###################################
# 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 34619
_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-15N HSQC' . . . 34619 1
2 '2D 1H-1H TOCSY' . . . 34619 1
3 '2D 1H-1H TOCSY' . . . 34619 1
4 '2D 1H-1H NOESY' . . . 34619 1
5 '2D 1H-1H NOESY' . . . 34619 1
6 '2D 1H-1H COSY' . . . 34619 1
7 '2D 1H-13C HMQC' . . . 34619 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 ALA CB C 13 19.3 0.1 . 1 . . . . A 2 ALA CB . 34619 1
2 . 1 . 1 2 2 CYS HA H 1 4.858 0.01 . 1 . . . . A 3 CYS HA . 34619 1
3 . 1 . 1 2 2 CYS HB2 H 1 3.278 0.01 . 2 . . . . A 3 CYS HB2 . 34619 1
4 . 1 . 1 2 2 CYS HB3 H 1 2.958 0.01 . 2 . . . . A 3 CYS HB3 . 34619 1
5 . 1 . 1 2 2 CYS CA C 13 54.8 0.1 . 1 . . . . A 3 CYS CA . 34619 1
6 . 1 . 1 2 2 CYS CB C 13 36 0.1 . 1 . . . . A 3 CYS CB . 34619 1
7 . 1 . 1 3 3 LYS H H 1 8.238 0.01 . 1 . . . . A 4 LYS H . 34619 1
8 . 1 . 1 3 3 LYS HA H 1 4.578 0.01 . 1 . . . . A 4 LYS HA . 34619 1
9 . 1 . 1 3 3 LYS HB2 H 1 1.698 0.01 . 2 . . . . A 4 LYS HB2 . 34619 1
10 . 1 . 1 3 3 LYS HB3 H 1 1.828 0.01 . 2 . . . . A 4 LYS HB3 . 34619 1
11 . 1 . 1 3 3 LYS HG3 H 1 1.398 0.01 . 2 . . . . A 4 LYS HG3 . 34619 1
12 . 1 . 1 3 3 LYS HD3 H 1 1.098 0.01 . 2 . . . . A 4 LYS HD3 . 34619 1
13 . 1 . 1 3 3 LYS HE3 H 1 2.998 0.01 . 2 . . . . A 4 LYS HE3 . 34619 1
14 . 1 . 1 3 3 LYS CA C 13 54.8 0.1 . 1 . . . . A 4 LYS CA . 34619 1
15 . 1 . 1 3 3 LYS CB C 13 35.5 0.1 . 1 . . . . A 4 LYS CB . 34619 1
16 . 1 . 1 3 3 LYS N N 15 125.2 0.1 . 1 . . . . A 4 LYS N . 34619 1
17 . 1 . 1 4 4 ASP H H 1 8.648 0.01 . 1 . . . . A 5 ASP H . 34619 1
18 . 1 . 1 4 4 ASP HA H 1 4.928 0.01 . 1 . . . . A 5 ASP HA . 34619 1
19 . 1 . 1 4 4 ASP HB2 H 1 3.228 0.01 . 2 . . . . A 5 ASP HB2 . 34619 1
20 . 1 . 1 4 4 ASP HB3 H 1 2.738 0.01 . 2 . . . . A 5 ASP HB3 . 34619 1
21 . 1 . 1 4 4 ASP CA C 13 54.4 0.1 . 1 . . . . A 5 ASP CA . 34619 1
22 . 1 . 1 4 4 ASP N N 15 121.1 0.1 . 1 . . . . A 5 ASP N . 34619 1
23 . 1 . 1 5 5 TYR H H 1 8.708 0.01 . 1 . . . . A 6 TYR H . 34619 1
24 . 1 . 1 5 5 TYR HA H 1 4.798 0.01 . 1 . . . . A 6 TYR HA . 34619 1
25 . 1 . 1 5 5 TYR HB2 H 1 3.398 0.01 . 2 . . . . A 6 TYR HB2 . 34619 1
26 . 1 . 1 5 5 TYR HB3 H 1 3.118 0.01 . 2 . . . . A 6 TYR HB3 . 34619 1
27 . 1 . 1 5 5 TYR HD2 H 1 7.238 0.01 . 3 . . . . A 6 TYR HD2 . 34619 1
28 . 1 . 1 5 5 TYR HE2 H 1 6.918 0.01 . 3 . . . . A 6 TYR HE2 . 34619 1
29 . 1 . 1 5 5 TYR CA C 13 57.7 0.1 . 1 . . . . A 6 TYR CA . 34619 1
30 . 1 . 1 5 5 TYR N N 15 121.5 0.1 . 1 . . . . A 6 TYR N . 34619 1
