###################################
# 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 30555
_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' . . . 30555 1
2 '2D 1H-13C HSQC' . . . 30555 1
3 '3D HN(CA)CO' . . . 30555 1
4 '3D HNCACB' . . . 30555 1
5 '3D CBCA(CO)NH' . . . 30555 1
6 '3D HBHA(CO)NH' . . . 30555 1
7 '3D HNCACB' . . . 30555 1
8 '2D 1H-13C HSQC' . . . 30555 1
9 '3D HNCO' . . . 30555 1
10 '3D HBCBCGCDHD' . . . 30555 1
11 '3D HBCBCGCDCEHE' . . . 30555 1
12 '3D 1H-13C NOESY aromatic' . . . 30555 1
13 '3D 1H-13C NOESY aliphatic' . . . 30555 1
14 '3D 1H-15N NOESY' . . . 30555 1
15 '3D HCCH-TOCSY' . . . 30555 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.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 CYS HA H 1 4.491 . . . . . . . A 9 CYS HA . 30555 1
2 . 1 1 1 1 CYS HB2 H 1 2.693 . . . . . . . A 9 CYS HB2 . 30555 1
3 . 1 1 1 1 CYS HB3 H 1 3.109 . . . . . . . A 9 CYS HB3 . 30555 1
4 . 1 1 2 2 GLY H H 1 8.423 . . . . . . . A 10 GLY H . 30555 1
5 . 1 1 2 2 GLY HA2 H 1 4.040 . . . . . . . A 10 GLY HA2 . 30555 1
6 . 1 1 2 2 GLY HA3 H 1 3.770 . . . . . . . A 10 GLY HA3 . 30555 1
7 . 1 1 3 3 GLY H H 1 8.242 . . . . . . . A 11 GLY H . 30555 1
8 . 1 1 3 3 GLY HA2 H 1 4.056 . . . . . . . A 11 GLY HA2 . 30555 1
9 . 1 1 3 3 GLY HA3 H 1 3.524 . . . . . . . A 11 GLY HA3 . 30555 1
10 . 1 1 4 4 ALA H H 1 8.420 . . . . . . . A 12 ALA H . 30555 1
11 . 1 1 4 4 ALA HA H 1 3.544 . . . . . . . A 12 ALA HA . 30555 1
12 . 1 1 4 4 ALA HB1 H 1 1.293 . . . . . . . A 12 ALA HB1 . 30555 1
13 . 1 1 4 4 ALA HB2 H 1 1.293 . . . . . . . A 12 ALA HB2 . 30555 1
14 . 1 1 4 4 ALA HB3 H 1 1.293 . . . . . . . A 12 ALA HB3 . 30555 1
15 . 1 1 4 4 ALA CA C 13 54.168 . . . . . . . A 12 ALA CA . 30555 1
16 . 1 1 4 4 ALA N N 15 120.712 . . . . . . . A 12 ALA N . 30555 1
17 . 1 1 5 5 GLY H H 1 9.161 . . . . . . . A 13 GLY H . 30555 1
18 . 1 1 5 5 GLY HA2 H 1 4.375 . . . . . . . A 13 GLY HA2 . 30555 1
19 . 1 1 5 5 GLY HA3 H 1 3.538 . . . . . . . A 13 GLY HA3 . 30555 1
20 . 1 1 5 5 GLY CA C 13 45.173 . . . . . . . A 13 GLY CA . 30555 1
21 . 1 1 5 5 GLY N N 15 112.243 . . . . . . . A 13 GLY N . 30555 1
22 . 1 1 6 6 ALA H H 1 8.308 . . . . . . . A 14 ALA H . 30555 1
23 . 1 1 6 6 ALA HA H 1 4.246 . . . . . . . A 14 ALA HA . 30555 1
24 . 1 1 6 6 ALA HB1 H 1 1.410 . . . . . . . A 14 ALA HB1 . 30555 1
25 . 1 1 6 6 ALA HB2 H 1 1.410 . . . . . . . A 14 ALA HB2 . 30555 1
