###################################
# 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 17227
_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 0.005
_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 NOESY . . . 17227 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $XEASY_MOLMOL . . 17227 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 2 2 SER H H 1 8.629 0.005 . 1 . . . . 2 S H . 17227 1
2 . 1 1 2 2 SER HA H 1 4.512 0.001 . 1 . . . . 2 S HA . 17227 1
3 . 1 1 2 2 SER HB2 H 1 3.844 0.005 . 2 . . . . 2 S QB . 17227 1
4 . 1 1 2 2 SER HB3 H 1 3.844 0.005 . 2 . . . . 2 S QB . 17227 1
5 . 1 1 3 3 ALA H H 1 8.370 0.005 . 1 . . . . 3 A H . 17227 1
6 . 1 1 3 3 ALA HA H 1 4.385 0.005 . 1 . . . . 3 A HA . 17227 1
7 . 1 1 3 3 ALA HB1 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1
8 . 1 1 3 3 ALA HB2 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1
9 . 1 1 3 3 ALA HB3 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1
10 . 1 1 4 4 PHE H H 1 8.052 0.005 . 1 . . . . 4 F H . 17227 1
11 . 1 1 4 4 PHE HA H 1 4.650 0.005 . 1 . . . . 4 F HA . 17227 1
12 . 1 1 4 4 PHE HB2 H 1 3.112 0.005 . 2 . . . . 4 F HB2 . 17227 1
13 . 1 1 4 4 PHE HB3 H 1 2.988 0.005 . 2 . . . . 4 F HB3 . 17227 1
14 . 1 1 5 5 CYS H H 1 8.162 0.001 . 1 . . . . 5 C H . 17227 1
15 . 1 1 5 5 CYS HA H 1 4.406 0.001 . 1 . . . . 5 C HA . 17227 1
16 . 1 1 5 5 CYS HB2 H 1 2.796 0.004 . 2 . . . . 5 C HB2 . 17227 1
17 . 1 1 5 5 CYS HB3 H 1 2.708 0.005 . 2 . . . . 5 C HB3 . 17227 1
18 . 1 1 6 6 ASN H H 1 8.705 0.005 . 1 . . . . 6 N H . 17227 1
19 . 1 1 6 6 ASN HA H 1 4.820 0.005 . 1 . . . . 6 N HA . 17227 1
20 . 1 1 6 6 ASN HB2 H 1 2.900 0.005 . 2 . . . . 6 N HB2 . 17227 1
21 . 1 1 6 6 ASN HB3 H 1 2.777 0.005 . 2 . . . . 6 N HB3 . 17227 1
22 . 1 1 7 7 LEU H H 1 8.799 0.005 . 1 . . . . 7 L H . 17227 1
23 . 1 1 7 7 LEU HA H 1 3.989 0.003 . 1 . . . . 7 L HA . 17227 1
24 . 1 1 7 7 LEU HB2 H 1 1.787 0.005 . 2 . . . . 7 L HB2 . 17227 1
25 . 1 1 7 7 LEU HB3 H 1 1.577 0.005 . 2 . . . . 7 L HB3 . 17227 1
26 . 1 1 7 7 LEU HD11 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1
27 . 1 1 7 7 LEU HD12 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1
28 . 1 1 7 7 LEU HD13 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1
29 . 1 1 7 7 LEU HG H 1 1.502 0.005 . 1 . . . . 7 L HG . 17227 1
30 . 1 1 8 8 ARG H H 1 8.304 0.005 . 1 . . . . 8 R H . 17227 1
31 . 1 1 8 8 ARG HA H 1 4.069 0.005 . 1 . . . . 8 R HA . 17227 1