31 . 1 . 1 6 6 LEU H H 1 7.138 0.01 . 1 . . . . A 7 LEU H . 34619 1
32 . 1 . 1 6 6 LEU HA H 1 4.758 0.01 . 1 . . . . A 7 LEU HA . 34619 1
33 . 1 . 1 6 6 LEU HB2 H 1 1.588 0.01 . 2 . . . . A 7 LEU HB2 . 34619 1
34 . 1 . 1 6 6 LEU HB3 H 1 1.758 0.01 . 2 . . . . A 7 LEU HB3 . 34619 1
35 . 1 . 1 6 6 LEU HG H 1 1.508 0.01 . 1 . . . . A 7 LEU HG . 34619 1
36 . 1 . 1 6 6 LEU HD11 H 1 0.968 0.01 . 2 . . . . A 7 LEU HD11 . 34619 1
37 . 1 . 1 6 6 LEU HD12 H 1 0.968 0.01 . 2 . . . . A 7 LEU HD12 . 34619 1
38 . 1 . 1 6 6 LEU HD13 H 1 0.968 0.01 . 2 . . . . A 7 LEU HD13 . 34619 1
39 . 1 . 1 6 6 LEU HD21 H 1 0.928 0.01 . 2 . . . . A 7 LEU HD21 . 34619 1
40 . 1 . 1 6 6 LEU HD22 H 1 0.928 0.01 . 2 . . . . A 7 LEU HD22 . 34619 1
41 . 1 . 1 6 6 LEU HD23 H 1 0.928 0.01 . 2 . . . . A 7 LEU HD23 . 34619 1
42 . 1 . 1 6 6 LEU CA C 13 51.8 0.1 . 1 . . . . A 7 LEU CA . 34619 1
43 . 1 . 1 6 6 LEU N N 15 118.7 0.1 . 1 . . . . A 7 LEU N . 34619 1
44 . 1 . 1 7 7 PRO HA H 1 4.508 0.01 . 1 . . . . A 8 PRO HA . 34619 1
45 . 1 . 1 7 7 PRO HB2 H 1 2.028 0.01 . 2 . . . . A 8 PRO HB2 . 34619 1
46 . 1 . 1 7 7 PRO HB3 H 1 2.518 0.01 . 2 . . . . A 8 PRO HB3 . 34619 1
47 . 1 . 1 7 7 PRO HG2 H 1 2.078 0.01 . 2 . . . . A 8 PRO HG2 . 34619 1
48 . 1 . 1 7 7 PRO HG3 H 1 2.078 0.01 . 2 . . . . A 8 PRO HG3 . 34619 1
49 . 1 . 1 7 7 PRO HD2 H 1 3.458 0.01 . 2 . . . . A 8 PRO HD2 . 34619 1
50 . 1 . 1 7 7 PRO HD3 H 1 3.758 0.01 . 2 . . . . A 8 PRO HD3 . 34619 1
51 . 1 . 1 7 7 PRO CA C 13 60.7 0.1 . 1 . . . . A 8 PRO CA . 34619 1
52 . 1 . 1 8 8 LYS H H 1 8.478 0.01 . 1 . . . . A 9 LYS H . 34619 1
53 . 1 . 1 8 8 LYS HA H 1 4.128 0.01 . 1 . . . . A 9 LYS HA . 34619 1
54 . 1 . 1 8 8 LYS HB2 H 1 1.868 0.01 . 2 . . . . A 9 LYS HB2 . 34619 1
55 . 1 . 1 8 8 LYS HB3 H 1 1.948 0.01 . 2 . . . . A 9 LYS HB3 . 34619 1
56 . 1 . 1 8 8 LYS HG3 H 1 1.748 0.01 . 2 . . . . A 9 LYS HG3 . 34619 1
57 . 1 . 1 8 8 LYS HD3 H 1 1.558 0.01 . 2 . . . . A 9 LYS HD3 . 34619 1
58 . 1 . 1 8 8 LYS HE3 H 1 3.358 0.01 . 2 . . . . A 9 LYS HE3 . 34619 1
59 . 1 . 1 8 8 LYS CA C 13 58.5 0.1 . 1 . . . . A 9 LYS CA . 34619 1
60 . 1 . 1 8 8 LYS N N 15 122.6 0.1 . 1 . . . . A 9 LYS N . 34619 1
61 . 1 . 1 9 9 SER H H 1 8.138 0.01 . 1 . . . . A 10 SER H . 34619 1
62 . 1 . 1 9 9 SER HA H 1 4.068 0.01 . 1 . . . . A 10 SER HA . 34619 1
63 . 1 . 1 9 9 SER HB2 H 1 3.898 0.01 . 2 . . . . A 10 SER HB2 . 34619 1
64 . 1 . 1 9 9 SER HB3 H 1 3.968 0.01 . 2 . . . . A 10 SER HB3 . 34619 1
65 . 1 . 1 9 9 SER CA C 13 60.2 0.1 . 1 . . . . A 10 SER CA . 34619 1