26 . 1 1 6 6 ALA HB3 H 1 1.410 . . . . . . . A 14 ALA HB3 . 30555 1
27 . 1 1 6 6 ALA CA C 13 52.167 . . . . . . . A 14 ALA CA . 30555 1
28 . 1 1 6 6 ALA N N 15 124.781 . . . . . . . A 14 ALA N . 30555 1
29 . 1 1 7 7 LYS H H 1 8.335 . . . . . . . A 15 LYS H . 30555 1
30 . 1 1 7 7 LYS HA H 1 4.495 . . . . . . . A 15 LYS HA . 30555 1
31 . 1 1 7 7 LYS HB2 H 1 1.648 . . . . . . . A 15 LYS HB2 . 30555 1
32 . 1 1 7 7 LYS HB3 H 1 1.648 . . . . . . . A 15 LYS HB3 . 30555 1
33 . 1 1 7 7 LYS HG2 H 1 1.460 . . . . . . . A 15 LYS HG2 . 30555 1
34 . 1 1 7 7 LYS HG3 H 1 1.342 . . . . . . . A 15 LYS HG3 . 30555 1
35 . 1 1 7 7 LYS HD2 H 1 1.585 . . . . . . . A 15 LYS HD2 . 30555 1
36 . 1 1 7 7 LYS HD3 H 1 1.585 . . . . . . . A 15 LYS HD3 . 30555 1
37 . 1 1 7 7 LYS N N 15 119.639 . . . . . . . A 15 LYS N . 30555 1
38 . 1 1 8 8 CYS H H 1 8.184 . . . . . . . A 16 CYS H . 30555 1
39 . 1 1 8 8 CYS HA H 1 4.738 . . . . . . . A 16 CYS HA . 30555 1
40 . 1 1 8 8 CYS HB2 H 1 3.231 . . . . . . . A 16 CYS HB2 . 30555 1
41 . 1 1 8 8 CYS HB3 H 1 3.058 . . . . . . . A 16 CYS HB3 . 30555 1
42 . 1 1 9 9 SER H H 1 9.641 . . . . . . . A 17 SER H . 30555 1
43 . 1 1 9 9 SER HA H 1 4.564 . . . . . . . A 17 SER HA . 30555 1
44 . 1 1 9 9 SER HB2 H 1 3.808 . . . . . . . A 17 SER HB2 . 30555 1
45 . 1 1 9 9 SER HB3 H 1 3.806 . . . . . . . A 17 SER HB3 . 30555 1
46 . 1 1 9 9 SER CA C 13 59.433 . . . . . . . A 17 SER CA . 30555 1
47 . 1 1 9 9 SER N N 15 115.155 . . . . . . . A 17 SER N . 30555 1
48 . 1 1 10 10 THR H H 1 7.921 . . . . . . . A 18 THR H . 30555 1
49 . 1 1 10 10 THR HA H 1 4.573 . . . . . . . A 18 THR HA . 30555 1
50 . 1 1 10 10 THR HB H 1 4.314 . . . . . . . A 18 THR HB . 30555 1
51 . 1 1 10 10 THR HG21 H 1 1.063 . . . . . . . A 18 THR HG21 . 30555 1
52 . 1 1 10 10 THR HG22 H 1 1.063 . . . . . . . A 18 THR HG22 . 30555 1
53 . 1 1 10 10 THR HG23 H 1 1.063 . . . . . . . A 18 THR HG23 . 30555 1
54 . 1 1 10 10 THR CA C 13 59.915 . . . . . . . A 18 THR CA . 30555 1
55 . 1 1 10 10 THR N N 15 112.578 . . . . . . . A 18 THR N . 30555 1
56 . 1 1 11 11 LYS HA H 1 3.658 . . . . . . . A 19 LYS HA . 30555 1
57 . 1 1 11 11 LYS HB2 H 1 1.931 . . . . . . . A 19 LYS HB2 . 30555 1
58 . 1 1 11 11 LYS HB3 H 1 1.697 . . . . . . . A 19 LYS HB3 . 30555 1
59 . 1 1 11 11 LYS HG2 H 1 1.210 . . . . . . . A 19 LYS HG2 . 30555 1
60 . 1 1 11 11 LYS HG3 H 1 1.201 . . . . . . . A 19 LYS HG3 . 30555 1
61 . 1 1 11 11 LYS HD2 H 1 1.191 . . . . . . . A 19 LYS HD2 . 30555 1
