345 1 135 . 1 . 1 16 16 ASN H H 1 8.729 0.000 . 1 . . . . A 16 ASN H . 34345 1 136 . 1 . 1 16 16 ASN HA H 1 4.220 0.000 . 1 . . . . A 16 ASN HA . 34345 1 137 . 1 . 1 16 16 ASN HB2 H 1 3.031 0.000 . 1 . . . . A 16 ASN HB2 . 34345 1 138 . 1 . 1 16 16 ASN HB3 H 1 2.641 0.000 . 1 . . . . A 16 ASN HB3 . 34345 1 139 . 1 . 1 16 16 ASN HD21 H 1 7.494 0.000 . 1 . . . . A 16 ASN HD21 . 34345 1 140 . 1 . 1 16 16 ASN HD22 H 1 6.899 0.000 . 1 . . . . A 16 ASN HD22 . 34345 1 141 . 1 . 1 16 16 ASN CA C 13 50.793 0.000 . 1 . . . . A 16 ASN CA . 34345 1 142 . 1 . 1 16 16 ASN CB C 13 34.063 0.000 . 1 . . . . A 16 ASN CB . 34345 1 143 . 1 . 1 16 16 ASN N N 15 118.397 0.000 . 1 . . . . A 16 ASN N . 34345 1 144 . 1 . 1 16 16 ASN ND2 N 15 112.062 0.000 . 1 . . . . A 16 ASN ND2 . 34345 1 145 . 1 . 1 17 17 ASN H H 1 8.368 0.000 . 1 . . . . A 17 ASN H . 34345 1 146 . 1 . 1 17 17 ASN HA H 1 4.221 0.000 . 1 . . . . A 17 ASN HA . 34345 1 147 . 1 . 1 17 17 ASN HB2 H 1 3.202 0.000 . 1 . . . . A 17 ASN HB2 . 34345 1 148 . 1 . 1 17 17 ASN HB3 H 1 3.002 0.000 . 1 . . . . A 17 ASN HB3 . 34345 1 149 . 1 . 1 17 17 ASN HD21 H 1 7.580 0.000 . 1 . . . . A 17 ASN HD21 . 34345 1 150 . 1 . 1 17 17 ASN HD22 H 1 6.925 0.000 . 1 . . . . A 17 ASN HD22 . 34345 1 151 . 1 . 1 17 17 ASN CA C 13 51.644 0.000 . 1 . . . . A 17 ASN CA . 34345 1 152 . 1 . 1 17 17 ASN CB C 13 34.868 0.000 . 1 . . . . A 17 ASN CB . 34345 1 153 . 1 . 1 17 17 ASN N N 15 110.358 0.000 . 1 . . . . A 17 ASN N . 34345 1 154 . 1 . 1 17 17 ASN ND2 N 15 113.439 0.000 . 1 . . . . A 17 ASN ND2 . 34345 1 155 . 1 . 1 18 18 ARG H H 1 7.731 0.000 . 1 . . . . A 18 ARG H . 34345 1 156 . 1 . 1 18 18 ARG HA H 1 4.627 0.000 . 1 . . . . A 18 ARG HA . 34345 1 157 . 1 . 1 18 18 ARG HB2 H 1 1.948 0.000 . 1 . . . . A 18 ARG HB2 . 34345 1 158 . 1 . 1 18 18 ARG HB3 H 1 2.116 0.000 . 1 . . . . A 18 ARG HB3 . 34345 1 159 . 1 . 1 18 18 ARG HG2 H 1 1.861 0.000 . 1 . . . . A 18 ARG HG2 . 34345 1 160 . 1 . 1 18 18 ARG HG3 H 1 1.774 0.000 . 1 . . . . A 18 ARG HG3 . 34345 1 161 . 1 . 1 18 18 ARG HD2 H 1 3.199 0.000 . 1 . . . . A 18 ARG HD2 . 34345 1 162 . 1 . 1 18 18 ARG HD3 H 1 3.328 0.000 . 1 . . . . A 18 ARG HD3 . 34345 1 163 . 1 . 1 18 18 ARG HE H 1 7.136 0.000 . 1 . . . . A 18 ARG HE . 34345 1 164 . 1 . 1 18 18 ARG CA C 13 53.621 0.000 . 1 . . . . A 18 ARG CA . 34345 1 165 . 1 . 1 18 18 ARG CB C 13 28.416 0.000 . 1 . . . . A 18 ARG CB . 34345 1 166 . 1 . 1 18 18 ARG N N 15 116.061 0.000 . 1 . . . . A 18 ARG N . 34345 1 167 . 1 . 1 19 19 GLY H H 1 8.211 0.000 . 1 . . . . A 19 GLY H . 34345 1 168 . 1 . 1 19 19 GLY HA2 H 1 3.409 0.000 . 1 . . . . A 19 GLY HA2 . 34345 1 169 . 1 . 1 19 19 GLY HA3 H 1 4.809 0.000 . 1 . . . . A 19 GLY HA3 . 34345 1 170 . 1 . 1 19 19 GLY CA C 13 42.029 0.000 . 1 . . . . A 19 GLY CA . 34345 1 171 . 1 . 1 19 19 GLY N N 15 106.126 0.000 . 1 . . . . A 19 GLY N . 34345 1 172 . 1 . 1 20 20 TRP H H 1 9.033 0.000 . 1 . . . . A 20 TRP H . 34345 1 173 . 1 . 1 20 20 TRP HA H 1 4.562 0.000 . 1 . . . . A 20 TRP HA . 34345 1 174 . 1 . 1 20 20 TRP HB2 H 1 2.759 0.000 . 1 . . . . A 20 TRP HB2 . 34345 1 175 . 1 . 1 20 20 TRP HB3 H 1 2.940 0.000 . 1 . . . . A 20 TRP HB3 . 34345 1 176 . 1 . 