32 . 1 1 8 8 ARG HB2 H 1 1.945 0.002 . 2 . . . . 8 R HB2 . 17227 1
33 . 1 1 8 8 ARG HB3 H 1 1.768 0.005 . 2 . . . . 8 R HB3 . 17227 1
34 . 1 1 8 8 ARG HD2 H 1 3.296 0.005 . 2 . . . . 8 R QD . 17227 1
35 . 1 1 8 8 ARG HD3 H 1 3.296 0.005 . 2 . . . . 8 R QD . 17227 1
36 . 1 1 8 8 ARG HE H 1 7.296 0.005 . 1 . . . . 8 R HE . 17227 1
37 . 1 1 8 8 ARG HG2 H 1 1.655 0.005 . 2 . . . . 8 R QG . 17227 1
38 . 1 1 8 8 ARG HG3 H 1 1.655 0.005 . 2 . . . . 8 R QG . 17227 1
39 . 1 1 9 9 ARG H H 1 8.004 0.003 . 1 . . . . 9 R H . 17227 1
40 . 1 1 9 9 ARG HA H 1 4.023 0.005 . 1 . . . . 9 R HA . 17227 1
41 . 1 1 9 9 ARG HB2 H 1 1.943 0.001 . 2 . . . . 9 R HB2 . 17227 1
42 . 1 1 9 9 ARG HB3 H 1 1.863 0.002 . 2 . . . . 9 R HB3 . 17227 1
43 . 1 1 9 9 ARG HD2 H 1 3.249 0.002 . 2 . . . . 9 R QD . 17227 1
44 . 1 1 9 9 ARG HD3 H 1 3.249 0.002 . 2 . . . . 9 R QD . 17227 1
45 . 1 1 9 9 ARG HE H 1 7.279 0.005 . 1 . . . . 9 R HE . 17227 1
46 . 1 1 9 9 ARG HG2 H 1 1.676 0.001 . 2 . . . . 9 R QG . 17227 1
47 . 1 1 9 9 ARG HG3 H 1 1.676 0.001 . 2 . . . . 9 R QG . 17227 1
48 . 1 1 10 10 CYS H H 1 8.709 0.006 . 1 . . . . 10 C H . 17227 1
49 . 1 1 10 10 CYS HA H 1 4.655 0.003 . 1 . . . . 10 C HA . 17227 1
50 . 1 1 10 10 CYS HB2 H 1 3.206 0.003 . 2 . . . . 10 C HB2 . 17227 1
51 . 1 1 10 10 CYS HB3 H 1 2.784 0.014 . 2 . . . . 10 C HB3 . 17227 1
52 . 1 1 11 11 GLU H H 1 9.058 0.005 . 1 . . . . 11 E H . 17227 1
53 . 1 1 11 11 GLU HA H 1 3.811 0.015 . 1 . . . . 11 E HA . 17227 1
54 . 1 1 11 11 GLU HB2 H 1 2.416 0.004 . 2 . . . . 11 E HB2 . 17227 1
55 . 1 1 11 11 GLU HB3 H 1 2.104 0.002 . 2 . . . . 11 E HB3 . 17227 1
56 . 1 1 11 11 GLU HG2 H 1 2.673 0.008 . 2 . . . . 11 E HG2 . 17227 1
57 . 1 1 11 11 GLU HG3 H 1 2.590 0.008 . 2 . . . . 11 E HG3 . 17227 1
58 . 1 1 12 12 LEU H H 1 8.123 0.005 . 1 . . . . 12 L H . 17227 1
59 . 1 1 12 12 LEU HA H 1 4.099 0.007 . 1 . . . . 12 L HA . 17227 1
60 . 1 1 12 12 LEU HB2 H 1 1.901 0.004 . 2 . . . . 12 L HB2 . 17227 1
61 . 1 1 12 12 LEU HB3 H 1 1.833 0.001 . 2 . . . . 12 L HB3 . 17227 1
62 . 1 1 12 12 LEU HD11 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1
63 . 1 1 12 12 LEU HD12 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1
64 . 1 1 12 12 LEU HD13 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1
65 . 1 1 12 12 LEU HG H 1 1.704 0.001 . 1 . . . . 12 L HG . 17227 1
66 . 1 1 13 13 SER H H 1 8.459 0.005 . 1 . . . . 13 S H . 17227 1