62 . 1 1 11 11 LYS HD3 H 1 1.220 . . . . . . . A 19 LYS HD3 . 30555 1
63 . 1 1 11 11 LYS CA C 13 60.429 . . . . . . . A 19 LYS CA . 30555 1
64 . 1 1 11 11 LYS CB C 13 32.066 . . . . . . . A 19 LYS CB . 30555 1
65 . 1 1 11 11 LYS CG C 13 24.438 . . . . . . . A 19 LYS CG . 30555 1
66 . 1 1 11 11 LYS CD C 13 29.343 . . . . . . . A 19 LYS CD . 30555 1
67 . 1 1 12 12 SER H H 1 7.963 . . . . . . . A 20 SER H . 30555 1
68 . 1 1 12 12 SER HA H 1 4.192 . . . . . . . A 20 SER HA . 30555 1
69 . 1 1 12 12 SER HB2 H 1 3.780 . . . . . . . A 20 SER HB2 . 30555 1
70 . 1 1 12 12 SER HB3 H 1 3.779 . . . . . . . A 20 SER HB3 . 30555 1
71 . 1 1 12 12 SER C C 13 174.670 . . . . . . . A 20 SER C . 30555 1
72 . 1 1 12 12 SER CA C 13 60.467 . . . . . . . A 20 SER CA . 30555 1
73 . 1 1 12 12 SER CB C 13 62.674 . . . . . . . A 20 SER CB . 30555 1
74 . 1 1 12 12 SER N N 15 112.057 . . . . . . . A 20 SER N . 30555 1
75 . 1 1 13 13 ASP H H 1 7.585 . . . . . . . A 21 ASP H . 30555 1
76 . 1 1 13 13 ASP HA H 1 4.527 . . . . . . . A 21 ASP HA . 30555 1
77 . 1 1 13 13 ASP HB2 H 1 2.873 . . . . . . . A 21 ASP HB2 . 30555 1
78 . 1 1 13 13 ASP HB3 H 1 2.878 . . . . . . . A 21 ASP HB3 . 30555 1
79 . 1 1 13 13 ASP C C 13 176.882 . . . . . . . A 21 ASP C . 30555 1
80 . 1 1 13 13 ASP CA C 13 56.132 . . . . . . . A 21 ASP CA . 30555 1
81 . 1 1 13 13 ASP CB C 13 42.143 . . . . . . . A 21 ASP CB . 30555 1
82 . 1 1 13 13 ASP N N 15 119.006 . . . . . . . A 21 ASP N . 30555 1
83 . 1 1 14 14 CYS H H 1 8.029 . . . . . . . A 22 CYS H . 30555 1
84 . 1 1 14 14 CYS HA H 1 5.169 . . . . . . . A 22 CYS HA . 30555 1
85 . 1 1 14 14 CYS HB2 H 1 3.046 . . . . . . . A 22 CYS HB2 . 30555 1
86 . 1 1 14 14 CYS HB3 H 1 2.620 . . . . . . . A 22 CYS HB3 . 30555 1
87 . 1 1 14 14 CYS C C 13 174.195 . . . . . . . A 22 CYS C . 30555 1
88 . 1 1 14 14 CYS CA C 13 52.583 . . . . . . . A 22 CYS CA . 30555 1
89 . 1 1 14 14 CYS CB C 13 41.014 . . . . . . . A 22 CYS CB . 30555 1
90 . 1 1 14 14 CYS N N 15 119.295 . . . . . . . A 22 CYS N . 30555 1
91 . 1 1 15 15 CYS H H 1 9.358 . . . . . . . A 23 CYS H . 30555 1
92 . 1 1 15 15 CYS HA H 1 4.446 . . . . . . . A 23 CYS HA . 30555 1
93 . 1 1 15 15 CYS HB2 H 1 3.283 . . . . . . . A 23 CYS HB2 . 30555 1
94 . 1 1 15 15 CYS HB3 H 1 2.399 . . . . . . . A 23 CYS HB3 . 30555 1
95 . 1 1 15 15 CYS C C 13 173.132 . . . . . . . A 23 CYS C . 30555 1
96 . 1 1 15 15 CYS CA C 13 54.381 . . . . . . . A 23 CYS CA . 30555 1