1 20 20 TRP HD1 H 1 6.934 0.000 . 1 . . . . A 20 TRP HD1 . 34345 1 177 . 1 . 1 20 20 TRP HE1 H 1 9.593 0.000 . 1 . . . . A 20 TRP HE1 . 34345 1 178 . 1 . 1 20 20 TRP HE3 H 1 7.386 0.000 . 1 . . . . A 20 TRP HE3 . 34345 1 179 . 1 . 1 20 20 TRP HZ2 H 1 7.590 0.000 . 1 . . . . A 20 TRP HZ2 . 34345 1 180 . 1 . 1 20 20 TRP HZ3 H 1 7.290 0.000 . 1 . . . . A 20 TRP HZ3 . 34345 1 181 . 1 . 1 20 20 TRP HH2 H 1 7.205 0.000 . 1 . . . . A 20 TRP HH2 . 34345 1 182 . 1 . 1 20 20 TRP CA C 13 54.295 0.000 . 1 . . . . A 20 TRP CA . 34345 1 183 . 1 . 1 20 20 TRP CB C 13 30.557 0.000 . 1 . . . . A 20 TRP CB . 34345 1 184 . 1 . 1 20 20 TRP N N 15 123.338 0.000 . 1 . . . . A 20 TRP N . 34345 1 185 . 1 . 1 20 20 TRP NE1 N 15 127.637 0.000 . 1 . . . . A 20 TRP NE1 . 34345 1 186 . 1 . 1 21 21 CYS H H 1 7.959 0.000 . 1 . . . . A 21 CYS H . 34345 1 187 . 1 . 1 21 21 CYS HA H 1 5.618 0.000 . 1 . . . . A 21 CYS HA . 34345 1 188 . 1 . 1 21 21 CYS HB2 H 1 3.058 0.000 . 1 . . . . A 21 CYS HB2 . 34345 1 189 . 1 . 1 21 21 CYS HB3 H 1 2.806 0.000 . 1 . . . . A 21 CYS HB3 . 34345 1 190 . 1 . 1 21 21 CYS CA C 13 50.404 0.000 . 1 . . . . A 21 CYS CA . 34345 1 191 . 1 . 1 21 21 CYS CB C 13 34.543 0.000 . 1 . . . . A 21 CYS CB . 34345 1 192 . 1 . 1 21 21 CYS N N 15 126.277 0.000 . 1 . . . . A 21 CYS N . 34345 1 193 . 1 . 1 22 22 ARG H H 1 9.377 0.000 . 1 . . . . A 22 ARG H . 34345 1 194 . 1 . 1 22 22 ARG HA H 1 4.611 0.000 . 1 . . . . A 22 ARG HA . 34345 1 195 . 1 . 1 22 22 ARG HB2 H 1 1.396 0.000 . 1 . . . . A 22 ARG HB2 . 34345 1 196 . 1 . 1 22 22 ARG HB3 H 1 1.221 0.000 . 1 . . . . A 22 ARG HB3 . 34345 1 197 . 1 . 1 22 22 ARG HG2 H 1 1.725 0.000 . 1 . . . . A 22 ARG HG2 . 34345 1 198 . 1 . 1 22 22 ARG HG3 H 1 1.725 0.000 . 1 . . . . A 22 ARG HG3 . 34345 1 199 . 1 . 1 22 22 ARG HD2 H 1 2.426 0.000 . 1 . . . . A 22 ARG HD2 . 34345 1 200 . 1 . 1 22 22 ARG HD3 H 1 2.426 0.000 . 1 . . . . A 22 ARG HD3 . 34345 1 201 . 1 . 1 22 22 ARG HE H 1 8.732 0.000 . 1 . . . . A 22 ARG HE . 34345 1 202 . 1 . 1 22 22 ARG CA C 13 50.461 0.000 . 1 . . . . A 22 ARG CA . 34345 1 203 . 1 . 1 22 22 ARG CB C 13 30.625 0.000 . 1 . . . . A 22 ARG CB . 34345 1 204 . 1 . 1 22 22 ARG N N 15 122.374 0.000 . 1 . . . . A 22 ARG N . 34345 1 205 . 1 . 1 23 23 PRO HA H 1 3.801 0.000 . 1 . . . . A 23 PRO HA . 34345 1 206 . 1 . 1 23 23 PRO HB2 H 1 1.854 0.000 . 1 . . . . A 23 PRO HB2 . 34345 1 207 . 1 . 1 23 23 PRO HB3 H 1 2.068 0.000 . 1 . . . . A 23 PRO HB3 . 34345 1 208 . 1 . 1 23 23 PRO HG2 H 1 1.963 0.000 . 1 . . . . A 23 PRO HG2 . 34345 1 209 . 1 . 1 23 23 PRO HG3 H 1 1.599 0.000 . 1 . . . . A 23 PRO HG3 . 34345 1 210 . 1 . 1 23 23 PRO HD2 H 1 2.447 0.000 . 1 . . . . A 23 PRO HD2 . 34345 1 211 . 1 . 1 23 23 PRO HD3 H 1 3.429 0.000 . 1 . . . . A 23 PRO HD3 . 34345 1 212 . 1 . 1 23 23 PRO CA C 13 62.187 0.000 . 1 . . . . A 23 PRO CA . 34345 1 213 . 1 . 1 23 23 PRO CB C 13 28.223 0.000 . 1 . . . . A 23 PRO CB . 34345 1 214 . 1 . 1 24 24 THR H H 1 6.392 0.000 . 1 . . . . A 24 THR H . 34345 1 215 . 1 . 1 24 24 THR HA H 1 4.031 0.000 . 1 . . . . A 24 THR HA . 34345 1 216 . 1 . 1 24 24 THR HB H 1 3.795 0.000 . 1 . . . . A 24 THR HB . 34345 1 217 . 1 . 1 24 24 THR HG21 H 1 1.156 0.000 . 