###################################
# 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 19883
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'spectral resolution'
_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-1H COSY' . . . 19883 1
2 '2D 1H-1H TOCSY' . . . 19883 1
3 '2D 1H-1H NOESY' . . . 19883 1
4 '2D 1H-13C HSQC aliphatic' . . . 19883 1
5 '2D 1H-13C HSQC aromatic' . . . 19883 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 LEU HA H 1 4.035 0.020 . 1 . . . A 2 LEU HA . 19883 1
2 . 1 1 2 2 LEU HB2 H 1 1.526 0.020 . 2 . . . A 2 LEU HB2 . 19883 1
3 . 1 1 2 2 LEU HB3 H 1 1.427 0.020 . 2 . . . A 2 LEU HB3 . 19883 1
4 . 1 1 2 2 LEU HG H 1 1.437 0.020 . 1 . . . A 2 LEU HG . 19883 1
5 . 1 1 2 2 LEU HD11 H 1 0.847 0.020 . 2 . . . A 2 LEU HD11 . 19883 1
6 . 1 1 2 2 LEU HD12 H 1 0.847 0.020 . 2 . . . A 2 LEU HD12 . 19883 1
7 . 1 1 2 2 LEU HD13 H 1 0.847 0.020 . 2 . . . A 2 LEU HD13 . 19883 1
8 . 1 1 2 2 LEU HD21 H 1 0.771 0.020 . 2 . . . A 2 LEU HD21 . 19883 1
9 . 1 1 2 2 LEU HD22 H 1 0.771 0.020 . 2 . . . A 2 LEU HD22 . 19883 1
10 . 1 1 2 2 LEU HD23 H 1 0.771 0.020 . 2 . . . A 2 LEU HD23 . 19883 1
11 . 1 1 2 2 LEU CA C 13 57.741 0.020 . 1 . . . A 2 LEU CA . 19883 1
12 . 1 1 2 2 LEU CB C 13 42.554 0.020 . 1 . . . A 2 LEU CB . 19883 1
13 . 1 1 2 2 LEU CG C 13 27.062 0.020 . 1 . . . A 2 LEU CG . 19883 1
14 . 1 1 2 2 LEU CD2 C 13 24.858 0.020 . 2 . . . A 2 LEU CD2 . 19883 1
15 . 1 1 3 3 PHE H H 1 8.09 0.020 . 1 . . . A 3 PHE H . 19883 1
16 . 1 1 3 3 PHE HA H 1 4.389 0.020 . 1 . . . A 3 PHE HA . 19883 1
17 . 1 1 3 3 PHE HB2 H 1 3.222 0.020 . 2 . . . A 3 PHE HB2 . 19883 1
18 . 1 1 3 3 PHE HB3 H 1 3.121 0.020 . 2 . . . A 3 PHE HB3 . 19883 1
19 . 1 1 3 3 PHE HD1 H 1 7.269 0.020 . 3 . . . A 3 PHE HD1 . 19883 1
20 . 1 1 3 3 PHE HD2 H 1 7.269 0.020 . 3 . . . A 3 PHE HD2 . 19883 1
21 . 1 1 3 3 PHE HE1 H 1 7.168 0.020 . 3 . . . A 3 PHE HE1 . 19883 1
22 . 1 1 3 3 PHE HE2 H 1 7.168 0.020 . 3 . . . A 3 PHE HE2 . 19883 1
23 . 1 1 3 3 PHE HZ H 1 7.425 0.020 . 1 . . . A 3 PHE HZ . 19883 1
24 . 1 1 3 3 PHE CA C 13 60.216 0.020 . 1 . . . A 3 PHE CA . 19883 1