97 . 1 1 15 15 CYS CB C 13 40.081 . . . . . . . A 23 CYS CB . 30555 1
98 . 1 1 15 15 CYS N N 15 121.308 . . . . . . . A 23 CYS N . 30555 1
99 . 1 1 16 16 SER H H 1 8.504 . . . . . . . A 24 SER H . 30555 1
100 . 1 1 16 16 SER HA H 1 3.984 . . . . . . . A 24 SER HA . 30555 1
101 . 1 1 16 16 SER HB2 H 1 3.757 . . . . . . . A 24 SER HB2 . 30555 1
102 . 1 1 16 16 SER HB3 H 1 3.755 . . . . . . . A 24 SER HB3 . 30555 1
103 . 1 1 16 16 SER CA C 13 60.385 . . . . . . . A 24 SER CA . 30555 1
104 . 1 1 16 16 SER CB C 13 63.166 . . . . . . . A 24 SER CB . 30555 1
105 . 1 1 16 16 SER N N 15 114.055 . . . . . . . A 24 SER N . 30555 1
106 . 1 1 17 17 GLY HA2 H 1 3.567 . . . . . . . A 25 GLY HA2 . 30555 1
107 . 1 1 17 17 GLY HA3 H 1 4.226 . . . . . . . A 25 GLY HA3 . 30555 1
108 . 1 1 17 17 GLY CA C 13 44.966 . . . . . . . A 25 GLY CA . 30555 1
109 . 1 1 18 18 LEU H H 1 7.731 . . . . . . . A 26 LEU H . 30555 1
110 . 1 1 18 18 LEU HA H 1 4.687 . . . . . . . A 26 LEU HA . 30555 1
111 . 1 1 18 18 LEU HB2 H 1 1.890 . . . . . . . A 26 LEU HB2 . 30555 1
112 . 1 1 18 18 LEU HB3 H 1 1.171 . . . . . . . A 26 LEU HB3 . 30555 1
113 . 1 1 18 18 LEU HG H 1 1.053 . . . . . . . A 26 LEU HG . 30555 1
114 . 1 1 18 18 LEU HD11 H 1 0.251 . . . . . . . A 26 LEU HD11 . 30555 1
115 . 1 1 18 18 LEU HD12 H 1 0.251 . . . . . . . A 26 LEU HD12 . 30555 1
116 . 1 1 18 18 LEU HD13 H 1 0.251 . . . . . . . A 26 LEU HD13 . 30555 1
117 . 1 1 18 18 LEU HD21 H 1 0.655 . . . . . . . A 26 LEU HD21 . 30555 1
118 . 1 1 18 18 LEU HD22 H 1 0.655 . . . . . . . A 26 LEU HD22 . 30555 1
119 . 1 1 18 18 LEU HD23 H 1 0.655 . . . . . . . A 26 LEU HD23 . 30555 1
120 . 1 1 18 18 LEU C C 13 174.964 . . . . . . . A 26 LEU C . 30555 1
121 . 1 1 18 18 LEU CA C 13 54.589 . . . . . . . A 26 LEU CA . 30555 1
122 . 1 1 18 18 LEU CB C 13 43.356 . . . . . . . A 26 LEU CB . 30555 1
123 . 1 1 18 18 LEU CG C 13 28.118 . . . . . . . A 26 LEU CG . 30555 1
124 . 1 1 18 18 LEU CD1 C 13 23.926 . . . . . . . A 26 LEU CD1 . 30555 1
125 . 1 1 18 18 LEU CD2 C 13 26.436 . . . . . . . A 26 LEU CD2 . 30555 1
126 . 1 1 18 18 LEU N N 15 120.384 . . . . . . . A 26 LEU N . 30555 1
127 . 1 1 19 19 TRP H H 1 8.656 . . . . . . . A 27 TRP H . 30555 1
128 . 1 1 19 19 TRP HA H 1 4.480 . . . . . . . A 27 TRP HA . 30555 1
129 . 1 1 19 19 TRP HB2 H 1 3.072 . . . . . . . A 27 TRP HB2 . 30555 1
130 . 1 1 19 19 TRP HB3 H 1 2.331 . . . . . . . A 27 TRP HB3 . 30555 1
