################################### # 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 19450 _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-15N HSQC' . . . 19450 1 2 '2D 1H-13C HSQC' . . . 19450 1 3 '2D 1H-1H NOESY' . . . 19450 1 5 '2D 1H-1H TOCSY' . . . 19450 1 6 '2D DQF-COSY' . . . 19450 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 VAL HA H 1 3.764 0.007 . 1 . . . A 1 VAL HA . 19450 1 2 . 1 1 1 1 VAL HB H 1 2.158 0.005 . 1 . . . A 1 VAL HB . 19450 1 3 . 1 1 1 1 VAL HG21 H 1 0.955 0.005 . 1 . . . A 1 VAL HG21 . 19450 1 4 . 1 1 1 1 VAL HG22 H 1 0.955 0.005 . 1 . . . A 1 VAL HG22 . 19450 1 5 . 1 1 1 1 VAL HG23 H 1 0.955 0.005 . 1 . . . A 1 VAL HG23 . 19450 1 6 . 1 1 1 1 VAL CA C 13 60.986 0.016 . 1 . . . A 1 VAL CA . 19450 1 7 . 1 1 1 1 VAL CB C 13 32.799 0.000 . 1 . . . A 1 VAL CB . 19450 1 8 . 1 1 1 1 VAL CG1 C 13 19.710 0.000 . 2 . . . A 1 VAL CG1 . 19450 1 9 . 1 1 1 1 VAL CG2 C 13 20.285 0.000 . 2 . . . A 1 VAL CG2 . 19450 1 10 . 1 1 2 2 CYS H H 1 9.029 0.011 . 1 . . . A 2 CYS H . 19450 1 11 . 1 1 2 2 CYS HB2 H 1 3.008 0.000 . 2 . . . A 2 CYS HB2 . 19450 1 12 . 1 1 2 2 CYS HB3 H 1 3.998 0.842 . 2 . . . A 2 CYS HB3 . 19450 1 13 . 1 1 2 2 CYS CB C 13 38.890 0.000 . 1 . . . A 2 CYS CB . 19450 1 14 . 1 1 2 2 CYS N N 15 126.377 0.000 . 1 . . . A 2 CYS N . 19450 1 15 . 1 1 3 3 GLU H H 1 8.376 0.001 . 1 . . . A 3 GLU H . 19450 1 16 . 1 1 3 3 GLU HA H 1 4.706 0.006 . 1 . . . A 3 GLU HA . 19450 1 17 . 1 1 3 3 GLU HB2 H 1 1.904 0.000 . 2 . . . A 3 GLU HB2 . 19450 1 18 . 1 1 3 3 GLU HB3 H 1 2.014 0.000 . 2 . . . A 3 GLU HB3 . 19450 1 19 . 1 1 3 3 GLU HG2 H 1 2.180 0.000 . 2 . . . A 3 GLU HG2 . 19450 1 20 . 1 1 3 3 GLU HG3 H 1 2.075 0.000 . 2 . . . A 3 GLU HG3 . 19450 1 21 . 1 1 3 3 GLU CA C 13 55.882 0.011 . 1 . . . A 3 GLU CA . 19450 1 22 . 1 1 3 3 GLU CB C 13 32.564 0.009 . 1 . . . A 3 GLU CB . 19450 1 23 . 1 1 3 3 GLU CG C 13 33.812 0.015 . 1 . . . A 3 GLU CG . 19450 1 24 . 1 1 3 3 GLU N N 15 124.885 0.000 . 1 . . . A 3 GLU N . 19450 1 25 . 1 1 4 4 ASP H H 1 8.876 0.002 . 1 . . . A 4 ASP H . 19450 1 26 . 1 1 4 4 ASP HA H 1 5.148 0.005 . 1 . . . A 4 ASP HA . 19450 1 27 . 1 1 4 4 ASP HB2 H 1 3.060 0.011 . 2 . . . A 4 ASP HB2 . 19450 1 28 . 1 1 4 4 ASP HB3 H 1 2.608 0.005 . 2 . . . A 4 ASP HB3 . 19450 1 29 . 1 1 4 4 ASP CA C 13 55.056 0.014 . 1 . . . A 4 ASP CA . 19450 1 30 . 1 1 4 4 ASP CB C 13 43.228 0.017 . 1 . . . A 4 ASP CB . 19450 1 31 . 1 1 4 4 ASP N N 15 121.930 0.000 . 1 . . . A 4 ASP N . 19450 1 32 . 1 1 5 5 LEU H H 1 9.373 0.002 . 1 . . . A 5 LEU H . 19450 1 33 . 1 1 5 5 LEU HA H 1 4.700 0.007 . 1 . . . A 5 LEU HA . 19450 1 34 . 1 1 5 5 LEU HB2 H 1 2.089 0.002 . 1 . . . A 5 LEU HB2 . 19450 1 35 . 1 1 5 5 LEU HG H 1 1.711 0.005 . 1 . . . A 5 LEU HG . 19450 1 36 . 1 1 5 5 LEU HD21 H 1 0.894 0.002 . 1 . . . A 5 LEU HD21 . 19450 1 37 . 1 1 5 5 LEU HD22 H 1 0.894 0.002 . 1 . . . A 5 LEU HD22 . 19450 1 38 . 1 1 5 5 LEU HD23 H 1 0.894 0.002 . 1 . . . A 5 LEU HD23 . 19450 1 39 . 1 1 5 5 LEU CA C 13 54.430 0.017 . 1 . . . A 5 LEU CA . 19450 1 40 . 1 1 5 5 LEU CB C 13 43.361 0.000 . 1 . . . A 5 LEU CB . 19450 1 41 . 1 1 5 5 LEU CG C 13 27.260 0.000 . 1 . . . A 5 LEU CG . 19450 1 42 . 1 1 5 5 LEU CD1 C 13 25.380 0.000 . 2 . . . A 5 LEU CD1 . 19450 1 43 . 1 1 5 5 LEU CD2 C 13 22.368 0.000 . 2 . . . A 5 LEU CD2 . 19450 1 44 . 1 1 5 5 LEU N N 15 119.092 0.000 . 1 . . . A 5 LEU N . 19450 1 45 . 1 1 6 6 ASN H H 1 7.398 0.005 . 