###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6886
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6886 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 LYS HA H 1 4.098 0.05 . 9 . . . . 1 LYS HA . 6886 1
2 . 1 1 2 2 LYS H H 1 7.866 0.05 . 9 . . . . 2 LYS H . 6886 1
3 . 1 1 2 2 LYS HA H 1 4.190 0.05 . 9 . . . . 2 LYS HA . 6886 1
4 . 1 1 2 2 LYS HB2 H 1 2.063 0.03 . 2 . . . . 2 LYS HB2 . 6886 1
5 . 1 1 2 2 LYS HB3 H 1 1.967 0.03 . 2 . . . . 2 LYS HB3 . 6886 1
6 . 1 1 2 2 LYS HG2 H 1 1.637 0.03 . 2 . . . . 2 LYS HG2 . 6886 1
7 . 1 1 2 2 LYS HD2 H 1 1.879 0.03 . 2 . . . . 2 LYS HD2 . 6886 1
8 . 1 1 2 2 LYS HE2 H 1 3.028 0.03 . 2 . . . . 2 LYS HE2 . 6886 1
9 . 1 1 3 3 ALA H H 1 7.876 0.05 . 9 . . . . 3 ALA H . 6886 1
10 . 1 1 3 3 ALA HA H 1 4.202 0.05 . 9 . . . . 3 ALA HA . 6886 1
11 . 1 1 3 3 ALA HB1 H 1 1.595 0.02 . 1 . . . . 3 ALA HB . 6886 1
12 . 1 1 3 3 ALA HB2 H 1 1.595 0.02 . 1 . . . . 3 ALA HB . 6886 1
13 . 1 1 3 3 ALA HB3 H 1 1.595 0.02 . 1 . . . . 3 ALA HB . 6886 1
14 . 1 1 4 4 LEU H H 1 8.035 0.02 . 1 . . . . 4 LEU H . 6886 1
15 . 1 1 4 4 LEU HA H 1 4.100 0.02 . 1 . . . . 4 LEU HA . 6886 1
16 . 1 1 4 4 LEU HB2 H 1 2.057 0.03 . 2 . . . . 4 LEU HB2 . 6886 1
17 . 1 1 4 4 LEU HG H 1 1.955 0.02 . 1 . . . . 4 LEU HG . 6886 1
18 . 1 1 4 4 LEU HD11 H 1 0.963 0.03 . 2 . . . . 4 LEU HD1 . 6886 1
19 . 1 1 4 4 LEU HD12 H 1 0.963 0.03 . 2 . . . . 4 LEU HD1 . 6886 1
20 . 1 1 4 4 LEU HD13 H 1 0.963 0.03 . 2 . . . . 4 LEU HD1 . 6886 1
21 . 1 1 5 5 LEU H H 1 8.267 0.02 . 1 . . . . 5 LEU H . 6886 1
22 . 1 1 5 5 LEU HA H 1 4.148 0.02 . 1 . . . . 5 LEU HA . 6886 1
23 . 1 1 5 5 LEU HB2 H 1 1.949 0.03 . 2 . . . . 5 LEU HB2 . 6886 1
24 . 1 1 5 5 LEU HG H 1 1.583 0.04 . 4 . . . . 5 LEU HG . 6886 1
25 . 1 1 5 5 LEU HD11 H 1 0.966 0.03 . 2 . . . . 5 LEU HD1 . 6886 1
26 . 1 1 5 5 LEU HD12 H 1 0.966 0.03 . 2 . . . . 5 LEU HD1 . 6886 1
27 . 1 1 5 5 LEU HD13 H 1 0.966 0.03 . 2 . . . . 5 LEU HD1 . 6886 1
28 . 1 1 6 6 ALA H H 1 7.948 0.02 . 1 . . . . 6 ALA H . 6886 1
29 . 1 1 6 6 ALA HA H 1 4.175 0.02 . 1 . . . . 6 ALA HA . 6886 1
30 . 1 1 6 6 ALA HB1 H 1 1.580 0.02 . 1 . . . . 6 ALA HB . 6886 1
31 . 1 1 6 6 ALA HB2 H 1 1.580 0.02 . 1 . . . . 6 ALA HB . 6886 1
32 . 1 1 6 6 ALA HB3 H 1 1.580 0.02 . 1 . . . . 6 ALA HB . 6886 1
