###################################
# 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 19986
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '2D 1H-15N HSQC' . . . 19986 1
3 '2D 1H-13C HSQC' . . . 19986 1
4 '2D 1H-1H TOCSY' . . . 19986 1
5 '2D 1H-1H NOESY' . . . 19986 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 ASN HA H 1 4.324 0.004 . 1 . . . A 1 ASN HA . 19986 1
2 . 1 1 1 1 ASN HB2 H 1 2.946 0.003 . 1 . . . A 1 ASN HB2 . 19986 1
3 . 1 1 1 1 ASN HB3 H 1 2.946 0.003 . 1 . . . A 1 ASN HB3 . 19986 1
4 . 1 1 1 1 ASN HD21 H 1 6.982 0.001 . 1 . . . A 1 ASN HD21 . 19986 1
5 . 1 1 1 1 ASN HD22 H 1 7.663 0.002 . 1 . . . A 1 ASN HD22 . 19986 1
6 . 1 1 1 1 ASN CA C 13 52.801 0.313 . 1 . . . A 1 ASN CA . 19986 1
7 . 1 1 1 1 ASN CB C 13 38.070 0.313 . 1 . . . A 1 ASN CB . 19986 1
8 . 1 1 2 2 ARG H H 1 8.782 0.002 . 1 . . . A 2 ARG H . 19986 1
9 . 1 1 2 2 ARG HA H 1 4.418 0.003 . 1 . . . A 2 ARG HA . 19986 1
10 . 1 1 2 2 ARG HB2 H 1 1.758 0.003 . 2 . . . A 2 ARG HB2 . 19986 1
11 . 1 1 2 2 ARG HB3 H 1 1.867 0.003 . 2 . . . A 2 ARG HB3 . 19986 1
12 . 1 1 2 2 ARG HG2 H 1 1.598 0.003 . 1 . . . A 2 ARG HG2 . 19986 1
13 . 1 1 2 2 ARG HG3 H 1 1.598 0.003 . 1 . . . A 2 ARG HG3 . 19986 1
14 . 1 1 2 2 ARG HD2 H 1 3.117 0.003 . 1 . . . A 2 ARG HD2 . 19986 1
15 . 1 1 2 2 ARG HD3 H 1 3.117 0.003 . 1 . . . A 2 ARG HD3 . 19986 1
16 . 1 1 2 2 ARG HE H 1 7.208 0.002 . 1 . . . A 2 ARG HE . 19986 1
17 . 1 1 2 2 ARG CA C 13 56.449 0.313 . 1 . . . A 2 ARG CA . 19986 1
18 . 1 1 2 2 ARG CB C 13 30.914 0.029 . 1 . . . A 2 ARG CB . 19986 1
19 . 1 1 3 3 SER H H 1 8.448 0.002 . 1 . . . A 3 SER H . 19986 1
20 . 1 1 3 3 SER HA H 1 4.362 0.002 . 1 . . . A 3 SER HA . 19986 1
21 . 1 1 3 3 SER HB2 H 1 3.850 0.002 . 2 . . . A 3 SER HB2 . 19986 1
22 . 1 1 3 3 SER HB3 H 1 3.850 0.002 . 2 . . . A 3 SER HB3 . 19986 1
23 . 1 1 3 3 SER CA C 13 59.152 0.313 . 1 . . . A 3 SER CA . 19986 1
24 . 1 1 3 3 SER CB C 13 63.848 0.313 . 1 . . . A 3 SER CB . 19986 1
25 . 1 1 3 3 SER N N 15 118.047 0.068 . 1 . . . A 3 SER N . 19986 1
26 . 1 1 4 4 GLY H H 1 8.341 0.003 . 1 . . . A 4 GLY H . 19986 1