1 . . . . A 24 THR HG21 . 34345 1 218 . 1 . 1 24 24 THR HG22 H 1 1.156 0.000 . 1 . . . . A 24 THR HG22 . 34345 1 219 . 1 . 1 24 24 THR HG23 H 1 1.156 0.000 . 1 . . . . A 24 THR HG23 . 34345 1 220 . 1 . 1 24 24 THR CA C 13 57.951 0.000 . 1 . . . . A 24 THR CA . 34345 1 221 . 1 . 1 24 24 THR CB C 13 68.860 0.000 . 1 . . . . A 24 THR CB . 34345 1 222 . 1 . 1 24 24 THR N N 15 107.108 0.000 . 1 . . . . A 24 THR N . 34345 1 223 . 1 . 1 25 25 CYS H H 1 8.635 0.000 . 1 . . . . A 25 CYS H . 34345 1 224 . 1 . 1 25 25 CYS HA H 1 4.653 0.000 . 1 . . . . A 25 CYS HA . 34345 1 225 . 1 . 1 25 25 CYS HB2 H 1 2.481 0.000 . 1 . . . . A 25 CYS HB2 . 34345 1 226 . 1 . 1 25 25 CYS HB3 H 1 3.173 0.000 . 1 . . . . A 25 CYS HB3 . 34345 1 227 . 1 . 1 25 25 CYS CA C 13 49.983 0.000 . 1 . . . . A 25 CYS CA . 34345 1 228 . 1 . 1 25 25 CYS CB C 13 31.504 0.000 . 1 . . . . A 25 CYS CB . 34345 1 229 . 1 . 1 25 25 CYS N N 15 122.103 0.000 . 1 . . . . A 25 CYS N . 34345 1 230 . 1 . 1 26 26 PHE H H 1 8.679 0.000 . 1 . . . . A 26 PHE H . 34345 1 231 . 1 . 1 26 26 PHE HA H 1 4.899 0.000 . 1 . . . . A 26 PHE HA . 34345 1 232 . 1 . 1 26 26 PHE HB2 H 1 2.533 0.000 . 1 . . . . A 26 PHE HB2 . 34345 1 233 . 1 . 1 26 26 PHE HB3 H 1 3.476 0.000 . 1 . . . . A 26 PHE HB3 . 34345 1 234 . 1 . 1 26 26 PHE HD1 H 1 7.094 0.000 . 1 . . . . A 26 PHE HD1 . 34345 1 235 . 1 . 1 26 26 PHE HD2 H 1 7.094 0.000 . 1 . . . . A 26 PHE HD2 . 34345 1 236 . 1 . 1 26 26 PHE HE1 H 1 7.247 0.000 . 1 . . . . A 26 PHE HE1 . 34345 1 237 . 1 . 1 26 26 PHE HE2 H 1 7.247 0.000 . 1 . . . . A 26 PHE HE2 . 34345 1 238 . 1 . 1 26 26 PHE HZ H 1 7.187 0.000 . 1 . . . . A 26 PHE HZ . 34345 1 239 . 1 . 1 26 26 PHE CA C 13 52.046 0.000 . 1 . . . . A 26 PHE CA . 34345 1 240 . 1 . 1 26 26 PHE CB C 13 35.858 0.000 . 1 . . . . A 26 PHE CB . 34345 1 241 . 1 . 1 26 26 PHE N N 15 121.243 0.000 . 1 . . . . A 26 PHE N . 34345 1 242 . 1 . 1 27 27 SER H H 1 8.692 0.000 . 1 . . . . A 27 SER H . 34345 1 243 . 1 . 1 27 27 SER HA H 1 4.188 0.000 . 1 . . . . A 27 SER HA . 34345 1 244 . 1 . 1 27 27 SER HB2 H 1 3.817 0.000 . 1 . . . . A 27 SER HB2 . 34345 1 245 . 1 . 1 27 27 SER HB3 H 1 3.817 0.000 . 1 . . . . A 27 SER HB3 . 34345 1 246 . 1 . 1 27 27 SER CA C 13 58.493 0.000 . 1 . . . . A 27 SER CA . 34345 1 247 . 1 . 1 27 27 SER CB C 13 60.301 0.000 . 1 . . . . A 27 SER CB . 34345 1 248 . 1 . 1 27 27 SER N N 15 114.647 0.000 . 1 . . . . A 27 SER N . 34345 1 249 . 1 . 1 28 28 HIS H H 1 8.319 0.000 . 1 . . . . A 28 HIS H . 34345 1 250 . 1 . 1 28 28 HIS HA H 1 4.821 0.000 . 1 . . . . A 28 HIS HA . 34345 1 251 . 1 . 1 28 28 HIS HB2 H 1 3.446 0.000 . 1 . . . . A 28 HIS HB2 . 34345 1 252 . 1 . 1 28 28 HIS HB3 H 1 3.446 0.000 . 1 . . . . A 28 HIS HB3 . 34345 1 253 . 1 . 1 28 28 HIS HD2 H 1 7.246 0.000 . 1 . . . . A 28 HIS HD2 . 34345 1 254 . 1 . 1 28 28 HIS HE1 H 1 8.425 0.000 . 1 . . . . A 28 HIS HE1 . 34345 1 255 . 1 . 1 28 28 HIS CA C 13 52.771 0.000 . 1 . . . . A 28 HIS CA . 34345 1 256 . 1 . 1 28 28 HIS CB C 13 24.762 0.000 . 1 . . . . A 28 HIS CB . 34345 1 257 . 1 . 1 28 28 HIS N N 15 123.499 0.000 . 1 . . . . A 28 HIS N . 34345 1 258 . 1 . 1 29 29 GLU H H 1 7.662 0.000 . 1 . . . . A 29 GLU H . 