25 . 1 1 3 3 PHE CB C 13 38.25 0.020 . 1 . . . A 3 PHE CB . 19883 1
26 . 1 1 3 3 PHE CD1 C 13 131.279 0.020 . 3 . . . A 3 PHE CD1 . 19883 1
27 . 1 1 3 3 PHE CE1 C 13 129.332 0.020 . 3 . . . A 3 PHE CE1 . 19883 1
28 . 1 1 3 3 PHE CZ C 13 132.324 0.020 . 1 . . . A 3 PHE CZ . 19883 1
29 . 1 1 4 4 GLY H H 1 8.07 0.020 . 1 . . . A 4 GLY H . 19883 1
30 . 1 1 4 4 GLY HA2 H 1 4.019 0.020 . 2 . . . A 4 GLY HA2 . 19883 1
31 . 1 1 4 4 GLY HA3 H 1 3.913 0.020 . 2 . . . A 4 GLY HA3 . 19883 1
32 . 1 1 4 4 GLY CA C 13 46.793 0.020 . 1 . . . A 4 GLY CA . 19883 1
33 . 1 1 5 5 VAL H H 1 7.761 0.020 . 1 . . . A 5 VAL H . 19883 1
34 . 1 1 5 5 VAL HA H 1 3.804 0.020 . 1 . . . A 5 VAL HA . 19883 1
35 . 1 1 5 5 VAL HB H 1 2.237 0.020 . 1 . . . A 5 VAL HB . 19883 1
36 . 1 1 5 5 VAL HG11 H 1 1.069 0.020 . 2 . . . A 5 VAL HG11 . 19883 1
37 . 1 1 5 5 VAL HG12 H 1 1.069 0.020 . 2 . . . A 5 VAL HG12 . 19883 1
38 . 1 1 5 5 VAL HG13 H 1 1.069 0.020 . 2 . . . A 5 VAL HG13 . 19883 1
39 . 1 1 5 5 VAL HG21 H 1 0.959 0.020 . 2 . . . A 5 VAL HG21 . 19883 1
40 . 1 1 5 5 VAL HG22 H 1 0.959 0.020 . 2 . . . A 5 VAL HG22 . 19883 1
41 . 1 1 5 5 VAL HG23 H 1 0.959 0.020 . 2 . . . A 5 VAL HG23 . 19883 1
42 . 1 1 5 5 VAL CA C 13 65.716 0.020 . 1 . . . A 5 VAL CA . 19883 1
43 . 1 1 5 5 VAL CB C 13 32.059 0.020 . 1 . . . A 5 VAL CB . 19883 1
44 . 1 1 5 5 VAL CG1 C 13 22.452 0.020 . 2 . . . A 5 VAL CG1 . 19883 1
45 . 1 1 5 5 VAL CG2 C 13 21.475 0.020 . 2 . . . A 5 VAL CG2 . 19883 1
46 . 1 1 6 6 LEU H H 1 7.942 0.020 . 1 . . . A 6 LEU H . 19883 1
47 . 1 1 6 6 LEU HA H 1 4.053 0.020 . 1 . . . A 6 LEU HA . 19883 1
48 . 1 1 6 6 LEU HB2 H 1 1.841 0.020 . 2 . . . A 6 LEU HB2 . 19883 1
49 . 1 1 6 6 LEU HB3 H 1 1.55 0.020 . 2 . . . A 6 LEU HB3 . 19883 1
50 . 1 1 6 6 LEU HG H 1 1.824 0.020 . 1 . . . A 6 LEU HG . 19883 1
51 . 1 1 6 6 LEU HD11 H 1 0.886 0.020 . 2 . . . A 6 LEU HD11 . 19883 1
52 . 1 1 6 6 LEU HD12 H 1 0.886 0.020 . 2 . . . A 6 LEU HD12 . 19883 1
53 . 1 1 6 6 LEU HD13 H 1 0.886 0.020 . 2 . . . A 6 LEU HD13 . 19883 1
54 . 1 1 6 6 LEU HD21 H 1 0.841 0.020 . 2 . . . A 6 LEU HD21 . 19883 1
