###################################
# 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 19856
_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' . . . 19856 1
2 '2D 1H-1H TOCSY' . . . 19856 1
3 '2D 1H-1H NOESY' . . . 19856 1
4 '2D 1H-13C HSQC aliphatic' . . . 19856 1
5 '2D 1H-13C HSQC aromatic' . . . 19856 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 GLY HA2 H 1 4.045 0.01 . 2 . . . A 1 GLY HA2 . 19856 1
2 . 1 1 1 1 GLY HA3 H 1 3.862 0.01 . 2 . . . A 1 GLY HA3 . 19856 1
3 . 1 1 1 1 GLY CA C 13 43.584 0.10 . 1 . . . A 1 GLY CA . 19856 1
4 . 1 1 2 2 LEU HA H 1 3.998 0.01 . 1 . . . A 2 LEU HA . 19856 1
5 . 1 1 2 2 LEU HB2 H 1 1.611 0.01 . 2 . . . A 2 LEU HB2 . 19856 1
6 . 1 1 2 2 LEU HB3 H 1 1.505 0.01 . 2 . . . A 2 LEU HB3 . 19856 1
7 . 1 1 2 2 LEU HG H 1 1.516 0.01 . 1 . . . A 2 LEU HG . 19856 1
8 . 1 1 2 2 LEU HD11 H 1 0.859 0.01 . 2 . . . A 2 LEU HD11 . 19856 1
9 . 1 1 2 2 LEU HD12 H 1 0.859 0.01 . 2 . . . A 2 LEU HD12 . 19856 1
10 . 1 1 2 2 LEU HD13 H 1 0.859 0.01 . 2 . . . A 2 LEU HD13 . 19856 1
11 . 1 1 2 2 LEU HD21 H 1 0.786 0.01 . 2 . . . A 2 LEU HD21 . 19856 1
12 . 1 1 2 2 LEU HD22 H 1 0.786 0.01 . 2 . . . A 2 LEU HD22 . 19856 1
13 . 1 1 2 2 LEU HD23 H 1 0.786 0.01 . 2 . . . A 2 LEU HD23 . 19856 1
14 . 1 1 2 2 LEU CA C 13 58.480 0.10 . 1 . . . A 2 LEU CA . 19856 1
15 . 1 1 2 2 LEU CB C 13 42.447 0.10 . 1 . . . A 2 LEU CB . 19856 1
16 . 1 1 2 2 LEU CG C 13 27.291 0.10 . 1 . . . A 2 LEU CG . 19856 1
17 . 1 1 2 2 LEU CD1 C 13 24.371 0.10 . 2 . . . A 2 LEU CD1 . 19856 1
18 . 1 1 2 2 LEU CD2 C 13 25.077 0.10 . 2 . . . A 2 LEU CD2 . 19856 1
19 . 1 1 3 3 PHE H H 1 8.946 0.01 . 1 . . . A 3 PHE H . 19856 1
20 . 1 1 3 3 PHE HA H 1 4.165 0.01 . 1 . . . A 3 PHE HA . 19856 1
21 . 1 1 3 3 PHE HB2 H 1 3.159 0.01 . 2 . . . A 3 PHE HB2 . 19856 1
22 . 1 1 3 3 PHE HB3 H 1 3.120 0.01 . 2 . . . A 3 PHE HB3 . 19856 1
23 . 1 1 3 3 PHE HD1 H 1 7.233 0.01 . 3 . . . A 3 PHE HD1 . 19856 1
24 . 1 1 3 3 PHE HE1 H 1 7.136 0.01 . 3 . . . A 3 PHE HE1 . 19856 1
25 . 1 1 3 3 PHE HE2 H 1 7.136 0.01 . 3 . . . A 3 PHE HE2 . 19856 1
26 . 1 1 3 3 PHE CA C 13 61.601 0.10 . 1 . . . A 3 PHE CA . 19856 1
27 . 1 1 3 3 PHE CB C 13 37.969 0.10 . 1 . . . A 3 PHE CB . 19856 1