131 . 1 1 19 19 TRP HD1 H 1 7.072 . . . . . . . A 27 TRP HD1 . 30555 1
132 . 1 1 19 19 TRP HE1 H 1 10.103 . . . . . . . A 27 TRP HE1 . 30555 1
133 . 1 1 19 19 TRP HZ2 H 1 7.380 . . . . . . . A 27 TRP HZ2 . 30555 1
134 . 1 1 19 19 TRP C C 13 173.474 . . . . . . . A 27 TRP C . 30555 1
135 . 1 1 19 19 TRP CA C 13 55.603 . . . . . . . A 27 TRP CA . 30555 1
136 . 1 1 19 19 TRP CB C 13 32.101 . . . . . . . A 27 TRP CB . 30555 1
137 . 1 1 19 19 TRP CD1 C 13 126.554 . . . . . . . A 27 TRP CD1 . 30555 1
138 . 1 1 19 19 TRP CZ2 C 13 114.555 . . . . . . . A 27 TRP CZ2 . 30555 1
139 . 1 1 19 19 TRP N N 15 120.406 . . . . . . . A 27 TRP N . 30555 1
140 . 1 1 19 19 TRP NE1 N 15 129.460 . . . . . . . A 27 TRP NE1 . 30555 1
141 . 1 1 20 20 CYS H H 1 8.557 . . . . . . . A 28 CYS H . 30555 1
142 . 1 1 20 20 CYS HA H 1 5.106 . . . . . . . A 28 CYS HA . 30555 1
143 . 1 1 20 20 CYS HB2 H 1 2.740 . . . . . . . A 28 CYS HB2 . 30555 1
144 . 1 1 20 20 CYS HB3 H 1 2.384 . . . . . . . A 28 CYS HB3 . 30555 1
145 . 1 1 20 20 CYS C C 13 175.105 . . . . . . . A 28 CYS C . 30555 1
146 . 1 1 20 20 CYS CA C 13 54.875 . . . . . . . A 28 CYS CA . 30555 1
147 . 1 1 20 20 CYS CB C 13 40.846 . . . . . . . A 28 CYS CB . 30555 1
148 . 1 1 20 20 CYS N N 15 119.908 . . . . . . . A 28 CYS N . 30555 1
149 . 1 1 21 21 SER H H 1 9.262 . . . . . . . A 29 SER H . 30555 1
150 . 1 1 21 21 SER HA H 1 4.462 . . . . . . . A 29 SER HA . 30555 1
151 . 1 1 21 21 SER HB2 H 1 4.071 . . . . . . . A 29 SER HB2 . 30555 1
152 . 1 1 21 21 SER HB3 H 1 3.794 . . . . . . . A 29 SER HB3 . 30555 1
153 . 1 1 21 21 SER C C 13 176.192 . . . . . . . A 29 SER C . 30555 1
154 . 1 1 21 21 SER CA C 13 58.085 . . . . . . . A 29 SER CA . 30555 1
155 . 1 1 21 21 SER CB C 13 65.203 . . . . . . . A 29 SER CB . 30555 1
156 . 1 1 21 21 SER N N 15 126.926 . . . . . . . A 29 SER N . 30555 1
157 . 1 1 22 22 GLY HA2 H 1 3.950 . . . . . . . A 30 GLY HA2 . 30555 1
158 . 1 1 22 22 GLY HA3 H 1 3.950 . . . . . . . A 30 GLY HA3 . 30555 1
159 . 1 1 22 22 GLY CA C 13 46.743 . . . . . . . A 30 GLY CA . 30555 1
160 . 1 1 23 23 SER HA H 1 4.466 . . . . . . . A 31 SER HA . 30555 1
161 . 1 1 23 23 SER HB2 H 1 4.101 . . . . . . . A 31 SER HB2 . 30555 1
162 . 1 1 23 23 SER HB3 H 1 3.841 . . . . . . . A 31 SER HB3 . 30555 1
163 . 1 1 23 23 SER CA C 13 57.984 . . . . . . . A 31 SER CA . 30555 1
164 . 1 1 23 23 SER CB C 13 63.576 . . . . . . . A 31 SER CB . 30555 1