67 . 1 1 13 13 SER HA H 1 4.310 0.004 . 1 . . . . 13 S HA . 17227 1
68 . 1 1 13 13 SER HB2 H 1 4.049 0.001 . 2 . . . . 13 S QB . 17227 1
69 . 1 1 13 13 SER HB3 H 1 4.049 0.001 . 2 . . . . 13 S QB . 17227 1
70 . 1 1 14 14 CYS H H 1 8.285 0.005 . 1 . . . . 14 C H . 17227 1
71 . 1 1 14 14 CYS HA H 1 4.491 0.005 . 1 . . . . 14 C HA . 17227 1
72 . 1 1 14 14 CYS HB2 H 1 2.410 0.005 . 2 . . . . 14 C QB . 17227 1
73 . 1 1 14 14 CYS HB3 H 1 2.410 0.005 . 2 . . . . 14 C QB . 17227 1
74 . 1 1 15 15 ARG H H 1 8.334 0.005 . 1 . . . . 15 R H . 17227 1
75 . 1 1 15 15 ARG HA H 1 4.471 0.005 . 1 . . . . 15 R HA . 17227 1
76 . 1 1 15 15 ARG HB2 H 1 2.247 0.003 . 2 . . . . 15 R HB2 . 17227 1
77 . 1 1 15 15 ARG HB3 H 1 2.094 0.003 . 2 . . . . 15 R HB3 . 17227 1
78 . 1 1 15 15 ARG HD2 H 1 3.289 0.004 . 2 . . . . 15 R QD . 17227 1
79 . 1 1 15 15 ARG HD3 H 1 3.289 0.004 . 2 . . . . 15 R QD . 17227 1
80 . 1 1 15 15 ARG HE H 1 7.260 0.005 . 1 . . . . 15 R HE . 17227 1
81 . 1 1 15 15 ARG HG2 H 1 1.879 0.007 . 2 . . . . 15 R QG . 17227 1
82 . 1 1 15 15 ARG HG3 H 1 1.879 0.007 . 2 . . . . 15 R QG . 17227 1
83 . 1 1 16 16 SER H H 1 7.728 0.004 . 1 . . . . 16 S H . 17227 1
84 . 1 1 16 16 SER HA H 1 4.406 0.019 . 1 . . . . 16 S HA . 17227 1
85 . 1 1 16 16 SER HB2 H 1 4.093 0.005 . 2 . . . . 16 S QB . 17227 1
86 . 1 1 16 16 SER HB3 H 1 4.093 0.005 . 2 . . . . 16 S QB . 17227 1
87 . 1 1 17 17 LEU H H 1 7.401 0.001 . 1 . . . . 17 L H . 17227 1
88 . 1 1 17 17 LEU HA H 1 4.556 0.005 . 1 . . . . 17 L HA . 17227 1
89 . 1 1 17 17 LEU HB2 H 1 1.867 0.001 . 2 . . . . 17 L QB . 17227 1
90 . 1 1 17 17 LEU HB3 H 1 1.867 0.001 . 2 . . . . 17 L QB . 17227 1
91 . 1 1 17 17 LEU HD11 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1
92 . 1 1 17 17 LEU HD12 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1
93 . 1 1 17 17 LEU HD13 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1
94 . 1 1 17 17 LEU HD21 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1
95 . 1 1 17 17 LEU HD22 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1
96 . 1 1 17 17 LEU HD23 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1
97 . 1 1 17 17 LEU HG H 1 1.761 0.002 . 1 . . . . 17 L HG . 17227 1
98 . 1 1 18 18 GLY H H 1 8.170 0.001 . 1 . . . . 18 G H . 17227 1
99 . 1 1 18 18 GLY HA2 H 1 3.988 0.005 . 2 . . . . 18 G HA2 . 17227 1
100 . 1 1 18 18 GLY HA3 H 1 4.176 0.005 . 2 . . . . 18 G HA3 . 17227 1