66 . 1 . 1 9 9 SER CB C 13 62.1 0.1 . 1 . . . . A 10 SER CB . 34619 1
67 . 1 . 1 9 9 SER N N 15 110.9 0.1 . 1 . . . . A 10 SER N . 34619 1
68 . 1 . 1 10 10 GLU H H 1 7.798 0.01 . 1 . . . . A 11 GLU H . 34619 1
69 . 1 . 1 10 10 GLU HA H 1 4.438 0.01 . 1 . . . . A 11 GLU HA . 34619 1
70 . 1 . 1 10 10 GLU HB2 H 1 2.278 0.01 . 2 . . . . A 11 GLU HB2 . 34619 1
71 . 1 . 1 10 10 GLU HB3 H 1 2.128 0.01 . 2 . . . . A 11 GLU HB3 . 34619 1
72 . 1 . 1 10 10 GLU HG2 H 1 2.478 0.01 . 2 . . . . A 11 GLU HG2 . 34619 1
73 . 1 . 1 10 10 GLU HG3 H 1 2.388 0.01 . 2 . . . . A 11 GLU HG3 . 34619 1
74 . 1 . 1 10 10 GLU CA C 13 55.8 0.1 . 1 . . . . A 11 GLU CA . 34619 1
75 . 1 . 1 10 10 GLU N N 15 117.8 0.1 . 1 . . . . A 11 GLU N . 34619 1
76 . 1 . 1 11 11 CYS H H 1 7.628 0.01 . 1 . . . . A 12 CYS H . 34619 1
77 . 1 . 1 11 11 CYS HA H 1 5.138 0.01 . 1 . . . . A 12 CYS HA . 34619 1
78 . 1 . 1 11 11 CYS HB2 H 1 2.828 0.01 . 2 . . . . A 12 CYS HB2 . 34619 1
79 . 1 . 1 11 11 CYS HB3 H 1 2.888 0.01 . 2 . . . . A 12 CYS HB3 . 34619 1
80 . 1 . 1 11 11 CYS CA C 13 52.3 0.1 . 1 . . . . A 12 CYS CA . 34619 1
81 . 1 . 1 11 11 CYS N N 15 119.9 0.1 . 1 . . . . A 12 CYS N . 34619 1
82 . 1 . 1 12 12 THR H H 1 6.948 0.01 . 1 . . . . A 13 THR H . 34619 1
83 . 1 . 1 12 12 THR HA H 1 4.568 0.01 . 1 . . . . A 13 THR HA . 34619 1
84 . 1 . 1 12 12 THR HB H 1 4.648 0.01 . 1 . . . . A 13 THR HB . 34619 1
85 . 1 . 1 12 12 THR HG21 H 1 1.218 0.01 . 1 . . . . A 13 THR HG21 . 34619 1
86 . 1 . 1 12 12 THR HG22 H 1 1.218 0.01 . 1 . . . . A 13 THR HG22 . 34619 1
87 . 1 . 1 12 12 THR HG23 H 1 1.218 0.01 . 1 . . . . A 13 THR HG23 . 34619 1
88 . 1 . 1 12 12 THR CA C 13 59.6 0.1 . 1 . . . . A 13 THR CA . 34619 1
89 . 1 . 1 12 12 THR CB C 13 70.9 0.1 . 1 . . . . A 13 THR CB . 34619 1
90 . 1 . 1 12 12 THR N N 15 110.1 0.1 . 1 . . . . A 13 THR N . 34619 1
91 . 1 . 1 13 13 GLN H H 1 8.968 0.01 . 1 . . . . A 14 GLN H . 34619 1
92 . 1 . 1 13 13 GLN HA H 1 3.858 0.01 . 1 . . . . A 14 GLN HA . 34619 1
93 . 1 . 1 13 13 GLN HB2 H 1 2.168 0.01 . 2 . . . . A 14 GLN HB2 . 34619 1
94 . 1 . 1 13 13 GLN HB3 H 1 2.038 0.01 . 2 . . . . A 14 GLN HB3 . 34619 1
95 . 1 . 1 13 13 GLN HG3 H 1 2.488 0.01 . 2 . . . . A 14 GLN HG3 . 34619 1
96 . 1 . 1 13 13 GLN HE21 H 1 7.668 0.01 . 2 . . . . A 14 GLN HE21 . 34619 1
97 . 1 . 1 13 13 GLN HE22 H 1 6.748 0.01 . 2 . . . . A 14 GLN HE22 . 34619 1
98 . 1 . 1 13 13 GLN CA C 13 59 0.1 . 1 . . . . A 14 GLN CA . 34619 1
99 . 1 . 1 13 13 GLN N N 15 120.6 0.1 . 1 . . . . A 14 GLN N . 34619 1