28 . 1 1 3 3 PHE CD1 C 13 131.466 0.10 . 3 . . . A 3 PHE CD1 . 19856 1
29 . 1 1 4 4 GLY H H 1 8.199 0.01 . 1 . . . A 4 GLY H . 19856 1
30 . 1 1 4 4 GLY HA2 H 1 3.961 0.01 . 2 . . . A 4 GLY HA2 . 19856 1
31 . 1 1 4 4 GLY HA3 H 1 3.807 0.01 . 2 . . . A 4 GLY HA3 . 19856 1
32 . 1 1 4 4 GLY CA C 13 46.903 0.10 . 1 . . . A 4 GLY CA . 19856 1
33 . 1 1 5 5 VAL H H 1 7.715 0.01 . 1 . . . A 5 VAL H . 19856 1
34 . 1 1 5 5 VAL HA H 1 3.785 0.01 . 1 . . . A 5 VAL HA . 19856 1
35 . 1 1 5 5 VAL HB H 1 2.198 0.01 . 1 . . . A 5 VAL HB . 19856 1
36 . 1 1 5 5 VAL HG11 H 1 1.049 0.01 . 2 . . . A 5 VAL HG11 . 19856 1
37 . 1 1 5 5 VAL HG12 H 1 1.049 0.01 . 2 . . . A 5 VAL HG12 . 19856 1
38 . 1 1 5 5 VAL HG13 H 1 1.049 0.01 . 2 . . . A 5 VAL HG13 . 19856 1
39 . 1 1 5 5 VAL HG21 H 1 0.913 0.01 . 2 . . . A 5 VAL HG21 . 19856 1
40 . 1 1 5 5 VAL HG22 H 1 0.913 0.01 . 2 . . . A 5 VAL HG22 . 19856 1
41 . 1 1 5 5 VAL HG23 H 1 0.913 0.01 . 2 . . . A 5 VAL HG23 . 19856 1
42 . 1 1 5 5 VAL CA C 13 65.813 0.10 . 1 . . . A 5 VAL CA . 19856 1
43 . 1 1 5 5 VAL CB C 13 31.877 0.10 . 1 . . . A 5 VAL CB . 19856 1
44 . 1 1 5 5 VAL CG1 C 13 22.490 0.10 . 2 . . . A 5 VAL CG1 . 19856 1
45 . 1 1 5 5 VAL CG2 C 13 21.498 0.10 . 2 . . . A 5 VAL CG2 . 19856 1
46 . 1 1 6 6 LEU H H 1 8.016 0.01 . 1 . . . A 6 LEU H . 19856 1
47 . 1 1 6 6 LEU HA H 1 3.973 0.01 . 1 . . . A 6 LEU HA . 19856 1
48 . 1 1 6 6 LEU HB2 H 1 1.819 0.01 . 2 . . . A 6 LEU HB2 . 19856 1
49 . 1 1 6 6 LEU HB3 H 1 1.422 0.01 . 2 . . . A 6 LEU HB3 . 19856 1
50 . 1 1 6 6 LEU HG H 1 1.808 0.01 . 1 . . . A 6 LEU HG . 19856 1
51 . 1 1 6 6 LEU HD11 H 1 0.793 0.01 . 2 . . . A 6 LEU HD11 . 19856 1
52 . 1 1 6 6 LEU HD12 H 1 0.793 0.01 . 2 . . . A 6 LEU HD12 . 19856 1
53 . 1 1 6 6 LEU HD13 H 1 0.793 0.01 . 2 . . . A 6 LEU HD13 . 19856 1
54 . 1 1 6 6 LEU HD21 H 1 0.772 0.01 . 2 . . . A 6 LEU HD21 . 19856 1
55 . 1 1 6 6 LEU HD22 H 1 0.772 0.01 . 2 . . . A 6 LEU HD22 . 19856 1
56 . 1 1 6 6 LEU HD23 H 1 0.772 0.01 . 2 . . . A 6 LEU HD23 . 19856 1
57 . 1 1 6 6 LEU CA C 13 57.499 0.10 . 1 . . . A 6 LEU CA . 19856 1
58 . 1 1 6 6 LEU CB C 13 41.484 0.10 . 1 . . . A 6 LEU CB . 19856 1
59 . 1 1 6 6 LEU CG C 13 26.847 0.10 . 1 . . . A 6 LEU CG . 19856 1
60 . 1 1 6 6 LEU CD1 C 13 25.442 0.10 . 2 . . . A 6 LEU CD1 . 19856 1