34345 1 259 . 1 . 1 29 29 GLU HA H 1 5.204 0.000 . 1 . . . . A 29 GLU HA . 34345 1 260 . 1 . 1 29 29 GLU HB2 H 1 2.232 0.000 . 1 . . . . A 29 GLU HB2 . 34345 1 261 . 1 . 1 29 29 GLU HB3 H 1 1.586 0.000 . 1 . . . . A 29 GLU HB3 . 34345 1 262 . 1 . 1 29 29 GLU HG2 H 1 2.045 0.000 . 1 . . . . A 29 GLU HG2 . 34345 1 263 . 1 . 1 29 29 GLU HG3 H 1 1.826 0.000 . 1 . . . . A 29 GLU HG3 . 34345 1 264 . 1 . 1 29 29 GLU CA C 13 51.915 0.000 . 1 . . . . A 29 GLU CA . 34345 1 265 . 1 . 1 29 29 GLU CB C 13 31.384 0.000 . 1 . . . . A 29 GLU CB . 34345 1 266 . 1 . 1 29 29 GLU N N 15 118.872 0.000 . 1 . . . . A 29 GLU N . 34345 1 267 . 1 . 1 30 30 TYR H H 1 9.162 0.000 . 1 . . . . A 30 TYR H . 34345 1 268 . 1 . 1 30 30 TYR HA H 1 5.031 0.000 . 1 . . . . A 30 TYR HA . 34345 1 269 . 1 . 1 30 30 TYR HB2 H 1 3.098 0.000 . 1 . . . . A 30 TYR HB2 . 34345 1 270 . 1 . 1 30 30 TYR HB3 H 1 2.861 0.000 . 1 . . . . A 30 TYR HB3 . 34345 1 271 . 1 . 1 30 30 TYR HD1 H 1 6.826 0.000 . 1 . . . . A 30 TYR HD1 . 34345 1 272 . 1 . 1 30 30 TYR HD2 H 1 6.826 0.000 . 1 . . . . A 30 TYR HD2 . 34345 1 273 . 1 . 1 30 30 TYR HE1 H 1 6.585 0.000 . 1 . . . . A 30 TYR HE1 . 34345 1 274 . 1 . 1 30 30 TYR HE2 H 1 6.585 0.000 . 1 . . . . A 30 TYR HE2 . 34345 1 275 . 1 . 1 30 30 TYR CA C 13 52.383 0.000 . 1 . . . . A 30 TYR CA . 34345 1 276 . 1 . 1 30 30 TYR CB C 13 38.696 0.000 . 1 . . . . A 30 TYR CB . 34345 1 277 . 1 . 1 30 30 TYR N N 15 117.806 0.000 . 1 . . . . A 30 TYR N . 34345 1 278 . 1 . 1 31 31 THR H H 1 8.424 0.000 . 1 . . . . A 31 THR H . 34345 1 279 . 1 . 1 31 31 THR HA H 1 4.202 0.000 . 1 . . . . A 31 THR HA . 34345 1 280 . 1 . 1 31 31 THR HB H 1 3.530 0.000 . 1 . . . . A 31 THR HB . 34345 1 281 . 1 . 1 31 31 THR HG21 H 1 -0.173 0.000 . 1 . . . . A 31 THR HG21 . 34345 1 282 . 1 . 1 31 31 THR HG22 H 1 -0.173 0.000 . 1 . . . . A 31 THR HG22 . 34345 1 283 . 1 . 1 31 31 THR HG23 H 1 -0.173 0.000 . 1 . . . . A 31 THR HG23 . 34345 1 284 . 1 . 1 31 31 THR CA C 13 60.005 0.000 . 1 . . . . A 31 THR CA . 34345 1 285 . 1 . 1 31 31 THR CB C 13 66.478 0.000 . 1 . . . . A 31 THR CB . 34345 1 286 . 1 . 1 31 31 THR N N 15 116.766 0.000 . 1 . . . . A 31 THR N . 34345 1 287 . 1 . 1 32 32 ASP H H 1 9.028 0.000 . 1 . . . . A 32 ASP H . 34345 1 288 . 1 . 1 32 32 ASP HA H 1 4.798 0.000 . 1 . . . . A 32 ASP HA . 34345 1 289 . 1 . 1 32 32 ASP HB2 H 1 2.486 0.000 . 1 . . . . A 32 ASP HB2 . 34345 1 290 . 1 . 1 32 32 ASP HB3 H 1 2.014 0.000 . 1 . . . . A 32 ASP HB3 . 34345 1 291 . 1 . 1 32 32 ASP CA C 13 48.864 0.000 . 1 . . . . A 32 ASP CA . 34345 1 292 . 1 . 1 32 32 ASP CB C 13 37.637 0.000 . 1 . . . . A 32 ASP CB . 34345 1 293 . 1 . 1 32 32 ASP N N 15 128.850 0.000 . 1 . . . . A 32 ASP N . 34345 1 294 . 1 . 1 33 33 TRP H H 1 7.471 0.000 . 1 . . . . A 33 TRP H . 34345 1 295 . 1 . 1 33 33 TRP HA H 1 4.129 0.000 . 1 . . . . A 33 TRP HA . 34345 1 296 . 1 . 1 33 33 TRP HB2 H 1 2.905 0.000 . 1 . . . . A 33 TRP HB2 . 34345 1 297 . 1 . 1 33 33 TRP HB3 H 1 3.349 0.000 . 1 . . . . A 33 TRP HB3 . 34345 1 298 . 1 . 1 33 33 TRP HD1 H 1 7.398 0.000 . 1 . . . . A 33 TRP HD1 . 34345 1 299 . 1 . 1 33 33 TRP HE1 H 1 10.217 0.000 . 1 . . . . A 33 TRP HE1 . 34345 1 300 . 