1 . . . A 6 ASN H . 19450 1 46 . 1 1 6 6 ASN HA H 1 4.918 0.004 . 1 . . . A 6 ASN HA . 19450 1 47 . 1 1 6 6 ASN HB2 H 1 3.091 0.011 . 2 . . . A 6 ASN HB2 . 19450 1 48 . 1 1 6 6 ASN HB3 H 1 2.639 0.008 . 2 . . . A 6 ASN HB3 . 19450 1 49 . 1 1 6 6 ASN HD21 H 1 7.536 0.002 . 1 . . . A 6 ASN HD21 . 19450 1 50 . 1 1 6 6 ASN HD22 H 1 7.973 0.001 . 1 . . . A 6 ASN HD22 . 19450 1 51 . 1 1 6 6 ASN CA C 13 53.017 0.000 . 1 . . . A 6 ASN CA . 19450 1 52 . 1 1 6 6 ASN CB C 13 42.915 0.004 . 1 . . . A 6 ASN CB . 19450 1 53 . 1 1 6 6 ASN N N 15 117.782 0.000 . 1 . . . A 6 ASN N . 19450 1 54 . 1 1 6 6 ASN ND2 N 15 115.645 0.001 . 1 . . . A 6 ASN ND2 . 19450 1 55 . 1 1 7 7 ALA H H 1 9.016 0.002 . 1 . . . A 7 ALA H . 19450 1 56 . 1 1 7 7 ALA HA H 1 4.152 0.003 . 1 . . . A 7 ALA HA . 19450 1 57 . 1 1 7 7 ALA HB1 H 1 1.174 0.005 . 1 . . . A 7 ALA HB1 . 19450 1 58 . 1 1 7 7 ALA HB2 H 1 1.174 0.005 . 1 . . . A 7 ALA HB2 . 19450 1 59 . 1 1 7 7 ALA HB3 H 1 1.174 0.005 . 1 . . . A 7 ALA HB3 . 19450 1 60 . 1 1 7 7 ALA CA C 13 54.108 0.018 . 1 . . . A 7 ALA CA . 19450 1 61 . 1 1 7 7 ALA CB C 13 18.370 0.000 . 1 . . . A 7 ALA CB . 19450 1 62 . 1 1 7 7 ALA N N 15 130.815 0.000 . 1 . . . A 7 ALA N . 19450 1 63 . 1 1 8 8 HIS H H 1 9.346 0.002 . 1 . . . A 8 HIS H . 19450 1 64 . 1 1 8 8 HIS HA H 1 4.335 0.002 . 1 . . . A 8 HIS HA . 19450 1 65 . 1 1 8 8 HIS HB2 H 1 1.639 0.003 . 2 . . . A 8 HIS HB2 . 19450 1 66 . 1 1 8 8 HIS HB3 H 1 1.029 0.007 . 2 . . . A 8 HIS HB3 . 19450 1 67 . 1 1 8 8 HIS HD2 H 1 7.109 0.005 . 1 . . . A 8 HIS HD2 . 19450 1 68 . 1 1 8 8 HIS HE1 H 1 8.538 0.012 . 1 . . . A 8 HIS HE1 . 19450 1 69 . 1 1 8 8 HIS CA C 13 62.017 0.000 . 1 . . . A 8 HIS CA . 19450 1 70 . 1 1 8 8 HIS CB C 13 25.596 0.000 . 1 . . . A 8 HIS CB . 19450 1 71 . 1 1 8 8 HIS CD2 C 13 119.939 0.000 . 1 . . . A 8 HIS CD2 . 19450 1 72 . 1 1 8 8 HIS CE1 C 13 136.183 0.000 . 1 . . . A 8 HIS CE1 . 19450 1 73 . 1 1 8 8 HIS N N 15 114.507 0.000 . 1 . . . A 8 HIS N . 19450 1 74 . 1 1 9 9 CYS H H 1 7.505 0.001 . 1 . . . A 9 CYS H . 19450 1 75 . 1 1 9 9 CYS HA H 1 4.434 0.004 . 1 . . . A 9 CYS HA . 19450 1 76 . 1 1 9 9 CYS HB2 H 1 3.041 0.005 . 2 . . . A 9 CYS HB2 . 19450 1 77 . 1 1 9 9 CYS HB3 H 1 2.757 0.002 . 2 . . . A 9 CYS HB3 . 19450 1 78 . 1 1 9 9 CYS CA C 13 59.789 0.016 . 1 . . . A 9 CYS CA . 19450 1 79 . 1 1 9 9 CYS CB C 13 36.932 0.016 . 1 . . . A 9 CYS CB . 19450 1 80 . 1 1 9 9 CYS N N 15 116.419 0.000 . 1 . . . A 9 CYS N . 19450 1 81 . 1 1 10 10 GLU H H 1 8.848 0.001 . 1 . . . A 10 GLU H . 19450 1 82 . 1 1 10 10 GLU HA H 1 4.082 0.004 . 1 . . . A 10 GLU HA . 19450 1 83 . 1 1 10 10 GLU HB2 H 1 2.065 0.001 . 1 . . . A 10 GLU HB2 . 19450 1 84 . 1 1 10 10 GLU HG2 H 1 2.320 0.012 . 2 . . . A 10 GLU HG2 . 19450 1 85 . 1 1 10 10 GLU HG3 H 1 2.397 0.000 . 2 . . . A 10 GLU HG3 . 19450 1 86 . 1 1 10 10 GLU CA C 13 60.177 0.000 . 1 . . . A 10 GLU CA . 19450 1 87 . 1 1 10 10 GLU CB C 13 28.147 0.000 . 1 . . . A 10 GLU CB . 19450 1 88 . 1 1 10 10 GLU CG C 13 35.560 0.001 . 1 . . . A 10 GLU CG . 19450 1 89 . 1 1 10 10 GLU N N 15 119.951 0.000 . 1 . . . A 10 GLU N . 19450 1 90 . 1 1 11 11 MET H H 1 7.920 0.003 . 1 . . . A 11 MET H . 19450 1 91 . 1 1 11 11 MET HA H 1 4.107 0.007 . 1 . . . A 11 MET HA . 19450 1 92 . 1 1 11 11 MET HB2 H 1 1.918 0.000 . 2 . . . A 11 MET HB2 . 19450 1 93 . 1 1 11 11 MET HB3 H 1 2.024 0.000 . 2 . . . A 11 MET HB3 . 19450 1 94 . 