61 . 1 1 6 6 LEU CD2 C 13 23.200 0.10 . 2 . . . A 6 LEU CD2 . 19856 1
62 . 1 1 7 7 ALA H H 1 8.133 0.01 . 1 . . . A 7 ALA H . 19856 1
63 . 1 1 7 7 ALA HA H 1 3.893 0.01 . 1 . . . A 7 ALA HA . 19856 1
64 . 1 1 7 7 ALA HB1 H 1 1.373 0.01 . 1 . . . A 7 ALA HB1 . 19856 1
65 . 1 1 7 7 ALA HB2 H 1 1.373 0.01 . 1 . . . A 7 ALA HB2 . 19856 1
66 . 1 1 7 7 ALA HB3 H 1 1.373 0.01 . 1 . . . A 7 ALA HB3 . 19856 1
67 . 1 1 7 7 ALA CA C 13 54.876 0.10 . 1 . . . A 7 ALA CA . 19856 1
68 . 1 1 7 7 ALA CB C 13 18.387 0.10 . 1 . . . A 7 ALA CB . 19856 1
69 . 1 1 8 8 LYS H H 1 7.355 0.01 . 1 . . . A 8 LYS H . 19856 1
70 . 1 1 8 8 LYS HA H 1 4.188 0.01 . 1 . . . A 8 LYS HA . 19856 1
71 . 1 1 8 8 LYS HB2 H 1 1.989 0.01 . 2 . . . A 8 LYS HB2 . 19856 1
72 . 1 1 8 8 LYS HB3 H 1 1.950 0.01 . 2 . . . A 8 LYS HB3 . 19856 1
73 . 1 1 8 8 LYS HG2 H 1 1.608 0.01 . 2 . . . A 8 LYS HG2 . 19856 1
74 . 1 1 8 8 LYS HG3 H 1 1.497 0.01 . 2 . . . A 8 LYS HG3 . 19856 1
75 . 1 1 8 8 LYS HD2 H 1 1.687 0.01 . 2 . . . A 8 LYS HD2 . 19856 1
76 . 1 1 8 8 LYS HD3 H 1 1.687 0.01 . 2 . . . A 8 LYS HD3 . 19856 1
77 . 1 1 8 8 LYS HE2 H 1 2.957 0.01 . 2 . . . A 8 LYS HE2 . 19856 1
78 . 1 1 8 8 LYS HE3 H 1 2.957 0.01 . 2 . . . A 8 LYS HE3 . 19856 1
79 . 1 1 8 8 LYS CA C 13 57.941 0.10 . 1 . . . A 8 LYS CA . 19856 1
80 . 1 1 8 8 LYS CB C 13 33.039 0.10 . 1 . . . A 8 LYS CB . 19856 1
81 . 1 1 8 8 LYS CG C 13 25.210 0.10 . 1 . . . A 8 LYS CG . 19856 1
82 . 1 1 8 8 LYS CD C 13 29.190 0.10 . 1 . . . A 8 LYS CD . 19856 1
83 . 1 1 8 8 LYS CE C 13 42.124 0.10 . 1 . . . A 8 LYS CE . 19856 1
84 . 1 1 9 9 VAL H H 1 7.570 0.01 . 1 . . . A 9 VAL H . 19856 1
85 . 1 1 9 9 VAL HA H 1 4.306 0.01 . 1 . . . A 9 VAL HA . 19856 1
86 . 1 1 9 9 VAL HB H 1 2.289 0.01 . 1 . . . A 9 VAL HB . 19856 1
87 . 1 1 9 9 VAL HG11 H 1 0.944 0.01 . 2 . . . A 9 VAL HG11 . 19856 1
88 . 1 1 9 9 VAL HG12 H 1 0.944 0.01 . 2 . . . A 9 VAL HG12 . 19856 1
89 . 1 1 9 9 VAL HG13 H 1 0.944 0.01 . 2 . . . A 9 VAL HG13 . 19856 1
90 . 1 1 9 9 VAL HG21 H 1 0.988 0.01 . 2 . . . A 9 VAL HG21 . 19856 1
91 . 1 1 9 9 VAL HG22 H 1 0.988 0.01 . 2 . . . A 9 VAL HG22 . 19856 1
92 . 1 1 9 9 VAL HG23 H 1 0.988 0.01 . 2 . . . A 9 VAL HG23 . 19856 1
93 . 1 1 9 9 VAL CA C 13 61.850 0.10 . 1 . . . A 9 VAL CA . 19856 1