27 . 1 1 4 4 GLY HA2 H 1 4.009 0.002 . 2 . . . A 4 GLY HA2 . 19986 1
28 . 1 1 4 4 GLY HA3 H 1 3.904 0.005 . 2 . . . A 4 GLY HA3 . 19986 1
29 . 1 1 4 4 GLY CA C 13 45.309 0.313 . 1 . . . A 4 GLY CA . 19986 1
30 . 1 1 4 4 GLY N N 15 111.039 0.068 . 1 . . . A 4 GLY N . 19986 1
31 . 1 1 5 5 ASP H H 1 8.080 0.001 . 1 . . . A 5 ASP H . 19986 1
32 . 1 1 5 5 ASP HA H 1 4.588 0.001 . 1 . . . A 5 ASP HA . 19986 1
33 . 1 1 5 5 ASP HB2 H 1 2.475 0.004 . 1 . . . A 5 ASP HB2 . 19986 1
34 . 1 1 5 5 ASP HB3 H 1 2.475 0.004 . 1 . . . A 5 ASP HB3 . 19986 1
35 . 1 1 5 5 ASP CA C 13 54.538 0.313 . 1 . . . A 5 ASP CA . 19986 1
36 . 1 1 5 5 ASP CB C 13 41.127 0.313 . 1 . . . A 5 ASP CB . 19986 1
37 . 1 1 5 5 ASP N N 15 121.392 0.068 . 1 . . . A 5 ASP N . 19986 1
38 . 1 1 6 6 THR H H 1 7.921 0.002 . 1 . . . A 6 THR H . 19986 1
39 . 1 1 6 6 THR HA H 1 4.461 0.001 . 1 . . . A 6 THR HA . 19986 1
40 . 1 1 6 6 THR HB H 1 3.845 0.002 . 1 . . . A 6 THR HB . 19986 1
41 . 1 1 6 6 THR HG21 H 1 1.000 0.002 . 1 . . . A 6 THR HG21 . 19986 1
42 . 1 1 6 6 THR HG22 H 1 1.000 0.002 . 1 . . . A 6 THR HG22 . 19986 1
43 . 1 1 6 6 THR HG23 H 1 1.000 0.002 . 1 . . . A 6 THR HG23 . 19986 1
44 . 1 1 6 6 THR CA C 13 60.271 0.313 . 1 . . . A 6 THR CA . 19986 1
45 . 1 1 6 6 THR CB C 13 71.123 0.313 . 1 . . . A 6 THR CB . 19986 1
46 . 1 1 6 6 THR N N 15 114.919 0.068 . 1 . . . A 6 THR N . 19986 1
47 . 1 1 7 7 CYS H H 1 8.639 0.002 . 1 . . . A 7 CYS H . 19986 1
48 . 1 1 7 7 CYS HA H 1 4.273 0.005 . 1 . . . A 7 CYS HA . 19986 1
49 . 1 1 7 7 CYS HB2 H 1 2.034 0.004 . 2 . . . A 7 CYS HB2 . 19986 1
50 . 1 1 7 7 CYS HB3 H 1 2.758 0.002 . 2 . . . A 7 CYS HB3 . 19986 1
51 . 1 1 7 7 CYS CA C 13 59.912 0.313 . 1 . . . A 7 CYS CA . 19986 1
52 . 1 1 7 7 CYS CB C 13 30.038 0.007 . 1 . . . A 7 CYS CB . 19986 1
53 . 1 1 7 7 CYS N N 15 128.549 0.068 . 1 . . . A 7 CYS N . 19986 1
54 . 1 1 8 8 PHE H H 1 8.519 0.004 . 1 . . . A 8 PHE H . 19986 1
55 . 1 1 8 8 PHE HA H 1 4.582 0.002 . 1 . . . A 8 PHE HA . 19986 1
56 . 1 1 8 8 PHE HB2 H 1 3.175 0.002 . 2 . . . A 8 PHE HB2 . 19986 1
57 . 1 1 8 8 PHE HB3 H 1 3.343 0.002 . 2 . . . A 8 PHE HB3 . 19986 1