1 1 11 11 MET HG2 H 1 2.534 0.000 . 2 . . . A 11 MET HG2 . 19450 1 95 . 1 1 11 11 MET HG3 H 1 2.389 0.000 . 2 . . . A 11 MET HG3 . 19450 1 96 . 1 1 11 11 MET HE1 H 1 1.949 0.000 . 1 . . . A 11 MET HE1 . 19450 1 97 . 1 1 11 11 MET HE2 H 1 1.949 0.000 . 1 . . . A 11 MET HE2 . 19450 1 98 . 1 1 11 11 MET HE3 H 1 1.949 0.000 . 1 . . . A 11 MET HE3 . 19450 1 99 . 1 1 11 11 MET CA C 13 58.574 0.000 . 1 . . . A 11 MET CA . 19450 1 100 . 1 1 11 11 MET CB C 13 31.841 0.016 . 1 . . . A 11 MET CB . 19450 1 101 . 1 1 11 11 MET CG C 13 31.567 0.004 . 1 . . . A 11 MET CG . 19450 1 102 . 1 1 11 11 MET CE C 13 17.016 0.000 . 1 . . . A 11 MET CE . 19450 1 103 . 1 1 11 11 MET N N 15 121.293 0.000 . 1 . . . A 11 MET N . 19450 1 104 . 1 1 12 12 TRP H H 1 8.383 0.002 . 1 . . . A 12 TRP H . 19450 1 105 . 1 1 12 12 TRP HA H 1 4.245 0.000 . 1 . . . A 12 TRP HA . 19450 1 106 . 1 1 12 12 TRP HB2 H 1 3.445 0.006 . 2 . . . A 12 TRP HB2 . 19450 1 107 . 1 1 12 12 TRP HB3 H 1 2.968 0.012 . 2 . . . A 12 TRP HB3 . 19450 1 108 . 1 1 12 12 TRP HD1 H 1 6.699 0.005 . 1 . . . A 12 TRP HD1 . 19450 1 109 . 1 1 12 12 TRP HE1 H 1 10.134 0.000 . 1 . . . A 12 TRP HE1 . 19450 1 110 . 1 1 12 12 TRP HE3 H 1 7.642 0.004 . 1 . . . A 12 TRP HE3 . 19450 1 111 . 1 1 12 12 TRP HZ2 H 1 7.215 0.012 . 1 . . . A 12 TRP HZ2 . 19450 1 112 . 1 1 12 12 TRP HZ3 H 1 7.086 0.002 . 1 . . . A 12 TRP HZ3 . 19450 1 113 . 1 1 12 12 TRP HH2 H 1 7.148 0.007 . 1 . . . A 12 TRP HH2 . 19450 1 114 . 1 1 12 12 TRP CA C 13 58.110 0.000 . 1 . . . A 12 TRP CA . 19450 1 115 . 1 1 12 12 TRP CB C 13 28.680 0.013 . 1 . . . A 12 TRP CB . 19450 1 116 . 1 1 12 12 TRP CD1 C 13 122.725 0.000 . 1 . . . A 12 TRP CD1 . 19450 1 117 . 1 1 12 12 TRP CE3 C 13 119.961 0.024 . 1 . . . A 12 TRP CE3 . 19450 1 118 . 1 1 12 12 TRP CZ2 C 13 114.614 0.001 . 1 . . . A 12 TRP CZ2 . 19450 1 119 . 1 1 12 12 TRP CZ3 C 13 122.543 0.000 . 1 . . . A 12 TRP CZ3 . 19450 1 120 . 1 1 12 12 TRP N N 15 118.764 0.000 . 1 . . . A 12 TRP N . 19450 1 121 . 1 1 12 12 TRP NE1 N 15 128.200 0.000 . 1 . . . A 12 TRP NE1 . 19450 1 122 . 1 1 13 13 GLN H H 1 9.051 0.001 . 1 . . . A 13 GLN H . 19450 1 123 . 1 1 13 13 GLN HA H 1 4.235 0.001 . 1 . . . A 13 GLN HA . 19450 1 124 . 1 1 13 13 GLN HB2 H 1 2.770 0.000 . 2 . . . A 13 GLN HB2 . 19450 1 125 . 1 1 13 13 GLN HB3 H 1 1.818 0.001 . 2 . . . A 13 GLN HB3 . 19450 1 126 . 1 1 13 13 GLN HG2 H 1 2.795 0.000 . 2 . . . A 13 GLN HG2 . 19450 1 127 . 1 1 13 13 GLN HG3 H 1 2.540 0.003 . 2 . . . A 13 GLN HG3 . 19450 1 128 . 1 1 13 13 GLN HE21 H 1 6.713 0.002 . 1 . . . A 13 GLN HE21 . 19450 1 129 . 1 1 13 13 GLN HE22 H 1 7.338 0.002 . 1 . . . A 13 GLN HE22 . 19450 1 130 . 1 1 13 13 GLN CA C 13 59.211 0.000 . 1 . . . A 13 GLN CA . 19450 1 131 . 1 1 13 13 GLN CB C 13 26.889 0.002 . 1 . . . A 13 GLN CB . 19450 1 132 . 1 1 13 13 GLN CG C 13 32.872 0.002 . 1 . . . A 13 GLN CG . 19450 1 133 . 1 1 13 13 GLN N N 15 123.583 0.000 . 1 . . . A 13 GLN N . 19450 1 134 . 1 1 13 13 GLN NE2 N 15 109.946 0.009 . 1 . . . A 13 GLN NE2 . 19450 1 135 . 1 1 14 14 GLN H H 1 8.359 0.004 . 1 . . . A 14 GLN H . 19450 1 136 . 1 1 14 14 GLN HA H 1 3.975 0.005 . 1 . . . A 14 GLN HA . 19450 1 137 . 1 1 14 14 GLN HB2 H 1 2.219 0.000 . 2 . . . A 14 GLN HB2 . 19450 1 138 . 1 1 14 14 GLN HB3 H 1 2.396 0.007 . 2 . . . A 14 GLN HB3 . 19450 1 139 . 1 1 14 14 GLN HG2 H 1 2.704 0.000 . 2 . . . A 14 GLN HG2 . 19450 1 140 . 1 1 14 14 GLN HG3 H 1 2.530 0.000 . 