1 . 1 33 33 TRP HE3 H 1 7.557 0.000 . 1 . . . . A 33 TRP HE3 . 34345 1 301 . 1 . 1 33 33 TRP HZ2 H 1 7.539 0.000 . 1 . . . . A 33 TRP HZ2 . 34345 1 302 . 1 . 1 33 33 TRP HZ3 H 1 7.121 0.000 . 1 . . . . A 33 TRP HZ3 . 34345 1 303 . 1 . 1 33 33 TRP HH2 H 1 7.216 0.000 . 1 . . . . A 33 TRP HH2 . 34345 1 304 . 1 . 1 33 33 TRP CA C 13 56.678 0.000 . 1 . . . . A 33 TRP CA . 34345 1 305 . 1 . 1 33 33 TRP CB C 13 26.563 0.000 . 1 . . . . A 33 TRP CB . 34345 1 306 . 1 . 1 33 33 TRP N N 15 123.076 0.000 . 1 . . . . A 33 TRP N . 34345 1 307 . 1 . 1 34 34 PHE H H 1 8.211 0.000 . 1 . . . . A 34 PHE H . 34345 1 308 . 1 . 1 34 34 PHE HA H 1 4.444 0.000 . 1 . . . . A 34 PHE HA . 34345 1 309 . 1 . 1 34 34 PHE HB2 H 1 3.163 0.000 . 1 . . . . A 34 PHE HB2 . 34345 1 310 . 1 . 1 34 34 PHE HB3 H 1 3.162 0.000 . 1 . . . . A 34 PHE HB3 . 34345 1 311 . 1 . 1 34 34 PHE HD1 H 1 7.355 0.000 . 1 . . . . A 34 PHE HD1 . 34345 1 312 . 1 . 1 34 34 PHE HD2 H 1 7.355 0.000 . 1 . . . . A 34 PHE HD2 . 34345 1 313 . 1 . 1 34 34 PHE HE1 H 1 7.429 0.000 . 1 . . . . A 34 PHE HE1 . 34345 1 314 . 1 . 1 34 34 PHE HE2 H 1 7.429 0.000 . 1 . . . . A 34 PHE HE2 . 34345 1 315 . 1 . 1 34 34 PHE HZ H 1 7.435 0.000 . 1 . . . . A 34 PHE HZ . 34345 1 316 . 1 . 1 34 34 PHE CA C 13 57.215 0.000 . 1 . . . . A 34 PHE CA . 34345 1 317 . 1 . 1 34 34 PHE CB C 13 36.343 0.000 . 1 . . . . A 34 PHE CB . 34345 1 318 . 1 . 1 34 34 PHE N N 15 117.814 0.000 . 1 . . . . A 34 PHE N . 34345 1 319 . 1 . 1 35 35 ASN H H 1 7.626 0.000 . 1 . . . . A 35 ASN H . 34345 1 320 . 1 . 1 35 35 ASN HA H 1 5.094 0.000 . 1 . . . . A 35 ASN HA . 34345 1 321 . 1 . 1 35 35 ASN HB2 H 1 3.190 0.000 . 1 . . . . A 35 ASN HB2 . 34345 1 322 . 1 . 1 35 35 ASN HB3 H 1 2.272 0.000 . 1 . . . . A 35 ASN HB3 . 34345 1 323 . 1 . 1 35 35 ASN HD21 H 1 9.198 0.000 . 1 . . . . A 35 ASN HD21 . 34345 1 324 . 1 . 1 35 35 ASN HD22 H 1 7.088 0.000 . 1 . . . . A 35 ASN HD22 . 34345 1 325 . 1 . 1 35 35 ASN CA C 13 50.662 0.000 . 1 . . . . A 35 ASN CA . 34345 1 326 . 1 . 1 35 35 ASN CB C 13 38.375 0.000 . 1 . . . . A 35 ASN CB . 34345 1 327 . 1 . 1 35 35 ASN N N 15 115.909 0.000 . 1 . . . . A 35 ASN N . 34345 1 328 . 1 . 1 35 35 ASN ND2 N 15 119.145 0.000 . 1 . . . . A 35 ASN ND2 . 34345 1 329 . 1 . 1 36 36 ASN H H 1 7.468 0.000 . 1 . . . . A 36 ASN H . 34345 1 330 . 1 . 1 36 36 ASN HA H 1 4.291 0.000 . 1 . . . . A 36 ASN HA . 34345 1 331 . 1 . 1 36 36 ASN HB2 H 1 2.936 0.000 . 1 . . . . A 36 ASN HB2 . 34345 1 332 . 1 . 1 36 36 ASN HB3 H 1 2.902 0.000 . 1 . . . . A 36 ASN HB3 . 34345 1 333 . 1 . 1 36 36 ASN HD21 H 1 7.817 0.000 . 1 . . . . A 36 ASN HD21 . 34345 1 334 . 1 . 1 36 36 ASN HD22 H 1 5.616 0.000 . 1 . . . . A 36 ASN HD22 . 34345 1 335 . 1 . 1 36 36 ASN CA C 13 52.939 0.000 . 1 . . . . A 36 ASN CA . 34345 1 336 . 1 . 1 36 36 ASN CB C 13 36.486 0.000 . 1 . . . . A 36 ASN CB . 34345 1 337 . 1 . 1 36 36 ASN N N 15 116.908 0.000 . 1 . . . . A 36 ASN N . 34345 1 338 . 1 . 1 36 36 ASN ND2 N 15 109.812 0.000 . 1 . . . . A 36 ASN ND2 . 34345 1 339 . 1 . 1 37 37 ASP H H 1 8.551 0.000 . 1 . . . . A 37 ASP H . 34345 1 340 . 1 . 1 37 37 ASP HA H 1 4.359 0.000 . 1 . . . . A 37 ASP HA . 34345 1 341 . 1 . 