58 . 1 1 8 8 PHE HD1 H 1 7.319 0.001 . 3 . . . A 8 PHE HD1 . 19986 1
59 . 1 1 8 8 PHE HD2 H 1 7.319 0.001 . 3 . . . A 8 PHE HD2 . 19986 1
60 . 1 1 8 8 PHE HE1 H 1 7.394 0.001 . 3 . . . A 8 PHE HE1 . 19986 1
61 . 1 1 8 8 PHE HE2 H 1 7.394 0.001 . 3 . . . A 8 PHE HE2 . 19986 1
62 . 1 1 8 8 PHE HZ H 1 7.344 0.003 . 1 . . . A 8 PHE HZ . 19986 1
63 . 1 1 8 8 PHE CA C 13 54.745 0.313 . 1 . . . A 8 PHE CA . 19986 1
64 . 1 1 8 8 PHE CB C 13 38.551 0.313 . 1 . . . A 8 PHE CB . 19986 1
65 . 1 1 8 8 PHE N N 15 129.290 0.068 . 1 . . . A 8 PHE N . 19986 1
66 . 1 1 9 9 ARG H H 1 9.107 0.003 . 1 . . . A 9 ARG H . 19986 1
67 . 1 1 9 9 ARG HA H 1 4.219 0.004 . 1 . . . A 9 ARG HA . 19986 1
68 . 1 1 9 9 ARG HB2 H 1 1.970 0.003 . 2 . . . A 9 ARG HB2 . 19986 1
69 . 1 1 9 9 ARG HB3 H 1 1.874 0.003 . 2 . . . A 9 ARG HB3 . 19986 1
70 . 1 1 9 9 ARG HG2 H 1 1.422 0.005 . 2 . . . A 9 ARG HG2 . 19986 1
71 . 1 1 9 9 ARG HG3 H 1 1.366 0.017 . 2 . . . A 9 ARG HG3 . 19986 1
72 . 1 1 9 9 ARG HD2 H 1 3.183 0.004 . 2 . . . A 9 ARG HD2 . 19986 1
73 . 1 1 9 9 ARG HD3 H 1 3.182 0.004 . 2 . . . A 9 ARG HD3 . 19986 1
74 . 1 1 9 9 ARG HE H 1 7.127 0.002 . 1 . . . A 9 ARG HE . 19986 1
75 . 1 1 9 9 ARG CA C 13 58.926 0.313 . 1 . . . A 9 ARG CA . 19986 1
76 . 1 1 9 9 ARG CB C 13 30.936 0.009 . 1 . . . A 9 ARG CB . 19986 1
77 . 1 1 9 9 ARG N N 15 124.302 0.068 . 1 . . . A 9 ARG N . 19986 1
78 . 1 1 10 10 CYS H H 1 8.504 0.004 . 1 . . . A 10 CYS H . 19986 1
79 . 1 1 10 10 CYS HA H 1 5.021 0.002 . 1 . . . A 10 CYS HA . 19986 1
80 . 1 1 10 10 CYS HB2 H 1 3.254 0.002 . 2 . . . A 10 CYS HB2 . 19986 1
81 . 1 1 10 10 CYS HB3 H 1 2.585 0.001 . 2 . . . A 10 CYS HB3 . 19986 1
82 . 1 1 10 10 CYS CA C 13 58.434 0.313 . 1 . . . A 10 CYS CA . 19986 1
83 . 1 1 10 10 CYS CB C 13 32.591 0.004 . 1 . . . A 10 CYS CB . 19986 1
84 . 1 1 10 10 CYS N N 15 117.243 0.068 . 1 . . . A 10 CYS N . 19986 1
85 . 1 1 11 11 GLY H H 1 8.205 0.007 . 1 . . . A 11 GLY H . 19986 1
86 . 1 1 11 11 GLY HA2 H 1 3.852 0.003 . 2 . . . A 11 GLY HA2 . 19986 1
87 . 1 1 11 11 GLY HA3 H 1 4.204 0.002 . 2 . . . A 11 GLY HA3 . 19986 1
88 . 1 1 11 11 GLY CA C 13 45.885 0.313 . 1 . . . A 11 GLY CA . 19986 1