100 . 1 . 1 14 14 PHE H H 1 8.408 0.01 . 1 . . . . A 15 PHE H . 34619 1
101 . 1 . 1 14 14 PHE HA H 1 4.178 0.01 . 1 . . . . A 15 PHE HA . 34619 1
102 . 1 . 1 14 14 PHE HB2 H 1 3.298 0.01 . 2 . . . . A 15 PHE HB2 . 34619 1
103 . 1 . 1 14 14 PHE HB3 H 1 2.818 0.01 . 2 . . . . A 15 PHE HB3 . 34619 1
104 . 1 . 1 14 14 PHE HD2 H 1 7.128 0.01 . 3 . . . . A 15 PHE HD2 . 34619 1
105 . 1 . 1 14 14 PHE HE2 H 1 7.338 0.01 . 3 . . . . A 15 PHE HE2 . 34619 1
106 . 1 . 1 14 14 PHE HZ H 1 7.338 0.01 . 1 . . . . A 15 PHE HZ . 34619 1
107 . 1 . 1 14 14 PHE CA C 13 61.3 0.1 . 1 . . . . A 15 PHE CA . 34619 1
108 . 1 . 1 14 14 PHE N N 15 118.2 0.1 . 1 . . . . A 15 PHE N . 34619 1
109 . 1 . 1 15 15 ARG H H 1 7.588 0.01 . 1 . . . . A 16 ARG H . 34619 1
110 . 1 . 1 15 15 ARG HA H 1 3.658 0.01 . 1 . . . . A 16 ARG HA . 34619 1
111 . 1 . 1 15 15 ARG HB2 H 1 1.638 0.01 . 2 . . . . A 16 ARG HB2 . 34619 1
112 . 1 . 1 15 15 ARG HB3 H 1 1.858 0.01 . 2 . . . . A 16 ARG HB3 . 34619 1
113 . 1 . 1 15 15 ARG HG2 H 1 1.278 0.01 . 2 . . . . A 16 ARG HG2 . 34619 1
114 . 1 . 1 15 15 ARG HG3 H 1 1.358 0.01 . 2 . . . . A 16 ARG HG3 . 34619 1
115 . 1 . 1 15 15 ARG HD2 H 1 2.048 0.01 . 2 . . . . A 16 ARG HD2 . 34619 1
116 . 1 . 1 15 15 ARG HD3 H 1 2.568 0.01 . 2 . . . . A 16 ARG HD3 . 34619 1
117 . 1 . 1 15 15 ARG CA C 13 59.2 0.1 . 1 . . . . A 16 ARG CA . 34619 1
118 . 1 . 1 15 15 ARG N N 15 120.5 0.1 . 1 . . . . A 16 ARG N . 34619 1
119 . 1 . 1 16 16 CYS H H 1 8.108 0.01 . 1 . . . . A 17 CYS H . 34619 1
120 . 1 . 1 16 16 CYS HA H 1 4.188 0.01 . 1 . . . . A 17 CYS HA . 34619 1
121 . 1 . 1 16 16 CYS HB2 H 1 3.018 0.01 . 2 . . . . A 17 CYS HB2 . 34619 1
122 . 1 . 1 16 16 CYS HB3 H 1 3.198 0.01 . 2 . . . . A 17 CYS HB3 . 34619 1
123 . 1 . 1 16 16 CYS CA C 13 56.3 0.1 . 1 . . . . A 17 CYS CA . 34619 1
124 . 1 . 1 16 16 CYS N N 15 115.3 0.1 . 1 . . . . A 17 CYS N . 34619 1
125 . 1 . 1 17 17 ARG H H 1 7.488 0.01 . 1 . . . . A 18 ARG H . 34619 1
126 . 1 . 1 17 17 ARG HA H 1 4.218 0.01 . 1 . . . . A 18 ARG HA . 34619 1
127 . 1 . 1 17 17 ARG HB2 H 1 1.728 0.01 . 2 . . . . A 18 ARG HB2 . 34619 1
128 . 1 . 1 17 17 ARG HB3 H 1 1.848 0.01 . 2 . . . . A 18 ARG HB3 . 34619 1
129 . 1 . 1 17 17 ARG HG3 H 1 1.628 0.01 . 2 . . . . A 18 ARG HG3 . 34619 1
130 . 1 . 1 17 17 ARG HD3 H 1 3.188 0.01 . 2 . . . . A 18 ARG HD3 . 34619 1
131 . 1 . 1 17 17 ARG HE H 1 7.308 0.01 . 1 . . . . A 18 ARG HE . 34619 1
132 . 1 . 1 17 17 ARG CA C 13 57.5 0.1 . 1 . . . . A 18 ARG CA . 34619 1
133 . 1 . 1 17 17 ARG N N 15 113 0.1 . 1 . . . . A 18 ARG N . 34619 1