1 37 37 ASP HB2 H 1 2.736 0.000 . 1 . . . . A 37 ASP HB2 . 34345 1 342 . 1 . 1 37 37 ASP HB3 H 1 2.799 0.000 . 1 . . . . A 37 ASP HB3 . 34345 1 343 . 1 . 1 37 37 ASP CA C 13 54.263 0.000 . 1 . . . . A 37 ASP CA . 34345 1 344 . 1 . 1 37 37 ASP CB C 13 36.424 0.000 . 1 . . . . A 37 ASP CB . 34345 1 345 . 1 . 1 37 37 ASP N N 15 119.287 0.000 . 1 . . . . A 37 ASP N . 34345 1 346 . 1 . 1 38 38 VAL H H 1 7.322 0.000 . 1 . . . . A 38 VAL H . 34345 1 347 . 1 . 1 38 38 VAL HA H 1 4.343 0.000 . 1 . . . . A 38 VAL HA . 34345 1 348 . 1 . 1 38 38 VAL HB H 1 2.425 0.000 . 1 . . . . A 38 VAL HB . 34345 1 349 . 1 . 1 38 38 VAL HG11 H 1 1.065 0.000 . 1 . . . . A 38 VAL HG11 . 34345 1 350 . 1 . 1 38 38 VAL HG12 H 1 1.065 0.000 . 1 . . . . A 38 VAL HG12 . 34345 1 351 . 1 . 1 38 38 VAL HG13 H 1 1.065 0.000 . 1 . . . . A 38 VAL HG13 . 34345 1 352 . 1 . 1 38 38 VAL HG21 H 1 1.022 0.000 . 1 . . . . A 38 VAL HG21 . 34345 1 353 . 1 . 1 38 38 VAL HG22 H 1 1.022 0.000 . 1 . . . . A 38 VAL HG22 . 34345 1 354 . 1 . 1 38 38 VAL HG23 H 1 1.022 0.000 . 1 . . . . A 38 VAL HG23 . 34345 1 355 . 1 . 1 38 38 VAL CA C 13 59.653 0.000 . 1 . . . . A 38 VAL CA . 34345 1 356 . 1 . 1 38 38 VAL CB C 13 29.078 0.000 . 1 . . . . A 38 VAL CB . 34345 1 357 . 1 . 1 38 38 VAL N N 15 112.461 0.000 . 1 . . . . A 38 VAL N . 34345 1 358 . 1 . 1 39 39 CYS H H 1 7.871 0.000 . 1 . . . . A 39 CYS H . 34345 1 359 . 1 . 1 39 39 CYS HA H 1 4.738 0.000 . 1 . . . . A 39 CYS HA . 34345 1 360 . 1 . 1 39 39 CYS HB2 H 1 2.831 0.000 . 1 . . . . A 39 CYS HB2 . 34345 1 361 . 1 . 1 39 39 CYS HB3 H 1 2.597 0.000 . 1 . . . . A 39 CYS HB3 . 34345 1 362 . 1 . 1 39 39 CYS CA C 13 49.378 0.000 . 1 . . . . A 39 CYS CA . 34345 1 363 . 1 . 1 39 39 CYS CB C 13 34.004 0.000 . 1 . . . . A 39 CYS CB . 34345 1 364 . 1 . 1 39 39 CYS N N 15 117.000 0.000 . 1 . . . . A 39 CYS N . 34345 1 365 . 1 . 1 40 40 GLY H H 1 7.910 0.000 . 1 . . . . A 40 GLY H . 34345 1 366 . 1 . 1 40 40 GLY HA2 H 1 3.953 0.000 . 1 . . . . A 40 GLY HA2 . 34345 1 367 . 1 . 1 40 40 GLY HA3 H 1 3.627 0.000 . 1 . . . . A 40 GLY HA3 . 34345 1 368 . 1 . 1 40 40 GLY CA C 13 45.127 0.000 . 1 . . . . A 40 GLY CA . 34345 1 369 . 1 . 1 40 40 GLY N N 15 110.687 0.000 . 1 . . . . A 40 GLY N . 34345 1 370 . 1 . 1 41 41 SER H H 1 8.714 0.000 . 1 . . . . A 41 SER H . 34345 1 371 . 1 . 1 41 41 SER HA H 1 4.481 0.000 . 1 . . . . A 41 SER HA . 34345 1 372 . 1 . 1 41 41 SER HB2 H 1 3.912 0.000 . 1 . . . . A 41 SER HB2 . 34345 1 373 . 1 . 1 41 41 SER HB3 H 1 3.915 0.000 . 1 . . . . A 41 SER HB3 . 34345 1 374 . 1 . 1 41 41 SER CA C 13 56.964 0.000 . 1 . . . . A 41 SER CA . 34345 1 375 . 1 . 1 41 41 SER CB C 13 61.113 0.000 . 1 . . . . A 41 SER CB . 34345 1 376 . 1 . 1 41 41 SER N N 15 124.532 0.000 . 1 . . . . A 41 SER N . 34345 1 377 . 1 . 1 42 42 TYR H H 1 7.876 0.000 . 1 . . . . A 42 TYR H . 34345 1 378 . 1 . 1 42 42 TYR HA H 1 4.738 0.000 . 1 . . . . A 42 TYR HA . 34345 1 379 . 1 . 1 42 42 TYR HB2 H 1 2.934 0.000 . 1 . . . . A 42 TYR HB2 . 34345 1 380 . 1 . 1 42 42 TYR HB3 H 1 3.224 0.000 . 1 . . . . A 42 TYR HB3 . 34345 1 381 . 1 . 1 42 42 TYR HD1 H 1 6.617 0.000 . 1 . . . . A 42 TYR HD1 . 34345 1 382 . 1 . 1 42 42 TYR HD2 H 1 6.617 0.000 . 