55 . 1 1 6 6 LEU HD22 H 1 0.841 0.020 . 2 . . . A 6 LEU HD22 . 19883 1
56 . 1 1 6 6 LEU HD23 H 1 0.841 0.020 . 2 . . . A 6 LEU HD23 . 19883 1
57 . 1 1 6 6 LEU CA C 13 54.653 0.020 . 1 . . . A 6 LEU CA . 19883 1
58 . 1 1 6 6 LEU CB C 13 41.244 0.020 . 1 . . . A 6 LEU CB . 19883 1
59 . 1 1 6 6 LEU CG C 13 27.019 0.020 . 1 . . . A 6 LEU CG . 19883 1
60 . 1 1 6 6 LEU CD1 C 13 25.441 0.020 . 2 . . . A 6 LEU CD1 . 19883 1
61 . 1 1 7 7 ALA H H 1 7.83 0.020 . 1 . . . A 7 ALA H . 19883 1
62 . 1 1 7 7 ALA HA H 1 4.102 0.020 . 1 . . . A 7 ALA HA . 19883 1
63 . 1 1 7 7 ALA HB1 H 1 1.432 0.020 . 1 . . . A 7 ALA HB1 . 19883 1
64 . 1 1 7 7 ALA HB2 H 1 1.432 0.020 . 1 . . . A 7 ALA HB2 . 19883 1
65 . 1 1 7 7 ALA HB3 H 1 1.432 0.020 . 1 . . . A 7 ALA HB3 . 19883 1
66 . 1 1 7 7 ALA CA C 13 54.298 0.020 . 1 . . . A 7 ALA CA . 19883 1
67 . 1 1 7 7 ALA CB C 13 18.412 0.020 . 1 . . . A 7 ALA CB . 19883 1
68 . 1 1 8 8 LYS H H 1 7.6 0.020 . 1 . . . A 8 LYS H . 19883 1
69 . 1 1 8 8 LYS HA H 1 4.182 0.020 . 1 . . . A 8 LYS HA . 19883 1
70 . 1 1 8 8 LYS HB2 H 1 1.986 0.020 . 2 . . . A 8 LYS HB2 . 19883 1
71 . 1 1 8 8 LYS HB3 H 1 1.986 0.020 . 2 . . . A 8 LYS HB3 . 19883 1
72 . 1 1 8 8 LYS HG2 H 1 1.608 0.020 . 2 . . . A 8 LYS HG2 . 19883 1
73 . 1 1 8 8 LYS HG3 H 1 1.491 0.020 . 2 . . . A 8 LYS HG3 . 19883 1
74 . 1 1 8 8 LYS HD2 H 1 1.717 0.020 . 2 . . . A 8 LYS HD2 . 19883 1
75 . 1 1 8 8 LYS HD3 H 1 1.717 0.020 . 2 . . . A 8 LYS HD3 . 19883 1
76 . 1 1 8 8 LYS HE2 H 1 3.011 0.020 . 2 . . . A 8 LYS HE2 . 19883 1
77 . 1 1 8 8 LYS HE3 H 1 3.011 0.020 . 2 . . . A 8 LYS HE3 . 19883 1
78 . 1 1 8 8 LYS CA C 13 57.923 0.020 . 1 . . . A 8 LYS CA . 19883 1
79 . 1 1 8 8 LYS CB C 13 32.826 0.020 . 1 . . . A 8 LYS CB . 19883 1
80 . 1 1 8 8 LYS CG C 13 25.296 0.020 . 1 . . . A 8 LYS CG . 19883 1
81 . 1 1 8 8 LYS CD C 13 29.238 0.020 . 1 . . . A 8 LYS CD . 19883 1
82 . 1 1 8 8 LYS CE C 13 42.363 0.020 . 1 . . . A 8 LYS CE . 19883 1
83 . 1 1 9 9 VAL H H 1 7.62 0.020 . 1 . . . A 9 VAL H . 19883 1
84 . 1 1 9 9 VAL HA H 1 3.991 0.020 . 1 . . . A 9 VAL HA . 19883 1
85 . 1 1 9 9 VAL HB H 1 2.276 0.020 . 1 . . . A 9 VAL HB . 19883 1