89 . 1 1 11 11 GLY N N 15 115.166 0.068 . 1 . . . A 11 GLY N . 19986 1
90 . 1 1 12 12 GLY H H 1 9.198 0.003 . 1 . . . A 12 GLY H . 19986 1
91 . 1 1 12 12 GLY HA2 H 1 3.684 0.001 . 2 . . . A 12 GLY HA2 . 19986 1
92 . 1 1 12 12 GLY HA3 H 1 4.193 0.004 . 2 . . . A 12 GLY HA3 . 19986 1
93 . 1 1 12 12 GLY CA C 13 43.567 0.016 . 1 . . . A 12 GLY CA . 19986 1
94 . 1 1 12 12 GLY N N 15 113.681 0.068 . 1 . . . A 12 GLY N . 19986 1
95 . 1 1 13 13 MET H H 1 8.318 0.003 . 1 . . . A 13 MET H . 19986 1
96 . 1 1 13 13 MET HA H 1 4.345 0.001 . 1 . . . A 13 MET HA . 19986 1
97 . 1 1 13 13 MET HB2 H 1 2.028 0.003 . 2 . . . A 13 MET HB2 . 19986 1
98 . 1 1 13 13 MET HB3 H 1 1.899 0.003 . 2 . . . A 13 MET HB3 . 19986 1
99 . 1 1 13 13 MET HG2 H 1 2.513 0.009 . 2 . . . A 13 MET HG2 . 19986 1
100 . 1 1 13 13 MET HG3 H 1 2.542 0.012 . 2 . . . A 13 MET HG3 . 19986 1
101 . 1 1 13 13 MET CA C 13 55.851 0.313 . 1 . . . A 13 MET CA . 19986 1
102 . 1 1 13 13 MET CB C 13 34.580 0.007 . 1 . . . A 13 MET CB . 19986 1
103 . 1 1 13 13 MET N N 15 117.847 0.068 . 1 . . . A 13 MET N . 19986 1
104 . 1 1 14 14 GLY H H 1 8.601 0.002 . 1 . . . A 14 GLY H . 19986 1
105 . 1 1 14 14 GLY HA2 H 1 3.690 0.002 . 2 . . . A 14 GLY HA2 . 19986 1
106 . 1 1 14 14 GLY HA3 H 1 4.208 0.002 . 2 . . . A 14 GLY HA3 . 19986 1
107 . 1 1 14 14 GLY CA C 13 45.798 0.010 . 1 . . . A 14 GLY CA . 19986 1
108 . 1 1 14 14 GLY N N 15 108.829 0.068 . 1 . . . A 14 GLY N . 19986 1
109 . 1 1 15 15 HIS H H 1 7.052 0.001 . 1 . . . A 15 HIS H . 19986 1
110 . 1 1 15 15 HIS HA H 1 4.609 0.002 . 1 . . . A 15 HIS HA . 19986 1
111 . 1 1 15 15 HIS HB2 H 1 3.116 0.003 . 2 . . . A 15 HIS HB2 . 19986 1
112 . 1 1 15 15 HIS HB3 H 1 3.116 0.003 . 2 . . . A 15 HIS HB3 . 19986 1
113 . 1 1 15 15 HIS HD1 H 1 12.095 0.004 . 1 . . . A 15 HIS HD1 . 19986 1
114 . 1 1 15 15 HIS HD2 H 1 6.902 0.001 . 1 . . . A 15 HIS HD2 . 19986 1
115 . 1 1 15 15 HIS HE1 H 1 7.616 0.001 . 1 . . . A 15 HIS HE1 . 19986 1
116 . 1 1 15 15 HIS CB C 13 30.190 0.313 . 1 . . . A 15 HIS CB . 19986 1
117 . 1 1 15 15 HIS N N 15 113.829 0.068 . 1 . . . A 15 HIS N . 19986 1