2 . . . A 14 GLN HG3 . 19450 1 141 . 1 1 14 14 GLN HE21 H 1 6.795 0.002 . 1 . . . A 14 GLN HE21 . 19450 1 142 . 1 1 14 14 GLN HE22 H 1 7.604 0.001 . 1 . . . A 14 GLN HE22 . 19450 1 143 . 1 1 14 14 GLN CA C 13 58.935 0.014 . 1 . . . A 14 GLN CA . 19450 1 144 . 1 1 14 14 GLN CB C 13 27.999 0.010 . 1 . . . A 14 GLN CB . 19450 1 145 . 1 1 14 14 GLN CG C 13 34.165 0.006 . 1 . . . A 14 GLN CG . 19450 1 146 . 1 1 14 14 GLN N N 15 114.111 0.000 . 1 . . . A 14 GLN N . 19450 1 147 . 1 1 14 14 GLN NE2 N 15 111.818 0.003 . 1 . . . A 14 GLN NE2 . 19450 1 148 . 1 1 15 15 LEU H H 1 7.553 0.001 . 1 . . . A 15 LEU H . 19450 1 149 . 1 1 15 15 LEU HA H 1 4.471 0.003 . 1 . . . A 15 LEU HA . 19450 1 150 . 1 1 15 15 LEU HB2 H 1 1.899 0.000 . 2 . . . A 15 LEU HB2 . 19450 1 151 . 1 1 15 15 LEU HB3 H 1 1.688 0.000 . 2 . . . A 15 LEU HB3 . 19450 1 152 . 1 1 15 15 LEU HD21 H 1 0.960 0.000 . 1 . . . A 15 LEU HD21 . 19450 1 153 . 1 1 15 15 LEU HD22 H 1 0.960 0.000 . 1 . . . A 15 LEU HD22 . 19450 1 154 . 1 1 15 15 LEU HD23 H 1 0.960 0.000 . 1 . . . A 15 LEU HD23 . 19450 1 155 . 1 1 15 15 LEU CA C 13 54.794 0.001 . 1 . . . A 15 LEU CA . 19450 1 156 . 1 1 15 15 LEU CB C 13 43.107 0.006 . 1 . . . A 15 LEU CB . 19450 1 157 . 1 1 15 15 LEU CG C 13 26.349 0.000 . 1 . . . A 15 LEU CG . 19450 1 158 . 1 1 15 15 LEU CD2 C 13 22.083 0.000 . 1 . . . A 15 LEU CD2 . 19450 1 159 . 1 1 15 15 LEU N N 15 117.658 0.000 . 1 . . . A 15 LEU N . 19450 1 160 . 1 1 16 16 GLY H H 1 7.859 0.002 . 1 . . . A 16 GLY H . 19450 1 161 . 1 1 16 16 GLY HA2 H 1 4.045 0.002 . 2 . . . A 16 GLY HA2 . 19450 1 162 . 1 1 16 16 GLY HA3 H 1 4.438 0.001 . 2 . . . A 16 GLY HA3 . 19450 1 163 . 1 1 16 16 GLY CA C 13 46.260 0.031 . 1 . . . A 16 GLY CA . 19450 1 164 . 1 1 16 16 GLY N N 15 106.380 0.000 . 1 . . . A 16 GLY N . 19450 1 165 . 1 1 17 17 HIS H H 1 8.606 0.005 . 1 . . . A 17 HIS H . 19450 1 166 . 1 1 17 17 HIS HA H 1 4.233 0.005 . 1 . . . A 17 HIS HA . 19450 1 167 . 1 1 17 17 HIS HB2 H 1 3.222 0.005 . 2 . . . A 17 HIS HB2 . 19450 1 168 . 1 1 17 17 HIS HB3 H 1 2.972 0.010 . 2 . . . A 17 HIS HB3 . 19450 1 169 . 1 1 17 17 HIS HD2 H 1 7.000 0.001 . 1 . . . A 17 HIS HD2 . 19450 1 170 . 1 1 17 17 HIS HE1 H 1 7.917 0.003 . 1 . . . A 17 HIS HE1 . 19450 1 171 . 1 1 17 17 HIS CA C 13 58.912 0.000 . 1 . . . A 17 HIS CA . 19450 1 172 . 1 1 17 17 HIS CB C 13 29.782 0.004 . 1 . . . A 17 HIS CB . 19450 1 173 . 1 1 17 17 HIS CD2 C 13 118.058 0.000 . 1 . . . A 17 HIS CD2 . 19450 1 174 . 1 1 17 17 HIS CE1 C 13 137.469 0.000 . 1 . . . A 17 HIS CE1 . 19450 1 175 . 1 1 17 17 HIS N N 15 116.016 0.000 . 1 . . . A 17 HIS N . 19450 1 176 . 1 1 18 18 CYS H H 1 9.681 0.003 . 1 . . . A 18 CYS H . 19450 1 177 . 1 1 18 18 CYS HA H 1 4.020 0.002 . 1 . . . A 18 CYS HA . 19450 1 178 . 1 1 18 18 CYS HB2 H 1 3.114 0.002 . 1 . . . A 18 CYS HB2 . 19450 1 179 . 1 1 18 18 CYS CA C 13 59.405 0.000 . 1 . . . A 18 CYS CA . 19450 1 180 . 1 1 18 18 CYS CB C 13 37.937 0.000 . 1 . . . A 18 CYS CB . 19450 1 181 . 1 1 18 18 CYS N N 15 119.185 0.000 . 1 . . . A 18 CYS N . 19450 1 182 . 1 1 19 19 GLN H H 1 7.173 0.002 . 1 . . . A 19 GLN H . 19450 1 183 . 1 1 19 19 GLN HA H 1 4.284 0.004 . 1 . . . A 19 GLN HA . 19450 1 184 . 1 1 19 19 GLN HB2 H 1 1.989 0.002 . 1 . . . A 19 GLN HB2 . 19450 1 185 . 1 1 19 19 GLN HG2 H 1 2.219 0.000 . 1 . . . A 19 GLN HG2 . 19450 1 186 . 1 1 19 19 GLN HE21 H 1 7.509 0.000 . 1 . . . A 19 GLN HE21 . 19450 1 187 . 