94 . 1 1 9 9 VAL CB C 13 32.635 0.10 . 1 . . . A 9 VAL CB . 19856 1
95 . 1 1 9 9 VAL CG1 C 13 21.590 0.10 . 2 . . . A 9 VAL CG1 . 19856 1
96 . 1 1 9 9 VAL CG2 C 13 20.332 0.10 . 2 . . . A 9 VAL CG2 . 19856 1
97 . 1 1 10 10 ALA H H 1 7.759 0.01 . 1 . . . A 10 ALA H . 19856 1
98 . 1 1 10 10 ALA HA H 1 4.381 0.01 . 1 . . . A 10 ALA HA . 19856 1
99 . 1 1 10 10 ALA HB1 H 1 1.457 0.01 . 1 . . . A 10 ALA HB1 . 19856 1
100 . 1 1 10 10 ALA HB2 H 1 1.457 0.01 . 1 . . . A 10 ALA HB2 . 19856 1
101 . 1 1 10 10 ALA HB3 H 1 1.457 0.01 . 1 . . . A 10 ALA HB3 . 19856 1
102 . 1 1 10 10 ALA CB C 13 18.925 0.10 . 1 . . . A 10 ALA CB . 19856 1
103 . 1 1 11 11 I4G CA C 13 53.969 0.10 . 1 . . . A 11 I4G CA . 19856 1
104 . 1 1 11 11 I4G CB C 13 58.822 0.10 . 1 . . . A 11 I4G CB . 19856 1
105 . 1 1 11 11 I4G CD1 C 13 22.448 0.10 . 2 . . . A 11 I4G CD1 . 19856 1
106 . 1 1 11 11 I4G CD2 C 13 21.958 0.10 . 2 . . . A 11 I4G CD2 . 19856 1
107 . 1 1 11 11 I4G HA2 H 1 4.039 0.01 . 2 . . . A 11 I4G HA2 . 19856 1
108 . 1 1 11 11 I4G HA3 H 1 3.958 0.01 . 2 . . . A 11 I4G HA3 . 19856 1
109 . 1 1 11 11 I4G HB2 H 1 3.421 0.01 . 2 . . . A 11 I4G HB2 . 19856 1
110 . 1 1 11 11 I4G HB3 H 1 3.358 0.01 . 2 . . . A 11 I4G HB3 . 19856 1
111 . 1 1 11 11 I4G HD1 H 1 0.953 0.01 . 2 . . . A 11 I4G HD1 . 19856 1
112 . 1 1 11 11 I4G HD2 H 1 0.896 0.01 . 2 . . . A 11 I4G HD2 . 19856 1
113 . 1 1 11 11 I4G HG H 1 1.981 0.01 . 2 . . . A 11 I4G HG . 19856 1
114 . 1 1 12 12 HIS HA H 1 4.596 0.01 . 1 . . . A 12 HIS HA . 19856 1
115 . 1 1 12 12 HIS HB2 H 1 3.237 0.01 . 2 . . . A 12 HIS HB2 . 19856 1
116 . 1 1 12 12 HIS HB3 H 1 3.191 0.01 . 2 . . . A 12 HIS HB3 . 19856 1
117 . 1 1 12 12 HIS HD2 H 1 7.137 0.01 . 1 . . . A 12 HIS HD2 . 19856 1
118 . 1 1 12 12 HIS HE1 H 1 8.149 0.01 . 1 . . . A 12 HIS HE1 . 19856 1
119 . 1 1 12 12 HIS CB C 13 29.667 0.10 . 1 . . . A 12 HIS CB . 19856 1
120 . 1 1 12 12 HIS CD2 C 13 119.916 0.10 . 1 . . . A 12 HIS CD2 . 19856 1
121 . 1 1 12 12 HIS CE1 C 13 137.894 0.10 . 1 . . . A 12 HIS CE1 . 19856 1
122 . 1 1 13 13 VAL H H 1 8.242 0.01 . 1 . . . A 13 VAL H . 19856 1
123 . 1 1 13 13 VAL HA H 1 3.728 0.01 . 1 . . . A 13 VAL HA . 19856 1
124 . 1 1 13 13 VAL HB H 1 2.181 0.01 . 1 . . . A 13 VAL HB . 19856 1