86 . 1 1 9 9 VAL HG11 H 1 1.036 0.020 . 2 . . . A 9 VAL HG11 . 19883 1
87 . 1 1 9 9 VAL HG12 H 1 1.036 0.020 . 2 . . . A 9 VAL HG12 . 19883 1
88 . 1 1 9 9 VAL HG13 H 1 1.036 0.020 . 2 . . . A 9 VAL HG13 . 19883 1
89 . 1 1 9 9 VAL HG21 H 1 0.993 0.020 . 2 . . . A 9 VAL HG21 . 19883 1
90 . 1 1 9 9 VAL HG22 H 1 0.993 0.020 . 2 . . . A 9 VAL HG22 . 19883 1
91 . 1 1 9 9 VAL HG23 H 1 0.993 0.020 . 2 . . . A 9 VAL HG23 . 19883 1
92 . 1 1 9 9 VAL CA C 13 64.403 0.020 . 1 . . . A 9 VAL CA . 19883 1
93 . 1 1 9 9 VAL CB C 13 32.244 0.020 . 1 . . . A 9 VAL CB . 19883 1
94 . 1 1 9 9 VAL CG1 C 13 21.477 0.020 . 2 . . . A 9 VAL CG1 . 19883 1
95 . 1 1 9 9 VAL CG2 C 13 20.678 0.020 . 2 . . . A 9 VAL CG2 . 19883 1
96 . 1 1 10 10 ALA H H 1 8.085 0.020 . 1 . . . A 10 ALA H . 19883 1
97 . 1 1 10 10 ALA HA H 1 4.22 0.020 . 1 . . . A 10 ALA HA . 19883 1
98 . 1 1 10 10 ALA HB1 H 1 1.414 0.020 . 1 . . . A 10 ALA HB1 . 19883 1
99 . 1 1 10 10 ALA HB2 H 1 1.414 0.020 . 1 . . . A 10 ALA HB2 . 19883 1
100 . 1 1 10 10 ALA HB3 H 1 1.414 0.020 . 1 . . . A 10 ALA HB3 . 19883 1
101 . 1 1 10 10 ALA CA C 13 53.2 0.020 . 1 . . . A 10 ALA CA . 19883 1
102 . 1 1 10 10 ALA CB C 13 18.992 0.020 . 1 . . . A 10 ALA CB . 19883 1
103 . 1 1 11 11 ALA H H 1 7.386 0.020 . 1 . . . A 11 ALA H . 19883 1
104 . 1 1 11 11 ALA HA H 1 4.259 0.020 . 1 . . . A 11 ALA HA . 19883 1
105 . 1 1 11 11 ALA HB1 H 1 1.316 0.020 . 1 . . . A 11 ALA HB1 . 19883 1
106 . 1 1 11 11 ALA HB2 H 1 1.316 0.020 . 1 . . . A 11 ALA HB2 . 19883 1
107 . 1 1 11 11 ALA HB3 H 1 1.316 0.020 . 1 . . . A 11 ALA HB3 . 19883 1
108 . 1 1 11 11 ALA CA C 13 54.466 0.020 . 1 . . . A 11 ALA CA . 19883 1
109 . 1 1 11 11 ALA CB C 13 19.532 0.020 . 1 . . . A 11 ALA CB . 19883 1
110 . 1 1 12 12 HIS H H 1 8.042 0.020 . 1 . . . A 12 HIS H . 19883 1
111 . 1 1 12 12 HIS HA H 1 5.038 0.020 . 1 . . . A 12 HIS HA . 19883 1
112 . 1 1 12 12 HIS HB2 H 1 3.263 0.020 . 2 . . . A 12 HIS HB2 . 19883 1
113 . 1 1 12 12 HIS HB3 H 1 3.168 0.020 . 2 . . . A 12 HIS HB3 . 19883 1
114 . 1 1 12 12 HIS HD2 H 1 7.34 0.020 . 1 . . . A 12 HIS HD2 . 19883 1
115 . 1 1 12 12 HIS CA C 13 52.542 0.020 . 1 . . . A 12 HIS CA . 19883 1