1 1 19 19 GLN HE22 H 1 6.930 0.002 . 1 . . . A 19 GLN HE22 . 19450 1 188 . 1 1 19 19 GLN CA C 13 57.548 0.021 . 1 . . . A 19 GLN CA . 19450 1 189 . 1 1 19 19 GLN CB C 13 28.742 0.012 . 1 . . . A 19 GLN CB . 19450 1 190 . 1 1 19 19 GLN CG C 13 34.080 0.000 . 1 . . . A 19 GLN CG . 19450 1 191 . 1 1 19 19 GLN N N 15 114.091 0.000 . 1 . . . A 19 GLN N . 19450 1 192 . 1 1 19 19 GLN NE2 N 15 112.544 0.001 . 1 . . . A 19 GLN NE2 . 19450 1 193 . 1 1 20 20 TYR H H 1 7.442 0.000 . 1 . . . A 20 TYR H . 19450 1 194 . 1 1 20 20 TYR HA H 1 4.633 0.006 . 1 . . . A 20 TYR HA . 19450 1 195 . 1 1 20 20 TYR HB2 H 1 3.124 0.004 . 2 . . . A 20 TYR HB2 . 19450 1 196 . 1 1 20 20 TYR HB3 H 1 2.827 0.001 . 2 . . . A 20 TYR HB3 . 19450 1 197 . 1 1 20 20 TYR HD1 H 1 6.993 0.003 . 3 . . . A 20 TYR HD1 . 19450 1 198 . 1 1 20 20 TYR HD2 H 1 6.993 0.003 . 3 . . . A 20 TYR HD2 . 19450 1 199 . 1 1 20 20 TYR HE1 H 1 6.838 0.003 . 3 . . . A 20 TYR HE1 . 19450 1 200 . 1 1 20 20 TYR HE2 H 1 6.838 0.003 . 3 . . . A 20 TYR HE2 . 19450 1 201 . 1 1 20 20 TYR CA C 13 58.801 0.011 . 1 . . . A 20 TYR CA . 19450 1 202 . 1 1 20 20 TYR CB C 13 38.974 0.012 . 1 . . . A 20 TYR CB . 19450 1 203 . 1 1 20 20 TYR CD1 C 13 132.677 0.000 . 3 . . . A 20 TYR CD1 . 19450 1 204 . 1 1 20 20 TYR CD2 C 13 132.677 0.000 . 3 . . . A 20 TYR CD2 . 19450 1 205 . 1 1 20 20 TYR CE1 C 13 118.209 0.000 . 3 . . . A 20 TYR CE1 . 19450 1 206 . 1 1 20 20 TYR CE2 C 13 118.209 0.000 . 3 . . . A 20 TYR CE2 . 19450 1 207 . 1 1 20 20 TYR N N 15 116.340 0.000 . 1 . . . A 20 TYR N . 19450 1 208 . 1 1 21 21 SER H H 1 8.372 0.004 . 1 . . . A 21 SER H . 19450 1 209 . 1 1 21 21 SER HA H 1 4.933 0.018 . 1 . . . A 21 SER HA . 19450 1 210 . 1 1 21 21 SER HB2 H 1 3.644 0.021 . 2 . . . A 21 SER HB2 . 19450 1 211 . 1 1 21 21 SER HB3 H 1 4.081 0.011 . 2 . . . A 21 SER HB3 . 19450 1 212 . 1 1 21 21 SER CA C 13 54.779 0.000 . 1 . . . A 21 SER CA . 19450 1 213 . 1 1 21 21 SER CB C 13 63.040 0.016 . 1 . . . A 21 SER CB . 19450 1 214 . 1 1 21 21 SER N N 15 123.873 0.000 . 1 . . . A 21 SER N . 19450 1 215 . 1 1 22 22 PRO HA H 1 4.243 0.005 . 1 . . . A 22 PRO HA . 19450 1 216 . 1 1 22 22 PRO HB2 H 1 2.353 0.002 . 2 . . . A 22 PRO HB2 . 19450 1 217 . 1 1 22 22 PRO HB3 H 1 1.993 0.004 . 2 . . . A 22 PRO HB3 . 19450 1 218 . 1 1 22 22 PRO HG2 H 1 2.053 0.012 . 1 . . . A 22 PRO HG2 . 19450 1 219 . 1 1 22 22 PRO HD2 H 1 3.342 0.005 . 2 . . . A 22 PRO HD2 . 19450 1 220 . 1 1 22 22 PRO HD3 H 1 3.628 0.010 . 2 . . . A 22 PRO HD3 . 19450 1 221 . 1 1 22 22 PRO CA C 13 65.637 0.014 . 1 . . . A 22 PRO CA . 19450 1 222 . 1 1 22 22 PRO CB C 13 31.840 0.002 . 1 . . . A 22 PRO CB . 19450 1 223 . 1 1 22 22 PRO CG C 13 27.415 0.000 . 1 . . . A 22 PRO CG . 19450 1 224 . 1 1 22 22 PRO CD C 13 50.334 0.014 . 1 . . . A 22 PRO CD . 19450 1 225 . 1 1 23 23 LYS H H 1 8.225 0.002 . 1 . . . A 23 LYS H . 19450 1 226 . 1 1 23 23 LYS HA H 1 4.126 0.005 . 1 . . . A 23 LYS HA . 19450 1 227 . 1 1 23 23 LYS HB2 H 1 1.879 0.000 . 1 . . . A 23 LYS HB2 . 19450 1 228 . 1 1 23 23 LYS HG2 H 1 1.401 0.000 . 2 . . . A 23 LYS HG2 . 19450 1 229 . 1 1 23 23 LYS HG3 H 1 1.517 0.000 . 2 . . . A 23 LYS HG3 . 19450 1 230 . 1 1 23 23 LYS HD2 H 1 1.709 0.000 . 1 . . . A 23 LYS HD2 . 19450 1 231 . 1 1 23 23 LYS CA C 13 59.531 0.000 . 1 . . . A 23 LYS CA . 19450 1 232 . 1 1 23 23 LYS CB C 13 31.668 0.000 . 1 . . . A 23 LYS CB . 19450 1 233 . 1 1 23 23 LYS CG C 13 25.314 0.003 . 