33 . 1 1 7 7 LEU H H 1 8.188 0.02 . 1 . . . . 7 LEU H . 6886 1
34 . 1 1 7 7 LEU HA H 1 4.077 0.02 . 1 . . . . 7 LEU HA . 6886 1
35 . 1 1 7 7 LEU HB2 H 1 1.911 0.02 . 1 . . . . 7 LEU HB2 . 6886 1
36 . 1 1 7 7 LEU HB3 H 1 1.752 0.02 . 1 . . . . 7 LEU HB3 . 6886 1
37 . 1 1 7 7 LEU HG H 1 1.582 0.02 . 1 . . . . 7 LEU HG . 6886 1
38 . 1 1 7 7 LEU HD11 H 1 0.953 0.03 . 2 . . . . 7 LEU HD1 . 6886 1
39 . 1 1 7 7 LEU HD12 H 1 0.953 0.03 . 2 . . . . 7 LEU HD1 . 6886 1
40 . 1 1 7 7 LEU HD13 H 1 0.953 0.03 . 2 . . . . 7 LEU HD1 . 6886 1
41 . 1 1 8 8 ALA H H 1 8.497 0.05 . 9 . . . . 8 ALA H . 6886 1
42 . 1 1 8 8 ALA HA H 1 4.119 0.05 . 9 . . . . 8 ALA HA . 6886 1
43 . 1 1 8 8 ALA HB1 H 1 1.582 0.02 . 1 . . . . 8 ALA HB . 6886 1
44 . 1 1 8 8 ALA HB2 H 1 1.582 0.02 . 1 . . . . 8 ALA HB . 6886 1
45 . 1 1 8 8 ALA HB3 H 1 1.582 0.02 . 1 . . . . 8 ALA HB . 6886 1
46 . 1 1 9 9 LEU H H 1 8.650 0.05 . 9 . . . . 9 LEU H . 6886 1
47 . 1 1 9 9 LEU HA H 1 4.401 0.02 . 1 . . . . 9 LEU HA . 6886 1
48 . 1 1 9 9 LEU HB2 H 1 1.949 0.02 . 1 . . . . 9 LEU HB2 . 6886 1
49 . 1 1 9 9 LEU HB3 H 1 1.885 0.02 . 1 . . . . 9 LEU HB3 . 6886 1
50 . 1 1 9 9 LEU HG H 1 1.823 0.02 . 1 . . . . 9 LEU HG . 6886 1
51 . 1 1 9 9 LEU HD11 H 1 1.033 0.02 . 1 . . . . 9 LEU HD1 . 6886 1
52 . 1 1 9 9 LEU HD12 H 1 1.033 0.02 . 1 . . . . 9 LEU HD1 . 6886 1
53 . 1 1 9 9 LEU HD13 H 1 1.033 0.02 . 1 . . . . 9 LEU HD1 . 6886 1
54 . 1 1 9 9 LEU HD21 H 1 0.986 0.02 . 1 . . . . 9 LEU HD2 . 6886 1
55 . 1 1 9 9 LEU HD22 H 1 0.986 0.02 . 1 . . . . 9 LEU HD2 . 6886 1
56 . 1 1 9 9 LEU HD23 H 1 0.986 0.02 . 1 . . . . 9 LEU HD2 . 6886 1
57 . 1 1 10 10 HIS H H 1 8.546 0.02 . 1 . . . . 10 HIS H . 6886 1
58 . 1 1 10 10 HIS HA H 1 4.187 0.02 . 1 . . . . 10 HIS HA . 6886 1
59 . 1 1 10 10 HIS HB2 H 1 3.291 0.02 . 1 . . . . 10 HIS HB2 . 6886 1
60 . 1 1 10 10 HIS HB3 H 1 3.361 0.02 . 1 . . . . 10 HIS HB3 . 6886 1
61 . 1 1 10 10 HIS HD2 H 1 6.706 0.04 . 5 . . . . 10 HIS HD2 . 6886 1
62 . 1 1 10 10 HIS HE1 H 1 8.134 0.02 . 1 . . . . 10 HIS HE1 . 6886 1
63 . 1 1 11 11 HIS H H 1 8.238 0.02 . 1 . . . . 11 HIS H . 6886 1
64 . 1 1 11 11 HIS HA H 1 4.496 0.02 . 1 . . . . 11 HIS HA . 6886 1
65 . 1 1 11 11 HIS HB2 H 1 3.399 0.02 . 1 . . . . 11 HIS HB2 . 6886 1