101 . 1 1 19 19 LEU H H 1 7.449 0.005 . 1 . . . . 19 L H . 17227 1
102 . 1 1 19 19 LEU HA H 1 4.665 0.005 . 1 . . . . 19 L HA . 17227 1
103 . 1 1 19 19 LEU HB2 H 1 1.273 0.007 . 2 . . . . 19 L QB . 17227 1
104 . 1 1 19 19 LEU HB3 H 1 1.273 0.007 . 2 . . . . 19 L QB . 17227 1
105 . 1 1 19 19 LEU HD11 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1
106 . 1 1 19 19 LEU HD12 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1
107 . 1 1 19 19 LEU HD13 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1
108 . 1 1 19 19 LEU HG H 1 1.441 0.005 . 1 . . . . 19 L HG . 17227 1
109 . 1 1 20 20 LEU H H 1 8.641 0.005 . 1 . . . . 20 L H . 17227 1
110 . 1 1 20 20 LEU HA H 1 4.316 0.002 . 1 . . . . 20 L HA . 17227 1
111 . 1 1 20 20 LEU HB2 H 1 1.454 0.003 . 2 . . . . 20 L QB . 17227 1
112 . 1 1 20 20 LEU HB3 H 1 1.454 0.003 . 2 . . . . 20 L QB . 17227 1
113 . 1 1 20 20 LEU HD11 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1
114 . 1 1 20 20 LEU HD12 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1
115 . 1 1 20 20 LEU HD13 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1
116 . 1 1 20 20 LEU HD21 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1
117 . 1 1 20 20 LEU HD22 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1
118 . 1 1 20 20 LEU HD23 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1
119 . 1 1 20 20 LEU HG H 1 1.230 0.002 . 1 . . . . 20 L HG . 17227 1
120 . 1 1 21 21 GLY H H 1 8.042 0.007 . 1 . . . . 21 G H . 17227 1
121 . 1 1 21 21 GLY HA2 H 1 5.213 0.004 . 2 . . . . 21 G HA2 . 17227 1
122 . 1 1 21 21 GLY HA3 H 1 3.000 0.002 . 2 . . . . 21 G HA3 . 17227 1
123 . 1 1 22 22 LYS H H 1 8.864 0.002 . 1 . . . . 22 K H . 17227 1
124 . 1 1 22 22 LYS HA H 1 4.400 0.001 . 1 . . . . 22 K HA . 17227 1
125 . 1 1 22 22 LYS HB2 H 1 1.691 0.005 . 2 . . . . 22 K HB2 . 17227 1
126 . 1 1 22 22 LYS HB3 H 1 1.559 0.001 . 2 . . . . 22 K HB3 . 17227 1
127 . 1 1 22 22 LYS HD2 H 1 2.852 0.005 . 2 . . . . 22 K QD . 17227 1
128 . 1 1 22 22 LYS HD3 H 1 2.852 0.005 . 2 . . . . 22 K QD . 17227 1
129 . 1 1 22 22 LYS HG2 H 1 1.293 0.001 . 2 . . . . 22 K QG . 17227 1
130 . 1 1 22 22 LYS HG3 H 1 1.293 0.001 . 2 . . . . 22 K QG . 17227 1
131 . 1 1 23 23 CYS H H 1 8.254 0.006 . 1 . . . . 23 C H . 17227 1
132 . 1 1 23 23 CYS HA H 1 5.300 0.008 . 1 . . . . 23 C HA . 17227 1
133 . 1 1 23 23 CYS HB2 H 1 2.964 0.004 . 2 . . . . 23 C HB2 . 17227 1
134 . 1 1 23 23 CYS HB3 H 1 2.845 0.005 . 2 . . . . 23 C HB3 . 17227 1