118 . 1 1 16 16 TRP H H 1 8.249 0.002 . 1 . . . A 16 TRP H . 19986 1
119 . 1 1 16 16 TRP HA H 1 5.017 0.002 . 1 . . . A 16 TRP HA . 19986 1
120 . 1 1 16 16 TRP HB2 H 1 3.136 0.002 . 2 . . . A 16 TRP HB2 . 19986 1
121 . 1 1 16 16 TRP HB3 H 1 3.544 0.002 . 2 . . . A 16 TRP HB3 . 19986 1
122 . 1 1 16 16 TRP HD1 H 1 7.280 0.001 . 1 . . . A 16 TRP HD1 . 19986 1
123 . 1 1 16 16 TRP HE1 H 1 10.188 0.002 . 1 . . . A 16 TRP HE1 . 19986 1
124 . 1 1 16 16 TRP HE3 H 1 7.667 0.003 . 1 . . . A 16 TRP HE3 . 19986 1
125 . 1 1 16 16 TRP HZ2 H 1 7.495 0.002 . 1 . . . A 16 TRP HZ2 . 19986 1
126 . 1 1 16 16 TRP HZ3 H 1 7.253 0.005 . 1 . . . A 16 TRP HZ3 . 19986 1
127 . 1 1 16 16 TRP HH2 H 1 7.180 0.004 . 1 . . . A 16 TRP HH2 . 19986 1
128 . 1 1 16 16 TRP CA C 13 58.405 0.313 . 1 . . . A 16 TRP CA . 19986 1
129 . 1 1 16 16 TRP CB C 13 31.082 0.013 . 1 . . . A 16 TRP CB . 19986 1
130 . 1 1 16 16 TRP N N 15 118.974 0.068 . 1 . . . A 16 TRP N . 19986 1
131 . 1 1 17 17 ALA H H 1 9.004 0.001 . 1 . . . A 17 ALA H . 19986 1
132 . 1 1 17 17 ALA HA H 1 4.909 0.002 . 1 . . . A 17 ALA HA . 19986 1
133 . 1 1 17 17 ALA HB1 H 1 1.420 0.002 . 1 . . . A 17 ALA HB1 . 19986 1
134 . 1 1 17 17 ALA HB2 H 1 1.420 0.002 . 1 . . . A 17 ALA HB2 . 19986 1
135 . 1 1 17 17 ALA HB3 H 1 1.420 0.002 . 1 . . . A 17 ALA HB3 . 19986 1
136 . 1 1 17 17 ALA CB C 13 19.408 0.313 . 1 . . . A 17 ALA CB . 19986 1
137 . 1 1 17 17 ALA N N 15 125.898 0.068 . 1 . . . A 17 ALA N . 19986 1
138 . 1 1 18 18 SER H H 1 8.049 0.009 . 1 . . . A 18 SER H . 19986 1
139 . 1 1 18 18 SER HA H 1 4.449 0.003 . 1 . . . A 18 SER HA . 19986 1
140 . 1 1 18 18 SER HB2 H 1 3.811 0.004 . 1 . . . A 18 SER HB2 . 19986 1
141 . 1 1 18 18 SER HB3 H 1 3.811 0.004 . 1 . . . A 18 SER HB3 . 19986 1
142 . 1 1 18 18 SER CA C 13 58.277 0.313 . 1 . . . A 18 SER CA . 19986 1
143 . 1 1 18 18 SER CB C 13 64.054 0.313 . 1 . . . A 18 SER CB . 19986 1
144 . 1 1 18 18 SER N N 15 116.139 0.068 . 1 . . . A 18 SER N . 19986 1
145 . 1 1 19 19 GLN H H 1 8.046 0.004 . 1 . . . A 19 GLN H . 19986 1
146 . 1 1 19 19 GLN HA H 1 4.544 0.003 . 1 . . . A 19 GLN HA . 19986 1