165 . 1 1 24 24 GLY H H 1 8.081 . . . . . . . A 32 GLY H . 30555 1
166 . 1 1 24 24 GLY HA2 H 1 3.910 . . . . . . . A 32 GLY HA2 . 30555 1
167 . 1 1 24 24 GLY HA3 H 1 3.758 . . . . . . . A 32 GLY HA3 . 30555 1
168 . 1 1 24 24 GLY C C 13 175.047 . . . . . . . A 32 GLY C . 30555 1
169 . 1 1 24 24 GLY CA C 13 47.010 . . . . . . . A 32 GLY CA . 30555 1
170 . 1 1 24 24 GLY N N 15 111.598 . . . . . . . A 32 GLY N . 30555 1
171 . 1 1 25 25 HIS H H 1 7.609 . . . . . . . A 33 HIS H . 30555 1
172 . 1 1 25 25 HIS HA H 1 5.548 . . . . . . . A 33 HIS HA . 30555 1
173 . 1 1 25 25 HIS HB2 H 1 2.640 . . . . . . . A 33 HIS HB2 . 30555 1
174 . 1 1 25 25 HIS HB3 H 1 2.628 . . . . . . . A 33 HIS HB3 . 30555 1
175 . 1 1 25 25 HIS HD2 H 1 6.787 . . . . . . . A 33 HIS HD2 . 30555 1
176 . 1 1 25 25 HIS C C 13 176.058 . . . . . . . A 33 HIS C . 30555 1
177 . 1 1 25 25 HIS CA C 13 55.110 . . . . . . . A 33 HIS CA . 30555 1
178 . 1 1 25 25 HIS CB C 13 33.483 . . . . . . . A 33 HIS CB . 30555 1
179 . 1 1 25 25 HIS N N 15 116.297 . . . . . . . A 33 HIS N . 30555 1
180 . 1 1 26 26 CYS H H 1 9.342 . . . . . . . A 34 CYS H . 30555 1
181 . 1 1 26 26 CYS HA H 1 5.500 . . . . . . . A 34 CYS HA . 30555 1
182 . 1 1 26 26 CYS HB2 H 1 3.139 . . . . . . . A 34 CYS HB2 . 30555 1
183 . 1 1 26 26 CYS HB3 H 1 2.548 . . . . . . . A 34 CYS HB3 . 30555 1
184 . 1 1 26 26 CYS C C 13 176.403 . . . . . . . A 34 CYS C . 30555 1
185 . 1 1 26 26 CYS CA C 13 55.218 . . . . . . . A 34 CYS CA . 30555 1
186 . 1 1 26 26 CYS CB C 13 40.460 . . . . . . . A 34 CYS CB . 30555 1
187 . 1 1 26 26 CYS N N 15 123.789 . . . . . . . A 34 CYS N . 30555 1
188 . 1 1 27 27 TYR H H 1 10.027 . . . . . . . A 35 TYR H . 30555 1
189 . 1 1 27 27 TYR HA H 1 4.957 . . . . . . . A 35 TYR HA . 30555 1
190 . 1 1 27 27 TYR HB2 H 1 2.994 . . . . . . . A 35 TYR HB2 . 30555 1
191 . 1 1 27 27 TYR HB3 H 1 2.991 . . . . . . . A 35 TYR HB3 . 30555 1
192 . 1 1 27 27 TYR HD1 H 1 7.172 . . . . . . . A 35 TYR HD1 . 30555 1
193 . 1 1 27 27 TYR HD2 H 1 7.172 . . . . . . . A 35 TYR HD2 . 30555 1
194 . 1 1 27 27 TYR HE1 H 1 6.482 . . . . . . . A 35 TYR HE1 . 30555 1
195 . 1 1 27 27 TYR HE2 H 1 6.482 . . . . . . . A 35 TYR HE2 . 30555 1
196 . 1 1 27 27 TYR C C 13 174.987 . . . . . . . A 35 TYR C . 30555 1
197 . 1 1 27 27 TYR CA C 13 56.333 . . . . . . . A 35 TYR CA . 30555 1
198 . 1 1 27 27 TYR CB C 13 41.930 . . . . . . . A 35 TYR CB . 30555 1
199 . 1 1 27 27 TYR CD1 C 13 134.199 . . . . . . . A 35 TYR CD1 . 30555 1