134 . 1 . 1 18 18 THR H H 1 7.318 0.01 . 1 . . . . A 19 THR H . 34619 1
135 . 1 . 1 18 18 THR HA H 1 4.368 0.01 . 1 . . . . A 19 THR HA . 34619 1
136 . 1 . 1 18 18 THR HB H 1 4.068 0.01 . 1 . . . . A 19 THR HB . 34619 1
137 . 1 . 1 18 18 THR HG21 H 1 0.828 0.01 . 1 . . . . A 19 THR HG21 . 34619 1
138 . 1 . 1 18 18 THR HG22 H 1 0.828 0.01 . 1 . . . . A 19 THR HG22 . 34619 1
139 . 1 . 1 18 18 THR HG23 H 1 0.828 0.01 . 1 . . . . A 19 THR HG23 . 34619 1
140 . 1 . 1 18 18 THR CA C 13 62.4 0.1 . 1 . . . . A 19 THR CA . 34619 1
141 . 1 . 1 18 18 THR CB C 13 71.3 0.1 . 1 . . . . A 19 THR CB . 34619 1
142 . 1 . 1 18 18 THR N N 15 106 0.1 . 1 . . . . A 19 THR N . 34619 1
143 . 1 . 1 19 19 SER H H 1 7.988 0.01 . 1 . . . . A 20 SER H . 34619 1
144 . 1 . 1 19 19 SER HA H 1 5.098 0.01 . 1 . . . . A 20 SER HA . 34619 1
145 . 1 . 1 19 19 SER HB2 H 1 4.058 0.01 . 2 . . . . A 20 SER HB2 . 34619 1
146 . 1 . 1 19 19 SER HB3 H 1 3.988 0.01 . 2 . . . . A 20 SER HB3 . 34619 1
147 . 1 . 1 19 19 SER CA C 13 56.1 0.1 . 1 . . . . A 20 SER CA . 34619 1
148 . 1 . 1 19 19 SER N N 15 116.8 0.1 . 1 . . . . A 20 SER N . 34619 1
149 . 1 . 1 20 20 MET HA H 1 4.498 0.01 . 1 . . . . A 21 MET HA . 34619 1
150 . 1 . 1 20 20 MET HB2 H 1 2.258 0.01 . 2 . . . . A 21 MET HB2 . 34619 1
151 . 1 . 1 20 20 MET HB3 H 1 2.308 0.01 . 2 . . . . A 21 MET HB3 . 34619 1
152 . 1 . 1 20 20 MET HG2 H 1 2.978 0.01 . 2 . . . . A 21 MET HG2 . 34619 1
153 . 1 . 1 20 20 MET HG3 H 1 2.778 0.01 . 2 . . . . A 21 MET HG3 . 34619 1
154 . 1 . 1 20 20 MET HE1 H 1 2.058 0.01 . 1 . . . . A 21 MET HE1 . 34619 1
155 . 1 . 1 20 20 MET HE2 H 1 2.058 0.01 . 1 . . . . A 21 MET HE2 . 34619 1
156 . 1 . 1 20 20 MET HE3 H 1 2.058 0.01 . 1 . . . . A 21 MET HE3 . 34619 1
157 . 1 . 1 20 20 MET CA C 13 58.2 0.1 . 1 . . . . A 21 MET CA . 34619 1
158 . 1 . 1 21 21 LYS H H 1 8.428 0.01 . 1 . . . . A 22 LYS H . 34619 1
159 . 1 . 1 21 21 LYS HA H 1 4.298 0.01 . 1 . . . . A 22 LYS HA . 34619 1
160 . 1 . 1 21 21 LYS HB2 H 1 1.708 0.01 . 2 . . . . A 22 LYS HB2 . 34619 1
161 . 1 . 1 21 21 LYS HB3 H 1 1.108 0.01 . 2 . . . . A 22 LYS HB3 . 34619 1
162 . 1 . 1 21 21 LYS HG3 H 1 1.628 0.01 . 2 . . . . A 22 LYS HG3 . 34619 1
163 . 1 . 1 21 21 LYS HD3 H 1 1.368 0.01 . 2 . . . . A 22 LYS HD3 . 34619 1
164 . 1 . 1 21 21 LYS HE3 H 1 2.978 0.01 . 2 . . . . A 22 LYS HE3 . 34619 1
165 . 1 . 1 21 21 LYS CA C 13 56.9 0.1 . 1 . . . . A 22 LYS CA . 34619 1
166 . 1 . 1 22 22 TYR H H 1 7.978 0.01 . 1 . . . . A 23 TYR H . 34619 1
167 . 1 . 1 22 22 TYR HA H 1 3.968 0.01 . 1 . . . . A 23 TYR HA . 34619 1