135 . 1 1 24 24 ILE H H 1 9.049 0.005 . 1 . . . . 24 I H . 17227 1
136 . 1 1 24 24 ILE HA H 1 4.266 0.006 . 1 . . . . 24 I HA . 17227 1
137 . 1 1 24 24 ILE HB H 1 1.811 0.004 . 1 . . . . 24 I HB . 17227 1
138 . 1 1 24 24 ILE HD11 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1
139 . 1 1 24 24 ILE HD12 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1
140 . 1 1 24 24 ILE HD13 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1
141 . 1 1 24 24 ILE HG12 H 1 1.412 0.005 . 2 . . . . 24 I HG12 . 17227 1
142 . 1 1 24 24 ILE HG13 H 1 1.116 0.005 . 2 . . . . 24 I HG13 . 17227 1
143 . 1 1 24 24 ILE HG21 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1
144 . 1 1 24 24 ILE HG22 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1
145 . 1 1 24 24 ILE HG23 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1
146 . 1 1 25 25 GLY H H 1 9.013 0.002 . 1 . . . . 25 G H . 17227 1
147 . 1 1 25 25 GLY HA2 H 1 3.956 0.005 . 2 . . . . 25 G HA2 . 17227 1
148 . 1 1 25 25 GLY HA3 H 1 3.728 0.003 . 2 . . . . 25 G HA3 . 17227 1
149 . 1 1 26 26 GLU H H 1 8.851 0.005 . 1 . . . . 26 E H . 17227 1
150 . 1 1 26 26 GLU HA H 1 4.166 0.005 . 1 . . . . 26 E HA . 17227 1
151 . 1 1 26 26 GLU HB2 H 1 1.972 0.006 . 2 . . . . 26 E QB . 17227 1
152 . 1 1 26 26 GLU HB3 H 1 1.972 0.006 . 2 . . . . 26 E QB . 17227 1
153 . 1 1 26 26 GLU HG2 H 1 2.263 0.010 . 2 . . . . 26 E HG2 . 17227 1
154 . 1 1 26 26 GLU HG3 H 1 2.429 0.005 . 2 . . . . 26 E HG3 . 17227 1
155 . 1 1 27 27 GLU H H 1 7.734 0.006 . 1 . . . . 27 E H . 17227 1
156 . 1 1 27 27 GLU HA H 1 4.534 0.005 . 1 . . . . 27 E HA . 17227 1
157 . 1 1 27 27 GLU HB2 H 1 2.074 0.002 . 2 . . . . 27 E HB2 . 17227 1
158 . 1 1 27 27 GLU HB3 H 1 2.013 0.005 . 2 . . . . 27 E HB3 . 17227 1
159 . 1 1 27 27 GLU HG2 H 1 2.428 0.014 . 2 . . . . 27 E HG2 . 17227 1
160 . 1 1 27 27 GLU HG3 H 1 2.353 0.005 . 2 . . . . 27 E HG3 . 17227 1
161 . 1 1 28 28 CYS H H 1 8.690 0.001 . 1 . . . . 28 C H . 17227 1
162 . 1 1 28 28 CYS HA H 1 5.044 0.014 . 1 . . . . 28 C HA . 17227 1
163 . 1 1 28 28 CYS HB2 H 1 3.065 0.003 . 2 . . . . 28 C HB2 . 17227 1
164 . 1 1 28 28 CYS HB3 H 1 2.695 0.001 . 2 . . . . 28 C HB3 . 17227 1
165 . 1 1 29 29 LYS H H 1 9.499 0.005 . 1 . . . . 29 K H . 17227 1
166 . 1 1 29 29 LYS HA H 1 4.682 0.003 . 1 . . . . 29 K HA . 17227 1
167 . 1 1 29 29 LYS HB2 H 1 1.742 0.005 . 2 . . . . 29 K HB2 . 17227 1