1 . . . A 23 LYS CG . 19450 1 234 . 1 1 23 23 LYS CD C 13 29.027 0.000 . 1 . . . A 23 LYS CD . 19450 1 235 . 1 1 23 23 LYS CE C 13 41.971 0.000 . 1 . . . A 23 LYS CE . 19450 1 236 . 1 1 23 23 LYS N N 15 121.196 0.000 . 1 . . . A 23 LYS N . 19450 1 237 . 1 1 24 24 TYR H H 1 8.318 0.001 . 1 . . . A 24 TYR H . 19450 1 238 . 1 1 24 24 TYR HA H 1 4.324 0.002 . 1 . . . A 24 TYR HA . 19450 1 239 . 1 1 24 24 TYR HB2 H 1 2.820 0.000 . 2 . . . A 24 TYR HB2 . 19450 1 240 . 1 1 24 24 TYR HB3 H 1 3.151 0.006 . 2 . . . A 24 TYR HB3 . 19450 1 241 . 1 1 24 24 TYR HD1 H 1 6.838 0.001 . 3 . . . A 24 TYR HD1 . 19450 1 242 . 1 1 24 24 TYR HD2 H 1 6.838 0.001 . 3 . . . A 24 TYR HD2 . 19450 1 243 . 1 1 24 24 TYR HE1 H 1 6.518 0.004 . 3 . . . A 24 TYR HE1 . 19450 1 244 . 1 1 24 24 TYR HE2 H 1 6.518 0.004 . 3 . . . A 24 TYR HE2 . 19450 1 245 . 1 1 24 24 TYR CA C 13 55.347 0.000 . 1 . . . A 24 TYR CA . 19450 1 246 . 1 1 24 24 TYR CB C 13 39.369 0.008 . 1 . . . A 24 TYR CB . 19450 1 247 . 1 1 24 24 TYR CD1 C 13 132.634 0.000 . 3 . . . A 24 TYR CD1 . 19450 1 248 . 1 1 24 24 TYR CD2 C 13 132.634 0.000 . 3 . . . A 24 TYR CD2 . 19450 1 249 . 1 1 24 24 TYR CE1 C 13 119.172 0.000 . 3 . . . A 24 TYR CE1 . 19450 1 250 . 1 1 24 24 TYR CE2 C 13 119.172 0.000 . 3 . . . A 24 TYR CE2 . 19450 1 251 . 1 1 24 24 TYR N N 15 120.716 0.000 . 1 . . . A 24 TYR N . 19450 1 252 . 1 1 25 25 MET H H 1 8.636 0.001 . 1 . . . A 25 MET H . 19450 1 253 . 1 1 25 25 MET HA H 1 4.344 0.004 . 1 . . . A 25 MET HA . 19450 1 254 . 1 1 25 25 MET HB2 H 1 2.169 0.003 . 2 . . . A 25 MET HB2 . 19450 1 255 . 1 1 25 25 MET HB3 H 1 2.451 0.007 . 2 . . . A 25 MET HB3 . 19450 1 256 . 1 1 25 25 MET HG2 H 1 2.378 0.000 . 2 . . . A 25 MET HG2 . 19450 1 257 . 1 1 25 25 MET HG3 H 1 2.848 0.014 . 2 . . . A 25 MET HG3 . 19450 1 258 . 1 1 25 25 MET HE1 H 1 2.277 0.001 . 1 . . . A 25 MET HE1 . 19450 1 259 . 1 1 25 25 MET HE2 H 1 2.277 0.001 . 1 . . . A 25 MET HE2 . 19450 1 260 . 1 1 25 25 MET HE3 H 1 2.277 0.001 . 1 . . . A 25 MET HE3 . 19450 1 261 . 1 1 25 25 MET CA C 13 56.843 0.000 . 1 . . . A 25 MET CA . 19450 1 262 . 1 1 25 25 MET CB C 13 31.620 0.001 . 1 . . . A 25 MET CB . 19450 1 263 . 1 1 25 25 MET CG C 13 33.891 0.006 . 1 . . . A 25 MET CG . 19450 1 264 . 1 1 25 25 MET CE C 13 18.794 0.000 . 1 . . . A 25 MET CE . 19450 1 265 . 1 1 25 25 MET N N 15 117.494 0.000 . 1 . . . A 25 MET N . 19450 1 266 . 1 1 26 26 GLY H H 1 8.290 0.003 . 1 . . . A 26 GLY H . 19450 1 267 . 1 1 26 26 GLY HA2 H 1 3.777 0.006 . 1 . . . A 26 GLY HA2 . 19450 1 268 . 1 1 26 26 GLY CA C 13 45.915 0.012 . 1 . . . A 26 GLY CA . 19450 1 269 . 1 1 26 26 GLY N N 15 104.942 0.000 . 1 . . . A 26 GLY N . 19450 1 270 . 1 1 27 27 HIS H H 1 7.206 0.002 . 1 . . . A 27 HIS H . 19450 1 271 . 1 1 27 27 HIS HA H 1 4.566 0.003 . 1 . . . A 27 HIS HA . 19450 1 272 . 1 1 27 27 HIS HB2 H 1 2.881 0.004 . 2 . . . A 27 HIS HB2 . 19450 1 273 . 1 1 27 27 HIS HB3 H 1 2.985 0.002 . 2 . . . A 27 HIS HB3 . 19450 1 274 . 1 1 27 27 HIS HD2 H 1 5.396 0.003 . 1 . . . A 27 HIS HD2 . 19450 1 275 . 1 1 27 27 HIS HE1 H 1 8.421 0.000 . 1 . . . A 27 HIS HE1 . 19450 1 276 . 1 1 27 27 HIS CA C 13 56.626 0.000 . 1 . . . A 27 HIS CA . 19450 1 277 . 1 1 27 27 HIS CB C 13 29.875 0.008 . 1 . . . A 27 HIS CB . 19450 1 278 . 1 1 27 27 HIS CD2 C 13 118.376 0.000 . 1 . . . A 27 HIS CD2 . 19450 1 279 . 1 1 27 27 HIS CE1 C 13 136.196 0.000 . 1 . . . A 27 HIS CE1 . 