125 . 1 1 13 13 VAL HG11 H 1 1.008 0.01 . 2 . . . A 13 VAL HG11 . 19856 1
126 . 1 1 13 13 VAL HG12 H 1 1.008 0.01 . 2 . . . A 13 VAL HG12 . 19856 1
127 . 1 1 13 13 VAL HG13 H 1 1.008 0.01 . 2 . . . A 13 VAL HG13 . 19856 1
128 . 1 1 13 13 VAL HG21 H 1 0.906 0.01 . 2 . . . A 13 VAL HG21 . 19856 1
129 . 1 1 13 13 VAL HG22 H 1 0.906 0.01 . 2 . . . A 13 VAL HG22 . 19856 1
130 . 1 1 13 13 VAL HG23 H 1 0.906 0.01 . 2 . . . A 13 VAL HG23 . 19856 1
131 . 1 1 13 13 VAL CA C 13 65.941 0.10 . 1 . . . A 13 VAL CA . 19856 1
132 . 1 1 13 13 VAL CB C 13 32.053 0.10 . 1 . . . A 13 VAL CB . 19856 1
133 . 1 1 13 13 VAL CG1 C 13 22.584 0.10 . 2 . . . A 13 VAL CG1 . 19856 1
134 . 1 1 13 13 VAL CG2 C 13 21.528 0.10 . 2 . . . A 13 VAL CG2 . 19856 1
135 . 1 1 14 14 VAL H H 1 8.234 0.01 . 1 . . . A 14 VAL H . 19856 1
136 . 1 1 14 14 VAL HA H 1 3.572 0.01 . 1 . . . A 14 VAL HA . 19856 1
137 . 1 1 14 14 VAL HB H 1 2.115 0.01 . 1 . . . A 14 VAL HB . 19856 1
138 . 1 1 14 14 VAL HG11 H 1 1.012 0.01 . 2 . . . A 14 VAL HG11 . 19856 1
139 . 1 1 14 14 VAL HG12 H 1 1.012 0.01 . 2 . . . A 14 VAL HG12 . 19856 1
140 . 1 1 14 14 VAL HG13 H 1 1.012 0.01 . 2 . . . A 14 VAL HG13 . 19856 1
141 . 1 1 14 14 VAL HG21 H 1 0.929 0.01 . 2 . . . A 14 VAL HG21 . 19856 1
142 . 1 1 14 14 VAL HG22 H 1 0.929 0.01 . 2 . . . A 14 VAL HG22 . 19856 1
143 . 1 1 14 14 VAL HG23 H 1 0.929 0.01 . 2 . . . A 14 VAL HG23 . 19856 1
144 . 1 1 14 14 VAL CA C 13 66.827 0.10 . 1 . . . A 14 VAL CA . 19856 1
145 . 1 1 14 14 VAL CB C 13 31.394 0.10 . 1 . . . A 14 VAL CB . 19856 1
146 . 1 1 14 14 VAL CG1 C 13 22.937 0.10 . 2 . . . A 14 VAL CG1 . 19856 1
147 . 1 1 14 14 VAL CG2 C 13 21.522 0.10 . 2 . . . A 14 VAL CG2 . 19856 1
148 . 1 1 15 15 GLY H H 1 8.285 0.01 . 1 . . . A 15 GLY H . 19856 1
149 . 1 1 15 15 GLY HA2 H 1 3.878 0.01 . 2 . . . A 15 GLY HA2 . 19856 1
150 . 1 1 15 15 GLY HA3 H 1 3.784 0.01 . 2 . . . A 15 GLY HA3 . 19856 1
151 . 1 1 15 15 GLY CA C 13 47.066 0.10 . 1 . . . A 15 GLY CA . 19856 1
152 . 1 1 16 16 ALA H H 1 7.830 0.01 . 1 . . . A 16 ALA H . 19856 1
153 . 1 1 16 16 ALA HA H 1 4.291 0.01 . 1 . . . A 16 ALA HA . 19856 1
154 . 1 1 16 16 ALA HB1 H 1 1.504 0.01 . 1 . . . A 16 ALA HB1 . 19856 1
155 . 1 1 16 16 ALA HB2 H 1 1.504 0.01 . 1 . . . A 16 ALA HB2 . 19856 1