116 . 1 1 12 12 HIS CB C 13 29.82 0.020 . 1 . . . A 12 HIS CB . 19883 1
117 . 1 1 13 13 I4G CA C 13 53.213 0.020 . 1 . . . A 13 I4G CA . 19883 1
118 . 1 1 13 13 I4G CB C 13 59.297 0.020 . 1 . . . A 13 I4G CB . 19883 1
119 . 1 1 13 13 I4G CD1 C 13 22.141 0.020 . 2 . . . A 13 I4G CD1 . 19883 1
120 . 1 1 13 13 I4G CD2 C 13 24.448 0.020 . 2 . . . A 13 I4G CD2 . 19883 1
121 . 1 1 13 13 I4G CG C 13 30.152 0.020 . 1 . . . A 13 I4G CG . 19883 1
122 . 1 1 13 13 I4G HA2 H 1 4.262 0.020 . 2 . . . A 13 I4G HA2 . 19883 1
123 . 1 1 13 13 I4G HA3 H 1 4.191 0.020 . 2 . . . A 13 I4G HA3 . 19883 1
124 . 1 1 13 13 I4G HB H 1 3.262 0.020 . 2 . . . A 13 I4G HB . 19883 1
125 . 1 1 13 13 I4G HD H 1 0.898 0.020 . 2 . . . A 13 I4G HD . 19883 1
126 . 1 1 13 13 I4G HG H 1 1.899 0.020 . 1 . . . A 13 I4G HG . 19883 1
127 . 1 1 14 14 VAL H H 1 8.167 0.020 . 1 . . . A 14 VAL H . 19883 1
128 . 1 1 14 14 VAL HA H 1 4.126 0.020 . 1 . . . A 14 VAL HA . 19883 1
129 . 1 1 14 14 VAL HB H 1 2.281 0.020 . 1 . . . A 14 VAL HB . 19883 1
130 . 1 1 14 14 VAL HG11 H 1 0.993 0.020 . 2 . . . A 14 VAL HG11 . 19883 1
131 . 1 1 14 14 VAL HG12 H 1 0.993 0.020 . 2 . . . A 14 VAL HG12 . 19883 1
132 . 1 1 14 14 VAL HG13 H 1 0.993 0.020 . 2 . . . A 14 VAL HG13 . 19883 1
133 . 1 1 14 14 VAL HG21 H 1 0.993 0.020 . 2 . . . A 14 VAL HG21 . 19883 1
134 . 1 1 14 14 VAL HG22 H 1 0.993 0.020 . 2 . . . A 14 VAL HG22 . 19883 1
135 . 1 1 14 14 VAL HG23 H 1 0.993 0.020 . 2 . . . A 14 VAL HG23 . 19883 1
136 . 1 1 14 14 VAL CA C 13 63.419 0.020 . 1 . . . A 14 VAL CA . 19883 1
137 . 1 1 14 14 VAL CB C 13 32.223 0.020 . 1 . . . A 14 VAL CB . 19883 1
138 . 1 1 14 14 VAL CG1 C 13 21.622 0.020 . 2 . . . A 14 VAL CG1 . 19883 1
139 . 1 1 15 15 GLY H H 1 8.506 0.020 . 1 . . . A 15 GLY H . 19883 1
140 . 1 1 15 15 GLY HA2 H 1 4.046 0.020 . 2 . . . A 15 GLY HA2 . 19883 1
141 . 1 1 15 15 GLY HA3 H 1 3.954 0.020 . 2 . . . A 15 GLY HA3 . 19883 1
142 . 1 1 15 15 GLY CA C 13 46.582 0.020 . 1 . . . A 15 GLY CA . 19883 1
143 . 1 1 16 16 ALA H H 1 7.936 0.020 . 1 . . . A 16 ALA H . 19883 1