200 . 1 1 27 27 TYR CD2 C 13 134.199 . . . . . . . A 35 TYR CD2 . 30555 1
201 . 1 1 27 27 TYR CE1 C 13 117.307 . . . . . . . A 35 TYR CE1 . 30555 1
202 . 1 1 27 27 TYR CE2 C 13 117.307 . . . . . . . A 35 TYR CE2 . 30555 1
203 . 1 1 27 27 TYR N N 15 124.974 . . . . . . . A 35 TYR N . 30555 1
204 . 1 1 28 28 HIS H H 1 8.671 . . . . . . . A 36 HIS H . 30555 1
205 . 1 1 28 28 HIS HA H 1 4.553 . . . . . . . A 36 HIS HA . 30555 1
206 . 1 1 28 28 HIS HB2 H 1 2.964 . . . . . . . A 36 HIS HB2 . 30555 1
207 . 1 1 28 28 HIS HB3 H 1 2.919 . . . . . . . A 36 HIS HB3 . 30555 1
208 . 1 1 28 28 HIS HD2 H 1 6.947 . . . . . . . A 36 HIS HD2 . 30555 1
209 . 1 1 28 28 HIS C C 13 173.406 . . . . . . . A 36 HIS C . 30555 1
210 . 1 1 28 28 HIS CA C 13 56.569 . . . . . . . A 36 HIS CA . 30555 1
211 . 1 1 28 28 HIS CB C 13 30.984 . . . . . . . A 36 HIS CB . 30555 1
212 . 1 1 28 28 HIS N N 15 120.418 . . . . . . . A 36 HIS N . 30555 1
213 . 1 1 29 29 ARG H H 1 7.993 . . . . . . . A 37 ARG H . 30555 1
214 . 1 1 29 29 ARG HA H 1 4.348 . . . . . . . A 37 ARG HA . 30555 1
215 . 1 1 29 29 ARG HB2 H 1 2.163 . . . . . . . A 37 ARG HB2 . 30555 1
216 . 1 1 29 29 ARG HB3 H 1 1.822 . . . . . . . A 37 ARG HB3 . 30555 1
217 . 1 1 29 29 ARG HG2 H 1 1.905 . . . . . . . A 37 ARG HG2 . 30555 1
218 . 1 1 29 29 ARG HG3 H 1 1.905 . . . . . . . A 37 ARG HG3 . 30555 1
219 . 1 1 29 29 ARG HD2 H 1 3.673 . . . . . . . A 37 ARG HD2 . 30555 1
220 . 1 1 29 29 ARG HD3 H 1 3.668 . . . . . . . A 37 ARG HD3 . 30555 1
221 . 1 1 29 29 ARG C C 13 176.301 . . . . . . . A 37 ARG C . 30555 1
222 . 1 1 29 29 ARG CA C 13 63.268 . . . . . . . A 37 ARG CA . 30555 1
223 . 1 1 29 29 ARG CB C 13 32.063 . . . . . . . A 37 ARG CB . 30555 1
224 . 1 1 29 29 ARG CG C 13 27.099 . . . . . . . A 37 ARG CG . 30555 1
225 . 1 1 29 29 ARG CD C 13 50.681 . . . . . . . A 37 ARG CD . 30555 1
226 . 1 1 29 29 ARG N N 15 124.644 . . . . . . . A 37 ARG N . 30555 1
227 . 1 1 30 30 ARG H H 1 8.250 . . . . . . . A 38 ARG H . 30555 1
228 . 1 1 30 30 ARG HA H 1 4.137 . . . . . . . A 38 ARG HA . 30555 1
229 . 1 1 30 30 ARG HB2 H 1 1.575 . . . . . . . A 38 ARG HB2 . 30555 1
230 . 1 1 30 30 ARG HB3 H 1 1.510 . . . . . . . A 38 ARG HB3 . 30555 1
231 . 1 1 30 30 ARG HG2 H 1 1.336 . . . . . . . A 38 ARG HG2 . 30555 1
232 . 1 1 30 30 ARG HG3 H 1 1.323 . . . . . . . A 38 ARG HG3 . 30555 1
233 . 1 1 30 30 ARG HD2 H 1 2.987 . . . . . . . A 38 ARG HD2 . 30555 1