1 . . . . A 42 TYR HD2 . 34345 1 383 . 1 . 1 42 42 TYR HE1 H 1 6.737 0.000 . 1 . . . . A 42 TYR HE1 . 34345 1 384 . 1 . 1 42 42 TYR HE2 H 1 6.737 0.000 . 1 . . . . A 42 TYR HE2 . 34345 1 385 . 1 . 1 42 42 TYR CA C 13 50.624 0.000 . 1 . . . . A 42 TYR CA . 34345 1 386 . 1 . 1 42 42 TYR CB C 13 35.200 0.000 . 1 . . . . A 42 TYR CB . 34345 1 387 . 1 . 1 42 42 TYR N N 15 123.706 0.000 . 1 . . . . A 42 TYR N . 34345 1 388 . 1 . 1 43 43 ARG H H 1 8.512 0.000 . 1 . . . . A 43 ARG H . 34345 1 389 . 1 . 1 43 43 ARG HA H 1 4.503 0.000 . 1 . . . . A 43 ARG HA . 34345 1 390 . 1 . 1 43 43 ARG HB2 H 1 1.388 0.000 . 1 . . . . A 43 ARG HB2 . 34345 1 391 . 1 . 1 43 43 ARG HB3 H 1 1.389 0.000 . 1 . . . . A 43 ARG HB3 . 34345 1 392 . 1 . 1 43 43 ARG HG2 H 1 1.389 0.000 . 1 . . . . A 43 ARG HG2 . 34345 1 393 . 1 . 1 43 43 ARG HG3 H 1 1.466 0.000 . 1 . . . . A 43 ARG HG3 . 34345 1 394 . 1 . 1 43 43 ARG HD2 H 1 2.915 0.000 . 1 . . . . A 43 ARG HD2 . 34345 1 395 . 1 . 1 43 43 ARG HD3 H 1 2.915 0.000 . 1 . . . . A 43 ARG HD3 . 34345 1 396 . 1 . 1 43 43 ARG HE H 1 7.010 0.000 . 1 . . . . A 43 ARG HE . 34345 1 397 . 1 . 1 43 43 ARG CA C 13 50.738 0.000 . 1 . . . . A 43 ARG CA . 34345 1 398 . 1 . 1 43 43 ARG CB C 13 30.112 0.000 . 1 . . . . A 43 ARG CB . 34345 1 399 . 1 . 1 43 43 ARG N N 15 116.270 0.000 . 1 . . . . A 43 ARG N . 34345 1 400 . 1 . 1 44 44 CYS H H 1 8.755 0.000 . 1 . . . . A 44 CYS H . 34345 1 401 . 1 . 1 44 44 CYS HA H 1 4.622 0.000 . 1 . . . . A 44 CYS HA . 34345 1 402 . 1 . 1 44 44 CYS HB2 H 1 2.933 0.000 . 1 . . . . A 44 CYS HB2 . 34345 1 403 . 1 . 1 44 44 CYS HB3 H 1 2.819 0.000 . 1 . . . . A 44 CYS HB3 . 34345 1 404 . 1 . 1 44 44 CYS CA C 13 52.024 0.000 . 1 . . . . A 44 CYS CA . 34345 1 405 . 1 . 1 44 44 CYS CB C 13 35.886 0.000 . 1 . . . . A 44 CYS CB . 34345 1 406 . 1 . 1 44 44 CYS N N 15 118.109 0.000 . 1 . . . . A 44 CYS N . 34345 1 407 . 1 . 1 45 45 CYS H H 1 8.531 0.000 . 1 . . . . A 45 CYS H . 34345 1 408 . 1 . 1 45 45 CYS HA H 1 5.061 0.000 . 1 . . . . A 45 CYS HA . 34345 1 409 . 1 . 1 45 45 CYS HB2 H 1 2.803 0.000 . 1 . . . . A 45 CYS HB2 . 34345 1 410 . 1 . 1 45 45 CYS HB3 H 1 2.733 0.000 . 1 . . . . A 45 CYS HB3 . 34345 1 411 . 1 . 1 45 45 CYS CA C 13 51.087 0.000 . 1 . . . . A 45 CYS CA . 34345 1 412 . 1 . 1 45 45 CYS CB C 13 38.095 0.000 . 1 . . . . A 45 CYS CB . 34345 1 413 . 1 . 1 45 45 CYS N N 15 129.762 0.000 . 1 . . . . A 45 CYS N . 34345 1 414 . 1 . 1 46 46 ARG H H 1 8.882 0.000 . 1 . . . . A 46 ARG H . 34345 1 415 . 1 . 1 46 46 ARG HA H 1 4.924 0.000 . 1 . . . . A 46 ARG HA . 34345 1 416 . 1 . 1 46 46 ARG HB2 H 1 0.529 0.000 . 1 . . . . A 46 ARG HB2 . 34345 1 417 . 1 . 1 46 46 ARG HB3 H 1 1.748 0.000 . 1 . . . . A 46 ARG HB3 . 34345 1 418 . 1 . 1 46 46 ARG HG2 H 1 1.308 0.000 . 1 . . . . A 46 ARG HG2 . 34345 1 419 . 1 . 1 46 46 ARG HG3 H 1 1.384 0.000 . 1 . . . . A 46 ARG HG3 . 34345 1 420 . 1 . 1 46 46 ARG HD2 H 1 2.882 0.000 . 1 . . . . A 46 ARG HD2 . 34345 1 421 . 1 . 1 46 46 ARG HD3 H 1 3.158 0.000 . 1 . . . . A 46 ARG HD3 . 34345 1 422 . 1 . 1 46 46 ARG HE H 1 7.161 0.000 . 1 . . . . A 46 ARG HE . 34345 1 423 . 1 . 1 46 46 ARG CA C 13 49.834 0.000 . 1 . . . . A 46 ARG CA . 