156 . 1 1 16 16 ALA HB3 H 1 1.504 0.01 . 1 . . . A 16 ALA HB3 . 19856 1
157 . 1 1 16 16 ALA CA C 13 54.931 0.10 . 1 . . . A 16 ALA CA . 19856 1
158 . 1 1 16 16 ALA CB C 13 18.502 0.10 . 1 . . . A 16 ALA CB . 19856 1
159 . 1 1 17 17 ILE H H 1 8.045 0.01 . 1 . . . A 17 ILE H . 19856 1
160 . 1 1 17 17 ILE HA H 1 3.745 0.01 . 1 . . . A 17 ILE HA . 19856 1
161 . 1 1 17 17 ILE HB H 1 2.067 0.01 . 1 . . . A 17 ILE HB . 19856 1
162 . 1 1 17 17 ILE HG12 H 1 1.948 0.01 . 2 . . . A 17 ILE HG12 . 19856 1
163 . 1 1 17 17 ILE HG13 H 1 1.076 0.01 . 2 . . . A 17 ILE HG13 . 19856 1
164 . 1 1 17 17 ILE HG21 H 1 0.991 0.01 . 1 . . . A 17 ILE HG21 . 19856 1
165 . 1 1 17 17 ILE HG22 H 1 0.991 0.01 . 1 . . . A 17 ILE HG22 . 19856 1
166 . 1 1 17 17 ILE HG23 H 1 0.991 0.01 . 1 . . . A 17 ILE HG23 . 19856 1
167 . 1 1 17 17 ILE HD11 H 1 0.821 0.01 . 1 . . . A 17 ILE HD11 . 19856 1
168 . 1 1 17 17 ILE HD12 H 1 0.821 0.01 . 1 . . . A 17 ILE HD12 . 19856 1
169 . 1 1 17 17 ILE HD13 H 1 0.821 0.01 . 1 . . . A 17 ILE HD13 . 19856 1
170 . 1 1 17 17 ILE CA C 13 65.356 0.10 . 1 . . . A 17 ILE CA . 19856 1
171 . 1 1 17 17 ILE CB C 13 38.103 0.10 . 1 . . . A 17 ILE CB . 19856 1
172 . 1 1 17 17 ILE CG1 C 13 29.280 0.10 . 1 . . . A 17 ILE CG1 . 19856 1
173 . 1 1 17 17 ILE CG2 C 13 18.063 0.10 . 1 . . . A 17 ILE CG2 . 19856 1
174 . 1 1 17 17 ILE CD1 C 13 13.698 0.10 . 1 . . . A 17 ILE CD1 . 19856 1
175 . 1 1 18 18 ALA H H 1 8.467 0.01 . 1 . . . A 18 ALA H . 19856 1
176 . 1 1 18 18 ALA HA H 1 4.035 0.01 . 1 . . . A 18 ALA HA . 19856 1
177 . 1 1 18 18 ALA HB1 H 1 1.499 0.01 . 1 . . . A 18 ALA HB1 . 19856 1
178 . 1 1 18 18 ALA HB2 H 1 1.499 0.01 . 1 . . . A 18 ALA HB2 . 19856 1
179 . 1 1 18 18 ALA HB3 H 1 1.499 0.01 . 1 . . . A 18 ALA HB3 . 19856 1
180 . 1 1 18 18 ALA CA C 13 55.415 0.10 . 1 . . . A 18 ALA CA . 19856 1
181 . 1 1 18 18 ALA CB C 13 18.502 0.10 . 1 . . . A 18 ALA CB . 19856 1
182 . 1 1 19 19 GLU H H 1 8.007 0.01 . 1 . . . A 19 GLU H . 19856 1
183 . 1 1 19 19 GLU HA H 1 3.984 0.01 . 1 . . . A 19 GLU HA . 19856 1
184 . 1 1 19 19 GLU HB2 H 1 2.057 0.01 . 2 . . . A 19 GLU HB2 . 19856 1
185 . 1 1 19 19 GLU HB3 H 1 1.957 0.01 . 2 . . . A 19 GLU HB3 . 19856 1
186 . 1 1 19 19 GLU HG2 H 1 2.255 0.01 . 2 . . . A 19 GLU HG2 . 19856 1