19450 1 280 . 1 1 27 27 HIS N N 15 115.046 0.000 . 1 . . . A 27 HIS N . 19450 1 281 . 1 1 28 28 TYR H H 1 8.199 0.001 . 1 . . . A 28 TYR H . 19450 1 282 . 1 1 28 28 TYR HA H 1 4.311 0.002 . 1 . . . A 28 TYR HA . 19450 1 283 . 1 1 28 28 TYR HB2 H 1 3.088 0.001 . 2 . . . A 28 TYR HB2 . 19450 1 284 . 1 1 28 28 TYR HB3 H 1 2.398 0.003 . 2 . . . A 28 TYR HB3 . 19450 1 285 . 1 1 28 28 TYR HD1 H 1 6.725 0.004 . 3 . . . A 28 TYR HD1 . 19450 1 286 . 1 1 28 28 TYR HD2 H 1 6.725 0.004 . 3 . . . A 28 TYR HD2 . 19450 1 287 . 1 1 28 28 TYR HE1 H 1 6.513 0.001 . 3 . . . A 28 TYR HE1 . 19450 1 288 . 1 1 28 28 TYR HE2 H 1 6.513 0.001 . 3 . . . A 28 TYR HE2 . 19450 1 289 . 1 1 28 28 TYR CA C 13 61.449 0.000 . 1 . . . A 28 TYR CA . 19450 1 290 . 1 1 28 28 TYR CB C 13 40.662 0.009 . 1 . . . A 28 TYR CB . 19450 1 291 . 1 1 28 28 TYR CD1 C 13 133.975 0.000 . 3 . . . A 28 TYR CD1 . 19450 1 292 . 1 1 28 28 TYR CD2 C 13 133.975 0.000 . 3 . . . A 28 TYR CD2 . 19450 1 293 . 1 1 28 28 TYR N N 15 114.431 0.000 . 1 . . . A 28 TYR N . 19450 1 294 . 1 1 29 29 CYS H H 1 8.466 0.001 . 1 . . . A 29 CYS H . 19450 1 295 . 1 1 29 29 CYS HA H 1 6.006 0.006 . 1 . . . A 29 CYS HA . 19450 1 296 . 1 1 29 29 CYS HB2 H 1 3.000 0.005 . 2 . . . A 29 CYS HB2 . 19450 1 297 . 1 1 29 29 CYS HB3 H 1 3.563 0.005 . 2 . . . A 29 CYS HB3 . 19450 1 298 . 1 1 29 29 CYS CA C 13 51.384 0.016 . 1 . . . A 29 CYS CA . 19450 1 299 . 1 1 29 29 CYS CB C 13 37.055 0.013 . 1 . . . A 29 CYS CB . 19450 1 300 . 1 1 29 29 CYS N N 15 119.776 0.000 . 1 . . . A 29 CYS N . 19450 1 301 . 1 1 30 30 LYS H H 1 8.872 0.001 . 1 . . . A 30 LYS H . 19450 1 302 . 1 1 30 30 LYS HA H 1 3.594 0.009 . 1 . . . A 30 LYS HA . 19450 1 303 . 1 1 30 30 LYS HB2 H 1 1.510 0.000 . 2 . . . A 30 LYS HB2 . 19450 1 304 . 1 1 30 30 LYS HB3 H 1 1.681 0.000 . 2 . . . A 30 LYS HB3 . 19450 1 305 . 1 1 30 30 LYS HG2 H 1 1.484 0.000 . 2 . . . A 30 LYS HG2 . 19450 1 306 . 1 1 30 30 LYS HG3 H 1 1.279 0.000 . 2 . . . A 30 LYS HG3 . 19450 1 307 . 1 1 30 30 LYS HD2 H 1 1.702 0.000 . 1 . . . A 30 LYS HD2 . 19450 1 308 . 1 1 30 30 LYS CA C 13 61.244 0.013 . 1 . . . A 30 LYS CA . 19450 1 309 . 1 1 30 30 LYS CB C 13 34.240 0.002 . 1 . . . A 30 LYS CB . 19450 1 310 . 1 1 30 30 LYS CG C 13 26.876 0.002 . 1 . . . A 30 LYS CG . 19450 1 311 . 1 1 30 30 LYS CD C 13 29.809 0.000 . 1 . . . A 30 LYS CD . 19450 1 312 . 1 1 30 30 LYS CE C 13 41.981 0.000 . 1 . . . A 30 LYS CE . 19450 1 313 . 1 1 30 30 LYS N N 15 119.011 0.000 . 1 . . . A 30 LYS N . 19450 1 314 . 1 1 31 31 LYS H H 1 7.183 0.005 . 1 . . . A 31 LYS H . 19450 1 315 . 1 1 31 31 LYS HA H 1 4.028 0.006 . 1 . . . A 31 LYS HA . 19450 1 316 . 1 1 31 31 LYS HB2 H 1 1.305 0.000 . 2 . . . A 31 LYS HB2 . 19450 1 317 . 1 1 31 31 LYS HB3 H 1 1.836 0.005 . 2 . . . A 31 LYS HB3 . 19450 1 318 . 1 1 31 31 LYS HG2 H 1 1.308 0.003 . 1 . . . A 31 LYS HG2 . 19450 1 319 . 1 1 31 31 LYS HD2 H 1 1.635 0.000 . 2 . . . A 31 LYS HD2 . 19450 1 320 . 1 1 31 31 LYS HD3 H 1 1.694 0.000 . 2 . . . A 31 LYS HD3 . 19450 1 321 . 1 1 31 31 LYS CA C 13 58.969 0.000 . 1 . . . A 31 LYS CA . 19450 1 322 . 1 1 31 31 LYS CB C 13 32.325 0.013 . 1 . . . A 31 LYS CB . 19450 1 323 . 1 1 31 31 LYS CG C 13 25.030 0.000 . 1 . . . A 31 LYS CG . 19450 1 324 . 1 1 31 31 LYS CD C 13 29.582 0.000 . 1 . . . A 31 LYS CD . 19450 1 325 . 1 1 31 31 LYS CE C 13 41.870 0.000 . 1 . . . A 31 LYS CE . 19450 1 326 . 1 1 31 31 LYS N N 15 117.963 0.000 . 