234 . 1 1 30 30 ARG HD3 H 1 2.987 . . . . . . . A 38 ARG HD3 . 30555 1
235 . 1 1 30 30 ARG C C 13 175.553 . . . . . . . A 38 ARG C . 30555 1
236 . 1 1 30 30 ARG CA C 13 55.895 . . . . . . . A 38 ARG CA . 30555 1
237 . 1 1 30 30 ARG CB C 13 31.064 . . . . . . . A 38 ARG CB . 30555 1
238 . 1 1 30 30 ARG CG C 13 27.002 . . . . . . . A 38 ARG CG . 30555 1
239 . 1 1 30 30 ARG CD C 13 43.204 . . . . . . . A 38 ARG CD . 30555 1
240 . 1 1 30 30 ARG N N 15 119.957 . . . . . . . A 38 ARG N . 30555 1
241 . 1 1 31 31 TYR H H 1 8.165 . . . . . . . A 39 TYR H . 30555 1
242 . 1 1 31 31 TYR HA H 1 4.567 . . . . . . . A 39 TYR HA . 30555 1
243 . 1 1 31 31 TYR HB2 H 1 3.057 . . . . . . . A 39 TYR HB2 . 30555 1
244 . 1 1 31 31 TYR HB3 H 1 2.794 . . . . . . . A 39 TYR HB3 . 30555 1
245 . 1 1 31 31 TYR HD1 H 1 7.026 . . . . . . . A 39 TYR HD1 . 30555 1
246 . 1 1 31 31 TYR HD2 H 1 7.026 . . . . . . . A 39 TYR HD2 . 30555 1
247 . 1 1 31 31 TYR HE1 H 1 6.649 . . . . . . . A 39 TYR HE1 . 30555 1
248 . 1 1 31 31 TYR HE2 H 1 6.649 . . . . . . . A 39 TYR HE2 . 30555 1
249 . 1 1 31 31 TYR C C 13 174.986 . . . . . . . A 39 TYR C . 30555 1
250 . 1 1 31 31 TYR CA C 13 57.610 . . . . . . . A 39 TYR CA . 30555 1
251 . 1 1 31 31 TYR CB C 13 38.764 . . . . . . . A 39 TYR CB . 30555 1
252 . 1 1 31 31 TYR CD1 C 13 133.213 . . . . . . . A 39 TYR CD1 . 30555 1
253 . 1 1 31 31 TYR CD2 C 13 133.213 . . . . . . . A 39 TYR CD2 . 30555 1
254 . 1 1 31 31 TYR CE1 C 13 118.020 . . . . . . . A 39 TYR CE1 . 30555 1
255 . 1 1 31 31 TYR CE2 C 13 118.020 . . . . . . . A 39 TYR CE2 . 30555 1
256 . 1 1 31 31 TYR N N 15 121.270 . . . . . . . A 39 TYR N . 30555 1
257 . 1 1 32 32 THR H H 1 7.634 . . . . . . . A 40 THR H . 30555 1
258 . 1 1 32 32 THR HA H 1 4.042 . . . . . . . A 40 THR HA . 30555 1
259 . 1 1 32 32 THR HB H 1 4.094 . . . . . . . A 40 THR HB . 30555 1
260 . 1 1 32 32 THR HG21 H 1 1.035 . . . . . . . A 40 THR HG21 . 30555 1
261 . 1 1 32 32 THR HG22 H 1 1.035 . . . . . . . A 40 THR HG22 . 30555 1
262 . 1 1 32 32 THR HG23 H 1 1.035 . . . . . . . A 40 THR HG23 . 30555 1
263 . 1 1 32 32 THR CA C 13 63.139 . . . . . . . A 40 THR CA . 30555 1
264 . 1 1 32 32 THR CB C 13 70.722 . . . . . . . A 40 THR CB . 30555 1
265 . 1 1 32 32 THR CG2 C 13 21.994 . . . . . . . A 40 THR CG2 . 30555 1
266 . 1 1 32 32 THR N N 15 119.863 . . . . . . . A 40 THR N . 30555 1
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