187 . 1 1 19 19 GLU HG3 H 1 2.152 0.01 . 2 . . . A 19 GLU HG3 . 19856 1
188 . 1 1 19 19 GLU CA C 13 58.406 0.10 . 1 . . . A 19 GLU CA . 19856 1
189 . 1 1 19 19 GLU CB C 13 29.818 0.10 . 1 . . . A 19 GLU CB . 19856 1
190 . 1 1 19 19 GLU CG C 13 36.122 0.10 . 1 . . . A 19 GLU CG . 19856 1
191 . 1 1 20 20 HIS H H 1 7.795 0.01 . 1 . . . A 20 HIS H . 19856 1
192 . 1 1 20 20 HIS HA H 1 4.265 0.01 . 1 . . . A 20 HIS HA . 19856 1
193 . 1 1 20 20 HIS HB2 H 1 2.942 0.01 . 2 . . . A 20 HIS HB2 . 19856 1
194 . 1 1 20 20 HIS HB3 H 1 2.942 0.01 . 2 . . . A 20 HIS HB3 . 19856 1
195 . 1 1 20 20 HIS HD2 H 1 6.161 0.01 . 1 . . . A 20 HIS HD2 . 19856 1
196 . 1 1 20 20 HIS HE1 H 1 8.263 0.01 . 1 . . . A 20 HIS HE1 . 19856 1
197 . 1 1 20 20 HIS CA C 13 58.390 0.10 . 1 . . . A 20 HIS CA . 19856 1
198 . 1 1 20 20 HIS CB C 13 29.560 0.10 . 1 . . . A 20 HIS CB . 19856 1
199 . 1 1 20 20 HIS CD2 C 13 119.863 0.10 . 1 . . . A 20 HIS CD2 . 19856 1
200 . 1 1 20 20 HIS CE1 C 13 137.526 0.10 . 1 . . . A 20 HIS CE1 . 19856 1
201 . 1 1 21 21 PHE H H 1 7.899 0.01 . 1 . . . A 21 PHE H . 19856 1
202 . 1 1 21 21 PHE HA H 1 4.423 0.01 . 1 . . . A 21 PHE HA . 19856 1
203 . 1 1 21 21 PHE HB2 H 1 3.294 0.01 . 2 . . . A 21 PHE HB2 . 19856 1
204 . 1 1 21 21 PHE HB3 H 1 2.860 0.01 . 2 . . . A 21 PHE HB3 . 19856 1
205 . 1 1 21 21 PHE HD1 H 1 7.455 0.01 . 3 . . . A 21 PHE HD1 . 19856 1
206 . 1 1 21 21 PHE HD2 H 1 7.455 0.01 . 3 . . . A 21 PHE HD2 . 19856 1
207 . 1 1 21 21 PHE HE1 H 1 7.262 0.01 . 3 . . . A 21 PHE HE1 . 19856 1
208 . 1 1 21 21 PHE HE2 H 1 7.262 0.01 . 3 . . . A 21 PHE HE2 . 19856 1
209 . 1 1 21 21 PHE HZ H 1 7.140 0.01 . 1 . . . A 21 PHE HZ . 19856 1
210 . 1 1 21 21 PHE CA C 13 58.818 0.10 . 1 . . . A 21 PHE CA . 19856 1
211 . 1 1 21 21 PHE CB C 13 40.237 0.10 . 1 . . . A 21 PHE CB . 19856 1
212 . 1 1 21 21 PHE CD1 C 13 132.277 0.10 . 3 . . . A 21 PHE CD1 . 19856 1
213 . 1 1 21 21 PHE CE1 C 13 130.940 0.10 . 3 . . . A 21 PHE CE1 . 19856 1
214 . 1 1 21 21 PHE CZ C 13 129.177 0.10 . 1 . . . A 21 PHE CZ . 19856 1
215 . 1 1 22 22 NH2 HN1 H 1 7.211 0.01 . 2 . . . A 22 NH2 HN1 . 19856 1
216 . 1 1 22 22 NH2 HN2 H 1 7.154 0.01 . 2 . . . A 22 NH2 HN2 . 19856 1
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