147 . 1 1 19 19 GLN HB2 H 1 2.025 0.003 . 2 . . . A 19 GLN HB2 . 19986 1
148 . 1 1 19 19 GLN HB3 H 1 2.025 0.003 . 2 . . . A 19 GLN HB3 . 19986 1
149 . 1 1 19 19 GLN HG2 H 1 2.341 0.009 . 2 . . . A 19 GLN HG2 . 19986 1
150 . 1 1 19 19 GLN HG3 H 1 2.341 0.009 . 2 . . . A 19 GLN HG3 . 19986 1
151 . 1 1 19 19 GLN HE21 H 1 7.530 0.001 . 1 . . . A 19 GLN HE21 . 19986 1
152 . 1 1 19 19 GLN HE22 H 1 6.758 0.001 . 1 . . . A 19 GLN HE22 . 19986 1
153 . 1 1 19 19 GLN CA C 13 54.309 0.313 . 1 . . . A 19 GLN CA . 19986 1
154 . 1 1 19 19 GLN CB C 13 27.411 0.313 . 1 . . . A 19 GLN CB . 19986 1
155 . 1 1 19 19 GLN N N 15 121.007 0.068 . 1 . . . A 19 GLN N . 19986 1
156 . 1 1 20 20 CYS H H 1 7.476 0.001 . 1 . . . A 20 CYS H . 19986 1
157 . 1 1 20 20 CYS HA H 1 4.087 0.003 . 1 . . . A 20 CYS HA . 19986 1
158 . 1 1 20 20 CYS HB2 H 1 2.815 0.008 . 2 . . . A 20 CYS HB2 . 19986 1
159 . 1 1 20 20 CYS HB3 H 1 3.203 0.003 . 2 . . . A 20 CYS HB3 . 19986 1
160 . 1 1 20 20 CYS CA C 13 58.721 0.313 . 1 . . . A 20 CYS CA . 19986 1
161 . 1 1 20 20 CYS CB C 13 30.379 0.047 . 1 . . . A 20 CYS CB . 19986 1
162 . 1 1 20 20 CYS N N 15 125.766 0.068 . 1 . . . A 20 CYS N . 19986 1
163 . 1 1 21 21 PRO HA H 1 4.442 0.004 . 1 . . . A 21 PRO HA . 19986 1
164 . 1 1 21 21 PRO HB2 H 1 1.960 0.003 . 2 . . . A 21 PRO HB2 . 19986 1
165 . 1 1 21 21 PRO HB3 H 1 2.156 0.004 . 2 . . . A 21 PRO HB3 . 19986 1
166 . 1 1 21 21 PRO HG2 H 1 1.796 0.004 . 2 . . . A 21 PRO HG2 . 19986 1
167 . 1 1 21 21 PRO HG3 H 1 1.864 0.005 . 2 . . . A 21 PRO HG3 . 19986 1
168 . 1 1 21 21 PRO HD2 H 1 3.125 0.004 . 2 . . . A 21 PRO HD2 . 19986 1
169 . 1 1 21 21 PRO HD3 H 1 3.448 0.001 . 2 . . . A 21 PRO HD3 . 19986 1
170 . 1 1 21 21 PRO CA C 13 63.773 0.313 . 1 . . . A 21 PRO CA . 19986 1
171 . 1 1 21 21 PRO CB C 13 32.158 0.011 . 1 . . . A 21 PRO CB . 19986 1
172 . 1 1 22 22 GLY H H 1 8.178 0.002 . 1 . . . A 22 GLY H . 19986 1
173 . 1 1 22 22 GLY HA2 H 1 4.025 0.005 . 2 . . . A 22 GLY HA2 . 19986 1
174 . 1 1 22 22 GLY HA3 H 1 3.963 0.002 . 2 . . . A 22 GLY HA3 . 19986 1
175 . 1 1 22 22 GLY CA C 13 45.260 0.024 . 1 . . . A 22 GLY CA . 19986 1