66 . 1 1 11 11 HIS HB3 H 1 3.277 0.02 . 1 . . . . 11 HIS HB3 . 6886 1
67 . 1 1 11 11 HIS HD2 H 1 7.085 0.02 . 1 . . . . 11 HIS HD2 . 6886 1
68 . 1 1 11 11 HIS HE1 H 1 8.293 0.05 . 9 . . . . 11 HIS HE1 . 6886 1
69 . 1 1 12 12 LEU H H 1 8.782 0.02 . 1 . . . . 12 LEU H . 6886 1
70 . 1 1 12 12 LEU HA H 1 4.149 0.02 . 1 . . . . 12 LEU HA . 6886 1
71 . 1 1 12 12 LEU HB2 H 1 1.946 0.02 . 1 . . . . 12 LEU HB2 . 6886 1
72 . 1 1 12 12 LEU HB3 H 1 1.900 0.02 . 1 . . . . 12 LEU HB3 . 6886 1
73 . 1 1 12 12 LEU HG H 1 1.771 0.02 . 1 . . . . 12 LEU HG . 6886 1
74 . 1 1 12 12 LEU HD11 H 1 1.010 0.02 . 1 . . . . 12 LEU HD1 . 6886 1
75 . 1 1 12 12 LEU HD12 H 1 1.010 0.02 . 1 . . . . 12 LEU HD1 . 6886 1
76 . 1 1 12 12 LEU HD13 H 1 1.010 0.02 . 1 . . . . 12 LEU HD1 . 6886 1
77 . 1 1 12 12 LEU HD21 H 1 0.957 0.02 . 1 . . . . 12 LEU HD2 . 6886 1
78 . 1 1 12 12 LEU HD22 H 1 0.957 0.02 . 1 . . . . 12 LEU HD2 . 6886 1
79 . 1 1 12 12 LEU HD23 H 1 0.957 0.02 . 1 . . . . 12 LEU HD2 . 6886 1
80 . 1 1 13 13 ALA H H 1 8.470 0.02 . 1 . . . . 13 ALA H . 6886 1
81 . 1 1 13 13 ALA HA H 1 4.308 0.02 . 1 . . . . 13 ALA HA . 6886 1
82 . 1 1 13 13 ALA HB1 H 1 1.568 0.02 . 1 . . . . 13 ALA HB . 6886 1
83 . 1 1 13 13 ALA HB2 H 1 1.568 0.02 . 1 . . . . 13 ALA HB . 6886 1
84 . 1 1 13 13 ALA HB3 H 1 1.568 0.02 . 1 . . . . 13 ALA HB . 6886 1
85 . 1 1 14 14 HIS H H 1 7.840 0.05 . 9 . . . . 14 HIS H . 6886 1
86 . 1 1 14 14 HIS HA H 1 4.323 0.02 . 1 . . . . 14 HIS HA . 6886 1
87 . 1 1 14 14 HIS HB2 H 1 3.361 0.02 . 1 . . . . 14 HIS HB2 . 6886 1
88 . 1 1 14 14 HIS HB3 H 1 3.293 0.02 . 1 . . . . 14 HIS HB3 . 6886 1
89 . 1 1 14 14 HIS HD2 H 1 7.092 0.02 . 1 . . . . 14 HIS HD2 . 6886 1
90 . 1 1 14 14 HIS HE1 H 1 8.293 0.02 . 1 . . . . 14 HIS HE1 . 6886 1
91 . 1 1 15 15 LEU H H 1 8.286 0.02 . 1 . . . . 15 LEU H . 6886 1
92 . 1 1 15 15 LEU HA H 1 4.150 0.02 . 1 . . . . 15 LEU HA . 6886 1
93 . 1 1 15 15 LEU HB2 H 1 2.007 0.02 . 1 . . . . 15 LEU HB2 . 6886 1
94 . 1 1 15 15 LEU HB3 H 1 1.942 0.02 . 1 . . . . 15 LEU HB3 . 6886 1
95 . 1 1 15 15 LEU HG H 1 1.823 0.02 . 1 . . . . 15 LEU HG . 6886 1
96 . 1 1 15 15 LEU HD11 H 1 1.017 0.02 . 1 . . . . 15 LEU HD1 . 6886 1
97 . 1 1 15 15 LEU HD12 H 1 1.017 0.02 . 1 . . . . 15 LEU HD1 . 6886 1
98 . 1 1 15 15 LEU HD13 H 1 1.017 0.02 . 1 . . . . 15 LEU HD1 . 6886 1