1 . . . A 31 LYS N . 19450 1 327 . 1 1 32 32 ALA H H 1 11.370 0.001 . 1 . . . A 32 ALA H . 19450 1 328 . 1 1 32 32 ALA HA H 1 4.114 0.007 . 1 . . . A 32 ALA HA . 19450 1 329 . 1 1 32 32 ALA HB1 H 1 1.469 0.003 . 1 . . . A 32 ALA HB1 . 19450 1 330 . 1 1 32 32 ALA HB2 H 1 1.469 0.003 . 1 . . . A 32 ALA HB2 . 19450 1 331 . 1 1 32 32 ALA HB3 H 1 1.469 0.003 . 1 . . . A 32 ALA HB3 . 19450 1 332 . 1 1 32 32 ALA CA C 13 55.145 0.000 . 1 . . . A 32 ALA CA . 19450 1 333 . 1 1 32 32 ALA CB C 13 18.092 0.000 . 1 . . . A 32 ALA CB . 19450 1 334 . 1 1 32 32 ALA N N 15 129.495 0.000 . 1 . . . A 32 ALA N . 19450 1 335 . 1 1 33 33 CYS H H 1 7.904 0.001 . 1 . . . A 33 CYS H . 19450 1 336 . 1 1 33 33 CYS HA H 1 4.895 0.002 . 1 . . . A 33 CYS HA . 19450 1 337 . 1 1 33 33 CYS HB2 H 1 2.605 0.003 . 2 . . . A 33 CYS HB2 . 19450 1 338 . 1 1 33 33 CYS HB3 H 1 3.434 0.002 . 2 . . . A 33 CYS HB3 . 19450 1 339 . 1 1 33 33 CYS CA C 13 54.274 0.000 . 1 . . . A 33 CYS CA . 19450 1 340 . 1 1 33 33 CYS CB C 13 37.793 0.001 . 1 . . . A 33 CYS CB . 19450 1 341 . 1 1 33 33 CYS N N 15 109.017 0.000 . 1 . . . A 33 CYS N . 19450 1 342 . 1 1 34 34 GLY H H 1 8.130 0.004 . 1 . . . A 34 GLY H . 19450 1 343 . 1 1 34 34 GLY HA2 H 1 4.075 0.007 . 1 . . . A 34 GLY HA2 . 19450 1 344 . 1 1 34 34 GLY CA C 13 47.128 0.017 . 1 . . . A 34 GLY CA . 19450 1 345 . 1 1 34 34 GLY N N 15 110.854 0.019 . 1 . . . A 34 GLY N . 19450 1 346 . 1 1 35 35 LEU H H 1 8.601 0.002 . 1 . . . A 35 LEU H . 19450 1 347 . 1 1 35 35 LEU HA H 1 4.498 0.006 . 1 . . . A 35 LEU HA . 19450 1 348 . 1 1 35 35 LEU HB2 H 1 1.785 0.002 . 2 . . . A 35 LEU HB2 . 19450 1 349 . 1 1 35 35 LEU HB3 H 1 1.659 0.002 . 2 . . . A 35 LEU HB3 . 19450 1 350 . 1 1 35 35 LEU HG H 1 1.379 0.002 . 1 . . . A 35 LEU HG . 19450 1 351 . 1 1 35 35 LEU HD11 H 1 0.829 0.002 . 2 . . . A 35 LEU HD11 . 19450 1 352 . 1 1 35 35 LEU HD12 H 1 0.829 0.002 . 2 . . . A 35 LEU HD12 . 19450 1 353 . 1 1 35 35 LEU HD13 H 1 0.829 0.002 . 2 . . . A 35 LEU HD13 . 19450 1 354 . 1 1 35 35 LEU HD21 H 1 0.951 0.003 . 2 . . . A 35 LEU HD21 . 19450 1 355 . 1 1 35 35 LEU HD22 H 1 0.951 0.003 . 2 . . . A 35 LEU HD22 . 19450 1 356 . 1 1 35 35 LEU HD23 H 1 0.951 0.003 . 2 . . . A 35 LEU HD23 . 19450 1 357 . 1 1 35 35 LEU CA C 13 54.259 0.025 . 1 . . . A 35 LEU CA . 19450 1 358 . 1 1 35 35 LEU CB C 13 41.868 0.008 . 1 . . . A 35 LEU CB . 19450 1 359 . 1 1 35 35 LEU CG C 13 26.805 0.000 . 1 . . . A 35 LEU CG . 19450 1 360 . 1 1 35 35 LEU CD1 C 13 22.047 0.000 . 2 . . . A 35 LEU CD1 . 19450 1 361 . 1 1 35 35 LEU CD2 C 13 26.108 0.000 . 2 . . . A 35 LEU CD2 . 19450 1 362 . 1 1 35 35 LEU N N 15 118.448 0.000 . 1 . . . A 35 LEU N . 19450 1 363 . 1 1 36 36 CYS H H 1 8.217 0.001 . 1 . . . A 36 CYS H . 19450 1 364 . 1 1 36 36 CYS HA H 1 4.548 0.008 . 1 . . . A 36 CYS HA . 19450 1 365 . 1 1 36 36 CYS HB2 H 1 3.124 0.005 . 2 . . . A 36 CYS HB2 . 19450 1 366 . 1 1 36 36 CYS HB3 H 1 3.275 0.002 . 2 . . . A 36 CYS HB3 . 19450 1 367 . 1 1 36 36 CYS CA C 13 54.051 0.000 . 1 . . . A 36 CYS CA . 19450 1 368 . 1 1 36 36 CYS CB C 13 39.326 0.003 . 1 . . . A 36 CYS CB . 19450 1 369 . 1 1 36 36 CYS N N 15 117.853 0.000 . 1 . . . A 36 CYS N . 19450 1 370 . 1 1 37 37 NH2 HN1 H 1 7.292 0.002 . 1 . . . A 37 Nh3 H . 19450 1 371 . 1 1 37 37 NH2 HN2 H 1 7.614 0.000 . 1 . . . A 37 Nh3 H' . 19450 1 372 . 1 1 37 37 NH2 N N 15 107.523 0.003 . 1 . . . A 37 Nh3 N . 19450 1 stop_ save_