168 . 1 1 29 29 LYS HB3 H 1 1.641 0.005 . 2 . . . . 29 K HB3 . 17227 1
169 . 1 1 29 29 LYS HD2 H 1 1.412 0.005 . 2 . . . . 29 K QD . 17227 1
170 . 1 1 29 29 LYS HD3 H 1 1.412 0.005 . 2 . . . . 29 K QD . 17227 1
171 . 1 1 29 29 LYS HE2 H 1 2.852 0.005 . 2 . . . . 29 K QE . 17227 1
172 . 1 1 29 29 LYS HE3 H 1 2.852 0.005 . 2 . . . . 29 K QE . 17227 1
173 . 1 1 29 29 LYS HG2 H 1 1.319 0.015 . 2 . . . . 29 K QG . 17227 1
174 . 1 1 29 29 LYS HG3 H 1 1.319 0.015 . 2 . . . . 29 K QG . 17227 1
175 . 1 1 30 30 CYS H H 1 8.541 0.005 . 1 . . . . 30 C H . 17227 1
176 . 1 1 30 30 CYS HA H 1 5.699 0.005 . 1 . . . . 30 C HA . 17227 1
177 . 1 1 30 30 CYS HB2 H 1 2.950 0.005 . 2 . . . . 30 C HB2 . 17227 1
178 . 1 1 30 30 CYS HB3 H 1 2.665 0.002 . 2 . . . . 30 C HB3 . 17227 1
179 . 1 1 31 31 VAL H H 1 9.515 0.002 . 1 . . . . 31 V H . 17227 1
180 . 1 1 31 31 VAL HA H 1 4.955 0.005 . 1 . . . . 31 V HA . 17227 1
181 . 1 1 31 31 VAL HB H 1 2.284 0.007 . 1 . . . . 31 V HB . 17227 1
182 . 1 1 31 31 VAL HG11 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1
183 . 1 1 31 31 VAL HG12 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1
184 . 1 1 31 31 VAL HG13 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1
185 . 1 1 31 31 VAL HG21 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1
186 . 1 1 31 31 VAL HG22 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1
187 . 1 1 31 31 VAL HG23 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1
188 . 1 1 32 32 PRO HB2 H 1 2.333 0.005 . 2 . . . . 32 P HB2 . 17227 1
189 . 1 1 32 32 PRO HB3 H 1 2.058 0.005 . 2 . . . . 32 P HB3 . 17227 1
190 . 1 1 32 32 PRO HD2 H 1 3.810 0.005 . 2 . . . . 32 P HD2 . 17227 1
191 . 1 1 32 32 PRO HD3 H 1 3.640 0.007 . 2 . . . . 32 P HD3 . 17227 1
192 . 1 1 32 32 PRO HG2 H 1 1.940 0.005 . 2 . . . . 32 P QG . 17227 1
193 . 1 1 32 32 PRO HG3 H 1 1.940 0.005 . 2 . . . . 32 P QG . 17227 1
194 . 1 1 33 33 TYR H H 1 8.262 0.005 . 1 . . . . 33 Y H . 17227 1
195 . 1 1 33 33 TYR HA H 1 4.247 0.005 . 1 . . . . 33 Y HA . 17227 1
196 . 1 1 33 33 TYR HB2 H 1 3.109 0.005 . 2 . . . . 33 Y HB2 . 17227 1
197 . 1 1 33 33 TYR HB3 H 1 2.905 0.005 . 2 . . . . 33 Y HB3 . 17227 1
198 . 1 1 33 33 TYR HD1 H 1 7.223 0.005 . 3 . . . . 33 Y QD . 17227 1
199 . 1 1 33 33 TYR HD2 H 1 7.223 0.005 . 3 . . . . 33 Y QD . 17227 1
200 . 1 1 33 33 TYR HE1 H 1 6.732 0.005 . 3 . . . . 33 Y QE . 17227 1
201 . 1 1 33 33 TYR HE2 H 1 6.732 0.005 . 3 . . . . 33 Y QE . 17227 1
stop_
save_