168 . 1 . 1 22 22 TYR HB2 H 1 2.718 0.01 . 2 . . . . A 23 TYR HB2 . 34619 1
169 . 1 . 1 22 22 TYR HB3 H 1 3.058 0.01 . 2 . . . . A 23 TYR HB3 . 34619 1
170 . 1 . 1 22 22 TYR HD2 H 1 7.518 0.01 . 3 . . . . A 23 TYR HD2 . 34619 1
171 . 1 . 1 22 22 TYR HE2 H 1 6.918 0.01 . 3 . . . . A 23 TYR HE2 . 34619 1
172 . 1 . 1 22 22 TYR CA C 13 63.4 0.1 . 1 . . . . A 23 TYR CA . 34619 1
173 . 1 . 1 22 22 TYR N N 15 119.8 0.1 . 1 . . . . A 23 TYR N . 34619 1
174 . 1 . 1 23 23 LYS H H 1 8.118 0.01 . 1 . . . . A 24 LYS H . 34619 1
175 . 1 . 1 23 23 LYS HA H 1 3.968 0.01 . 1 . . . . A 24 LYS HA . 34619 1
176 . 1 . 1 23 23 LYS HB2 H 1 1.618 0.01 . 2 . . . . A 24 LYS HB2 . 34619 1
177 . 1 . 1 23 23 LYS HB3 H 1 2.278 0.01 . 2 . . . . A 24 LYS HB3 . 34619 1
178 . 1 . 1 23 23 LYS HG2 H 1 0.278 0.01 . 2 . . . . A 24 LYS HG2 . 34619 1
179 . 1 . 1 23 23 LYS HG3 H 1 0.838 0.01 . 2 . . . . A 24 LYS HG3 . 34619 1
180 . 1 . 1 23 23 LYS HD2 H 1 1.698 0.01 . 2 . . . . A 24 LYS HD2 . 34619 1
181 . 1 . 1 23 23 LYS HD3 H 1 1.438 0.01 . 2 . . . . A 24 LYS HD3 . 34619 1
182 . 1 . 1 23 23 LYS HE3 H 1 2.708 0.01 . 2 . . . . A 24 LYS HE3 . 34619 1
183 . 1 . 1 23 23 LYS CA C 13 63 0.1 . 1 . . . . A 24 LYS CA . 34619 1
184 . 1 . 1 23 23 LYS N N 15 117.6 0.1 . 1 . . . . A 24 LYS N . 34619 1
185 . 1 . 1 24 24 TYR H H 1 8.078 0.01 . 1 . . . . A 25 TYR H . 34619 1
186 . 1 . 1 24 24 TYR HA H 1 4.568 0.01 . 1 . . . . A 25 TYR HA . 34619 1
187 . 1 . 1 24 24 TYR HB2 H 1 2.928 0.01 . 2 . . . . A 25 TYR HB2 . 34619 1
188 . 1 . 1 24 24 TYR HB3 H 1 3.298 0.01 . 2 . . . . A 25 TYR HB3 . 34619 1
189 . 1 . 1 24 24 TYR HD2 H 1 7.398 0.01 . 3 . . . . A 25 TYR HD2 . 34619 1
190 . 1 . 1 24 24 TYR HE2 H 1 6.998 0.01 . 3 . . . . A 25 TYR HE2 . 34619 1
191 . 1 . 1 24 24 TYR CA C 13 58.7 0.1 . 1 . . . . A 25 TYR CA . 34619 1
192 . 1 . 1 24 24 TYR N N 15 107.7 0.1 . 1 . . . . A 25 TYR N . 34619 1
193 . 1 . 1 25 25 THR H H 1 7.318 0.01 . 1 . . . . A 26 THR H . 34619 1
194 . 1 . 1 25 25 THR HA H 1 4.638 0.01 . 1 . . . . A 26 THR HA . 34619 1
195 . 1 . 1 25 25 THR HB H 1 4.368 0.01 . 1 . . . . A 26 THR HB . 34619 1
196 . 1 . 1 25 25 THR HG21 H 1 1.198 0.01 . 1 . . . . A 26 THR HG21 . 34619 1
197 . 1 . 1 25 25 THR HG22 H 1 1.198 0.01 . 1 . . . . A 26 THR HG22 . 34619 1
198 . 1 . 1 25 25 THR HG23 H 1 1.198 0.01 . 1 . . . . A 26 THR HG23 . 34619 1
199 . 1 . 1 25 25 THR CA C 13 65 0.1 . 1 . . . . A 26 THR CA . 34619 1
200 . 1 . 1 25 25 THR CB C 13 69.7 0.1 . 1 . . . . A 26 THR CB . 34619 1