144 . 1 1 16 16 ALA HA H 1 4.266 0.020 . 1 . . . A 16 ALA HA . 19883 1
145 . 1 1 16 16 ALA HB1 H 1 1.459 0.020 . 1 . . . A 16 ALA HB1 . 19883 1
146 . 1 1 16 16 ALA HB2 H 1 1.459 0.020 . 1 . . . A 16 ALA HB2 . 19883 1
147 . 1 1 16 16 ALA HB3 H 1 1.459 0.020 . 1 . . . A 16 ALA HB3 . 19883 1
148 . 1 1 16 16 ALA CA C 13 54.468 0.020 . 1 . . . A 16 ALA CA . 19883 1
149 . 1 1 16 16 ALA CB C 13 19.064 0.020 . 1 . . . A 16 ALA CB . 19883 1
150 . 1 1 17 17 ILE H H 1 7.934 0.020 . 1 . . . A 17 ILE H . 19883 1
151 . 1 1 17 17 ILE HA H 1 3.822 0.020 . 1 . . . A 17 ILE HA . 19883 1
152 . 1 1 17 17 ILE HB H 1 2.138 0.020 . 1 . . . A 17 ILE HB . 19883 1
153 . 1 1 17 17 ILE HG12 H 1 1.747 0.020 . 2 . . . A 17 ILE HG12 . 19883 1
154 . 1 1 17 17 ILE HG13 H 1 1.201 0.020 . 2 . . . A 17 ILE HG13 . 19883 1
155 . 1 1 17 17 ILE HG21 H 1 1.017 0.020 . 1 . . . A 17 ILE HG21 . 19883 1
156 . 1 1 17 17 ILE HG22 H 1 1.017 0.020 . 1 . . . A 17 ILE HG22 . 19883 1
157 . 1 1 17 17 ILE HG23 H 1 1.017 0.020 . 1 . . . A 17 ILE HG23 . 19883 1
158 . 1 1 17 17 ILE HD11 H 1 0.915 0.020 . 1 . . . A 17 ILE HD11 . 19883 1
159 . 1 1 17 17 ILE HD12 H 1 0.915 0.020 . 1 . . . A 17 ILE HD12 . 19883 1
160 . 1 1 17 17 ILE HD13 H 1 0.915 0.020 . 1 . . . A 17 ILE HD13 . 19883 1
161 . 1 1 17 17 ILE CA C 13 64.801 0.020 . 1 . . . A 17 ILE CA . 19883 1
162 . 1 1 17 17 ILE CB C 13 37.562 0.020 . 1 . . . A 17 ILE CB . 19883 1
163 . 1 1 17 17 ILE CG1 C 13 28.994 0.020 . 1 . . . A 17 ILE CG1 . 19883 1
164 . 1 1 18 18 ALA H H 1 8.147 0.020 . 1 . . . A 18 ALA H . 19883 1
165 . 1 1 18 18 ALA HA H 1 4.089 0.020 . 1 . . . A 18 ALA HA . 19883 1
166 . 1 1 18 18 ALA HB1 H 1 1.484 0.020 . 1 . . . A 18 ALA HB1 . 19883 1
167 . 1 1 18 18 ALA HB2 H 1 1.484 0.020 . 1 . . . A 18 ALA HB2 . 19883 1
168 . 1 1 18 18 ALA HB3 H 1 1.484 0.020 . 1 . . . A 18 ALA HB3 . 19883 1
169 . 1 1 18 18 ALA CA C 13 55.146 0.020 . 1 . . . A 18 ALA CA . 19883 1
170 . 1 1 18 18 ALA CB C 13 18.347 0.020 . 1 . . . A 18 ALA CB . 19883 1
171 . 1 1 19 19 GLU H H 1 7.911 0.020 . 1 . . . A 19 GLU H . 19883 1
172 . 1 1 19 19 GLU HA H 1 4.048 0.020 . 1 . . . A 19 GLU HA . 19883 1