176 . 1 1 22 22 GLY N N 15 111.939 0.068 . 1 . . . A 22 GLY N . 19986 1
177 . 1 1 23 23 SER H H 1 8.747 0.002 . 1 . . . A 23 SER H . 19986 1
178 . 1 1 23 23 SER HA H 1 3.967 0.004 . 1 . . . A 23 SER HA . 19986 1
179 . 1 1 23 23 SER HB2 H 1 3.866 0.004 . 2 . . . A 23 SER HB2 . 19986 1
180 . 1 1 23 23 SER HB3 H 1 3.866 0.004 . 2 . . . A 23 SER HB3 . 19986 1
181 . 1 1 23 23 SER CA C 13 62.688 0.313 . 1 . . . A 23 SER CA . 19986 1
182 . 1 1 23 23 SER CB C 13 63.710 0.313 . 1 . . . A 23 SER CB . 19986 1
183 . 1 1 23 23 SER N N 15 111.818 0.068 . 1 . . . A 23 SER N . 19986 1
184 . 1 1 24 24 VAL H H 1 8.089 0.003 . 1 . . . A 24 VAL H . 19986 1
185 . 1 1 24 24 VAL HA H 1 4.456 0.005 . 1 . . . A 24 VAL HA . 19986 1
186 . 1 1 24 24 VAL HB H 1 2.111 0.004 . 1 . . . A 24 VAL HB . 19986 1
187 . 1 1 24 24 VAL HG11 H 1 0.925 0.015 . 2 . . . A 24 VAL HG11 . 19986 1
188 . 1 1 24 24 VAL HG12 H 1 0.925 0.015 . 2 . . . A 24 VAL HG12 . 19986 1
189 . 1 1 24 24 VAL HG13 H 1 0.925 0.015 . 2 . . . A 24 VAL HG13 . 19986 1
190 . 1 1 24 24 VAL HG21 H 1 0.967 0.005 . 2 . . . A 24 VAL HG21 . 19986 1
191 . 1 1 24 24 VAL HG22 H 1 0.967 0.005 . 2 . . . A 24 VAL HG22 . 19986 1
192 . 1 1 24 24 VAL HG23 H 1 0.967 0.005 . 2 . . . A 24 VAL HG23 . 19986 1
193 . 1 1 24 24 VAL CA C 13 60.035 0.313 . 1 . . . A 24 VAL CA . 19986 1
194 . 1 1 24 24 VAL CB C 13 32.627 0.313 . 1 . . . A 24 VAL CB . 19986 1
195 . 1 1 24 24 VAL N N 15 123.284 0.068 . 1 . . . A 24 VAL N . 19986 1
196 . 1 1 25 25 PRO HA H 1 4.355 0.004 . 1 . . . A 25 PRO HA . 19986 1
197 . 1 1 25 25 PRO HB2 H 1 2.301 0.004 . 2 . . . A 25 PRO HB2 . 19986 1
198 . 1 1 25 25 PRO HB3 H 1 1.928 0.002 . 2 . . . A 25 PRO HB3 . 19986 1
199 . 1 1 25 25 PRO HG2 H 1 2.052 0.005 . 2 . . . A 25 PRO HG2 . 19986 1
200 . 1 1 25 25 PRO HG3 H 1 1.977 0.005 . 2 . . . A 25 PRO HG3 . 19986 1
201 . 1 1 25 25 PRO HD2 H 1 3.866 0.009 . 2 . . . A 25 PRO HD2 . 19986 1
202 . 1 1 25 25 PRO HD3 H 1 3.689 0.004 . 2 . . . A 25 PRO HD3 . 19986 1
203 . 1 1 25 25 PRO CA C 13 63.298 0.313 . 1 . . . A 25 PRO CA . 19986 1
204 . 1 1 25 25 PRO CB C 13 32.360 0.008 . 1 . . . A 25 PRO CB . 19986 1
stop_
save_