201 . 1 . 1 25 25 THR N N 15 113 0.1 . 1 . . . . A 26 THR N . 34619 1
202 . 1 . 1 26 26 ASN H H 1 8.068 0.01 . 1 . . . . A 27 ASN H . 34619 1
203 . 1 . 1 26 26 ASN HA H 1 4.838 0.01 . 1 . . . . A 27 ASN HA . 34619 1
204 . 1 . 1 26 26 ASN HB2 H 1 2.798 0.01 . 2 . . . . A 27 ASN HB2 . 34619 1
205 . 1 . 1 26 26 ASN HB3 H 1 2.408 0.01 . 2 . . . . A 27 ASN HB3 . 34619 1
206 . 1 . 1 26 26 ASN HD21 H 1 7.02 0.01 . 2 . . . . A 27 ASN HD21 . 34619 1
207 . 1 . 1 26 26 ASN CA C 13 56.4 0.1 . 1 . . . . A 27 ASN CA . 34619 1
208 . 1 . 1 26 26 ASN N N 15 116.8 0.1 . 1 . . . . A 27 ASN N . 34619 1
209 . 1 . 1 27 27 CYS H H 1 8.278 0.01 . 1 . . . . A 28 CYS H . 34619 1
210 . 1 . 1 27 27 CYS HA H 1 5.358 0.01 . 1 . . . . A 28 CYS HA . 34619 1
211 . 1 . 1 27 27 CYS HB2 H 1 2.958 0.01 . 2 . . . . A 28 CYS HB2 . 34619 1
212 . 1 . 1 27 27 CYS HB3 H 1 3.138 0.01 . 2 . . . . A 28 CYS HB3 . 34619 1
213 . 1 . 1 27 27 CYS CA C 13 53.2 0.1 . 1 . . . . A 28 CYS CA . 34619 1
214 . 1 . 1 27 27 CYS N N 15 119.6 0.1 . 1 . . . . A 28 CYS N . 34619 1
215 . 1 . 1 28 28 LYS H H 1 8.878 0.01 . 1 . . . . A 29 LYS H . 34619 1
216 . 1 . 1 28 28 LYS HA H 1 3.808 0.01 . 1 . . . . A 29 LYS HA . 34619 1
217 . 1 . 1 28 28 LYS HB2 H 1 1.778 0.01 . 2 . . . . A 29 LYS HB2 . 34619 1
218 . 1 . 1 28 28 LYS HB3 H 1 1.868 0.01 . 2 . . . . A 29 LYS HB3 . 34619 1
219 . 1 . 1 28 28 LYS HG3 H 1 1.608 0.01 . 2 . . . . A 29 LYS HG3 . 34619 1
220 . 1 . 1 28 28 LYS HD3 H 1 1.438 0.01 . 2 . . . . A 29 LYS HD3 . 34619 1
221 . 1 . 1 28 28 LYS HE2 H 1 3.13 0.01 . 2 . . . . A 29 LYS HE2 . 34619 1
222 . 1 . 1 28 28 LYS HE3 H 1 3.058 0.01 . 2 . . . . A 29 LYS HE3 . 34619 1
223 . 1 . 1 28 28 LYS CA C 13 60.1 0.1 . 1 . . . . A 29 LYS CA . 34619 1
224 . 1 . 1 28 28 LYS N N 15 118.9 0.1 . 1 . . . . A 29 LYS N . 34619 1
225 . 1 . 1 29 29 LYS H H 1 7.368 0.01 . 1 . . . . A 30 LYS H . 34619 1
226 . 1 . 1 29 29 LYS HA H 1 4.128 0.01 . 1 . . . . A 30 LYS HA . 34619 1
227 . 1 . 1 29 29 LYS HB3 H 1 1.828 0.01 . 2 . . . . A 30 LYS HB3 . 34619 1
228 . 1 . 1 29 29 LYS HG3 H 1 1.658 0.01 . 2 . . . . A 30 LYS HG3 . 34619 1
229 . 1 . 1 29 29 LYS HD3 H 1 1.358 0.01 . 2 . . . . A 30 LYS HD3 . 34619 1
230 . 1 . 1 29 29 LYS HE3 H 1 2.998 0.01 . 2 . . . . A 30 LYS HE3 . 34619 1
231 . 1 . 1 29 29 LYS CA C 13 59.2 0.1 . 1 . . . . A 30 LYS CA . 34619 1
232 . 1 . 1 29 29 LYS N N 15 116.5 0.1 . 1 . . . . A 30 LYS N . 34619 1
233 . 1 . 1 30 30 THR H H 1 10.498 0.01 . 1 . . . . A 31 THR H . 34619 1
234 . 1 . 1 30 30 THR HA H 1 3.798 0.01 . 1 . . . . A 31 THR HA . 34619 1