173 . 1 1 19 19 GLU HB2 H 1 2.018 0.020 . 2 . . . A 19 GLU HB2 . 19883 1
174 . 1 1 19 19 GLU HB3 H 1 1.99 0.020 . 2 . . . A 19 GLU HB3 . 19883 1
175 . 1 1 19 19 GLU HG2 H 1 2.271 0.020 . 2 . . . A 19 GLU HG2 . 19883 1
176 . 1 1 19 19 GLU HG3 H 1 2.208 0.020 . 2 . . . A 19 GLU HG3 . 19883 1
177 . 1 1 19 19 GLU CA C 13 58.366 0.020 . 1 . . . A 19 GLU CA . 19883 1
178 . 1 1 19 19 GLU CB C 13 29.668 0.020 . 1 . . . A 19 GLU CB . 19883 1
179 . 1 1 19 19 GLU CG C 13 36.088 0.020 . 1 . . . A 19 GLU CG . 19883 1
180 . 1 1 20 20 HIS H H 1 7.811 0.020 . 1 . . . A 20 HIS H . 19883 1
181 . 1 1 20 20 HIS HA H 1 4.279 0.020 . 1 . . . A 20 HIS HA . 19883 1
182 . 1 1 20 20 HIS HB2 H 1 2.989 0.020 . 2 . . . A 20 HIS HB2 . 19883 1
183 . 1 1 20 20 HIS HB3 H 1 2.989 0.020 . 2 . . . A 20 HIS HB3 . 19883 1
184 . 1 1 20 20 HIS HD2 H 1 6.363 0.020 . 1 . . . A 20 HIS HD2 . 19883 1
185 . 1 1 20 20 HIS CA C 13 57.953 0.020 . 1 . . . A 20 HIS CA . 19883 1
186 . 1 1 20 20 HIS CB C 13 28.968 0.020 . 1 . . . A 20 HIS CB . 19883 1
187 . 1 1 21 21 PHE H H 1 7.797 0.020 . 1 . . . A 21 PHE H . 19883 1
188 . 1 1 21 21 PHE HA H 1 4.524 0.020 . 1 . . . A 21 PHE HA . 19883 1
189 . 1 1 21 21 PHE HB2 H 1 3.327 0.020 . 2 . . . A 21 PHE HB2 . 19883 1
190 . 1 1 21 21 PHE HB3 H 1 2.866 0.020 . 2 . . . A 21 PHE HB3 . 19883 1
191 . 1 1 21 21 PHE HD1 H 1 7.441 0.020 . 3 . . . A 21 PHE HD1 . 19883 1
192 . 1 1 21 21 PHE HD2 H 1 7.441 0.020 . 3 . . . A 21 PHE HD2 . 19883 1
193 . 1 1 21 21 PHE HE1 H 1 7.291 0.020 . 3 . . . A 21 PHE HE1 . 19883 1
194 . 1 1 21 21 PHE HE2 H 1 7.291 0.020 . 3 . . . A 21 PHE HE2 . 19883 1
195 . 1 1 21 21 PHE HZ H 1 7.17 0.020 . 1 . . . A 21 PHE HZ . 19883 1
196 . 1 1 21 21 PHE CB C 13 40.468 0.020 . 1 . . . A 21 PHE CB . 19883 1
197 . 1 1 21 21 PHE CD2 C 13 132.36 0.020 . 3 . . . A 21 PHE CD2 . 19883 1
198 . 1 1 21 21 PHE CE2 C 13 131.279 0.020 . 3 . . . A 21 PHE CE2 . 19883 1
199 . 1 1 21 21 PHE CZ C 13 129.332 0.020 . 1 . . . A 21 PHE CZ . 19883 1
200 . 1 1 22 22 NH2 HN1 H 1 7.303 0.020 . 2 . . . A 22 NH2 HN1 . 19883 1
201 . 1 1 22 22 NH2 HN2 H 1 7.001 0.020 . 2 . . . A 22 NH2 HN2 . 19883 1
stop_
save_