34345 1 424 . 1 . 1 46 46 ARG CB C 13 29.892 0.000 . 1 . . . . A 46 ARG CB . 34345 1 425 . 1 . 1 46 46 ARG N N 15 125.106 0.000 . 1 . . . . A 46 ARG N . 34345 1 426 . 1 . 1 47 47 PRO HA H 1 4.654 0.000 . 1 . . . . A 47 PRO HA . 34345 1 427 . 1 . 1 47 47 PRO HB2 H 1 2.472 0.000 . 1 . . . . A 47 PRO HB2 . 34345 1 428 . 1 . 1 47 47 PRO HB3 H 1 2.103 0.000 . 1 . . . . A 47 PRO HB3 . 34345 1 429 . 1 . 1 47 47 PRO HG2 H 1 2.179 0.000 . 1 . . . . A 47 PRO HG2 . 34345 1 430 . 1 . 1 47 47 PRO HG3 H 1 2.262 0.000 . 1 . . . . A 47 PRO HG3 . 34345 1 431 . 1 . 1 47 47 PRO HD2 H 1 3.830 0.000 . 1 . . . . A 47 PRO HD2 . 34345 1 432 . 1 . 1 47 47 PRO HD3 H 1 4.119 0.000 . 1 . . . . A 47 PRO HD3 . 34345 1 433 . 1 . 1 47 47 PRO CA C 13 60.717 0.000 . 1 . . . . A 47 PRO CA . 34345 1 434 . 1 . 1 47 47 PRO CB C 13 29.845 0.000 . 1 . . . . A 47 PRO CB . 34345 1 435 . 1 . 1 48 48 GLY H H 1 8.631 0.000 . 1 . . . . A 48 GLY H . 34345 1 436 . 1 . 1 48 48 GLY HA2 H 1 4.033 0.000 . 1 . . . . A 48 GLY HA2 . 34345 1 437 . 1 . 1 48 48 GLY HA3 H 1 4.228 0.000 . 1 . . . . A 48 GLY HA3 . 34345 1 438 . 1 . 1 48 48 GLY CA C 13 42.416 0.000 . 1 . . . . A 48 GLY CA . 34345 1 439 . 1 . 1 48 48 GLY N N 15 109.990 0.000 . 1 . . . . A 48 GLY N . 34345 1 440 . 1 . 1 49 49 ARG H H 1 8.283 0.000 . 1 . . . . A 49 ARG H . 34345 1 441 . 1 . 1 49 49 ARG HA H 1 4.364 0.000 . 1 . . . . A 49 ARG HA . 34345 1 442 . 1 . 1 49 49 ARG HB2 H 1 1.786 0.000 . 1 . . . . A 49 ARG HB2 . 34345 1 443 . 1 . 1 49 49 ARG HB3 H 1 1.685 0.000 . 1 . . . . A 49 ARG HB3 . 34345 1 444 . 1 . 1 49 49 ARG HG2 H 1 1.608 0.000 . 1 . . . . A 49 ARG HG2 . 34345 1 445 . 1 . 1 49 49 ARG HG3 H 1 1.608 0.000 . 1 . . . . A 49 ARG HG3 . 34345 1 446 . 1 . 1 49 49 ARG HD2 H 1 3.176 0.000 . 1 . . . . A 49 ARG HD2 . 34345 1 447 . 1 . 1 49 49 ARG HD3 H 1 3.177 0.000 . 1 . . . . A 49 ARG HD3 . 34345 1 448 . 1 . 1 49 49 ARG HE H 1 7.136 0.000 . 1 . . . . A 49 ARG HE . 34345 1 449 . 1 . 1 49 49 ARG CA C 13 52.936 0.000 . 1 . . . . A 49 ARG CA . 34345 1 450 . 1 . 1 49 49 ARG CB C 13 28.887 0.000 . 1 . . . . A 49 ARG CB . 34345 1 451 . 1 . 1 49 49 ARG CD C 13 47.100 0.000 . 1 . . . . A 49 ARG CD . 34345 1 452 . 1 . 1 49 49 ARG N N 15 120.283 0.000 . 1 . . . . A 49 ARG N . 34345 1 453 . 1 . 1 50 50 AAR H H 1 8.343 0.000 . 1 . . . . A 50 AAR H . 34345 1 454 . 1 . 1 50 50 AAR N N 15 123.467 0.000 . 1 . . . . A 50 AAR N . 34345 1 455 . 1 . 1 50 50 AAR CA C 13 53.387 0.000 . 1 . . . . A 50 AAR CA . 34345 1 456 . 1 . 1 50 50 AAR CB C 13 28.071 0.000 . 1 . . . . A 50 AAR CB . 34345 1 457 . 1 . 1 50 50 AAR HA H 1 3.966 0.000 . 1 . . . . A 50 AAR HA . 34345 1 458 . 1 . 1 50 50 AAR HB2 H 1 1.556 0.000 . 1 . . . . A 50 AAR HB2 . 34345 1 459 . 1 . 1 50 50 AAR HB3 H 1 1.705 0.000 . 1 . . . . A 50 AAR HB3 . 34345 1 460 . 1 . 1 50 50 AAR HD2 H 1 3.169 0.000 . 1 . . . . A 50 AAR HD2 . 34345 1 461 . 1 . 1 50 50 AAR HD3 H 1 3.171 0.000 . 1 . . . . A 50 AAR HD3 . 34345 1 462 . 1 . 1 50 50 AAR HE H 1 7.195 0.000 . 1 . . . . A 50 AAR HE . 34345 1 463 . 1 . 1 50 50 AAR HG2 H 1 1.504 0.000 . 1 . . . . A 50 AAR HG2 . 34345 1 464 . 1 . 1 50 50 AAR HG3 H 1 1.504 0.000 . 1 . . . . A 50 AAR HG3 . 34345 1 stop_ save_