235 . 1 . 1 30 30 THR HB H 1 3.988 0.01 . 1 . . . . A 31 THR HB . 34619 1
236 . 1 . 1 30 30 THR HG21 H 1 1.118 0.01 . 1 . . . . A 31 THR HG21 . 34619 1
237 . 1 . 1 30 30 THR HG22 H 1 1.118 0.01 . 1 . . . . A 31 THR HG22 . 34619 1
238 . 1 . 1 30 30 THR HG23 H 1 1.118 0.01 . 1 . . . . A 31 THR HG23 . 34619 1
239 . 1 . 1 30 30 THR CA C 13 68.2 0.1 . 1 . . . . A 31 THR CA . 34619 1
240 . 1 . 1 30 30 THR CB C 13 67.8 0.1 . 1 . . . . A 31 THR CB . 34619 1
241 . 1 . 1 30 30 THR N N 15 123 0.1 . 1 . . . . A 31 THR N . 34619 1
242 . 1 . 1 31 31 CYS H H 1 8.768 0.01 . 1 . . . . A 32 CYS H . 34619 1
243 . 1 . 1 31 31 CYS HA H 1 4.868 0.01 . 1 . . . . A 32 CYS HA . 34619 1
244 . 1 . 1 31 31 CYS HB2 H 1 3.248 0.01 . 2 . . . . A 32 CYS HB2 . 34619 1
245 . 1 . 1 31 31 CYS HB3 H 1 2.958 0.01 . 2 . . . . A 32 CYS HB3 . 34619 1
246 . 1 . 1 31 31 CYS CA C 13 55.1 0.1 . 1 . . . . A 32 CYS CA . 34619 1
247 . 1 . 1 31 31 CYS N N 15 113.3 0.1 . 1 . . . . A 32 CYS N . 34619 1
248 . 1 . 1 32 32 GLY H H 1 7.728 0.01 . 1 . . . . A 33 GLY H . 34619 1
249 . 1 . 1 32 32 GLY HA2 H 1 4.078 0.01 . 2 . . . . A 33 GLY HA2 . 34619 1
250 . 1 . 1 32 32 GLY HA3 H 1 4.248 0.01 . 2 . . . . A 33 GLY HA3 . 34619 1
251 . 1 . 1 32 32 GLY CA C 13 47.1 0.1 . 1 . . . . A 33 GLY CA . 34619 1
252 . 1 . 1 32 32 GLY N N 15 110.2 0.1 . 1 . . . . A 33 GLY N . 34619 1
253 . 1 . 1 33 33 THR H H 1 9.008 0.01 . 1 . . . . A 34 THR H . 34619 1
254 . 1 . 1 33 33 THR HA H 1 4.518 0.01 . 1 . . . . A 34 THR HA . 34619 1
255 . 1 . 1 33 33 THR HB H 1 4.638 0.01 . 1 . . . . A 34 THR HB . 34619 1
256 . 1 . 1 33 33 THR HG21 H 1 0.748 0.01 . 1 . . . . A 34 THR HG21 . 34619 1
257 . 1 . 1 33 33 THR HG22 H 1 0.748 0.01 . 1 . . . . A 34 THR HG22 . 34619 1
258 . 1 . 1 33 33 THR HG23 H 1 0.748 0.01 . 1 . . . . A 34 THR HG23 . 34619 1
259 . 1 . 1 33 33 THR CA C 13 62.4 0.1 . 1 . . . . A 34 THR CA . 34619 1
260 . 1 . 1 33 33 THR CB C 13 67.9 0.1 . 1 . . . . A 34 THR CB . 34619 1
261 . 1 . 1 33 33 THR N N 15 111.5 0.1 . 1 . . . . A 34 THR N . 34619 1
262 . 1 . 1 34 34 CYS H H 1 7.708 0.01 . 1 . . . . A 35 CYS H . 34619 1
263 . 1 . 1 34 34 CYS HA H 1 4.288 0.01 . 1 . . . . A 35 CYS HA . 34619 1
264 . 1 . 1 34 34 CYS HB2 H 1 3.208 0.01 . 2 . . . . A 35 CYS HB2 . 34619 1
265 . 1 . 1 34 34 CYS HB3 H 1 3.208 0.01 . 2 . . . . A 35 CYS HB3 . 34619 1
266 . 1 . 1 34 34 CYS CA C 13 58.9 0.1 . 1 . . . . A 35 CYS CA . 34619 1
267 . 1 . 1 34 34 CYS N N 15 123.5 0.1 . 1 . . . . A 35 CYS N . 34619 1
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