99 . 1 1 15 15 LEU HD21 H 1 9.064 0.02 . 1 . . . . 15 LEU HD2 . 6886 1
100 . 1 1 15 15 LEU HD22 H 1 9.064 0.02 . 1 . . . . 15 LEU HD2 . 6886 1
101 . 1 1 15 15 LEU HD23 H 1 9.064 0.02 . 1 . . . . 15 LEU HD2 . 6886 1
102 . 1 1 16 16 ALA H H 1 8.658 0.05 . 9 . . . . 16 ALA H . 6886 1
103 . 1 1 16 16 ALA HA H 1 3.991 0.02 . 1 . . . . 16 ALA HA . 6886 1
104 . 1 1 16 16 ALA HB1 H 1 1.546 0.02 . 1 . . . . 16 ALA HB . 6886 1
105 . 1 1 16 16 ALA HB2 H 1 1.546 0.02 . 1 . . . . 16 ALA HB . 6886 1
106 . 1 1 16 16 ALA HB3 H 1 1.546 0.02 . 1 . . . . 16 ALA HB . 6886 1
107 . 1 1 17 17 LEU H H 1 8.095 0.02 . 1 . . . . 17 LEU H . 6886 1
108 . 1 1 17 17 LEU HA H 1 4.083 0.02 . 1 . . . . 17 LEU HA . 6886 1
109 . 1 1 17 17 LEU HB2 H 1 1.948 0.02 . 1 . . . . 17 LEU HB2 . 6886 1
110 . 1 1 17 17 LEU HB3 H 1 1.881 0.02 . 1 . . . . 17 LEU HB3 . 6886 1
111 . 1 1 17 17 LEU HG H 1 1.730 0.02 . 1 . . . . 17 LEU HG . 6886 1
112 . 1 1 17 17 LEU HD21 H 1 0.970 0.03 . 2 . . . . 17 LEU HD2 . 6886 1
113 . 1 1 17 17 LEU HD22 H 1 0.970 0.03 . 2 . . . . 17 LEU HD2 . 6886 1
114 . 1 1 17 17 LEU HD23 H 1 0.970 0.03 . 2 . . . . 17 LEU HD2 . 6886 1
115 . 1 1 18 18 HIS H H 1 8.014 0.02 . 1 . . . . 18 HIS H . 6886 1
116 . 1 1 18 18 HIS HA H 1 4.317 0.02 . 1 . . . . 18 HIS HA . 6886 1
117 . 1 1 18 18 HIS HB2 H 1 3.347 0.02 . 1 . . . . 18 HIS HB2 . 6886 1
118 . 1 1 18 18 HIS HB3 H 1 3.285 0.02 . 1 . . . . 18 HIS HB3 . 6886 1
119 . 1 1 18 18 HIS HD2 H 1 7.029 0.02 . 1 . . . . 18 HIS HD2 . 6886 1
120 . 1 1 18 18 HIS HE1 H 1 8.300 0.02 . 1 . . . . 18 HIS HE1 . 6886 1
121 . 1 1 19 19 LEU H H 1 8.511 0.05 . 9 . . . . 19 LEU H . 6886 1
122 . 1 1 19 19 LEU HA H 1 4.139 0.05 . 9 . . . . 19 LEU HA . 6886 1
123 . 1 1 19 19 LEU HB2 H 1 1.998 0.02 . 1 . . . . 19 LEU HB2 . 6886 1
124 . 1 1 19 19 LEU HB3 H 1 1.858 0.02 . 1 . . . . 19 LEU HB3 . 6886 1
125 . 1 1 19 19 LEU HG H 1 1.644 0.02 . 1 . . . . 19 LEU HG . 6886 1
126 . 1 1 19 19 LEU HD11 H 1 1.047 0.02 . 1 . . . . 19 LEU HD1 . 6886 1
127 . 1 1 19 19 LEU HD12 H 1 1.047 0.02 . 1 . . . . 19 LEU HD1 . 6886 1
128 . 1 1 19 19 LEU HD13 H 1 1.047 0.02 . 1 . . . . 19 LEU HD1 . 6886 1
129 . 1 1 19 19 LEU HD21 H 1 0.986 0.02 . 1 . . . . 19 LEU HD2 . 6886 1
130 . 1 1 19 19 LEU HD22 H 1 0.986 0.02 . 1 . . . . 19 LEU HD2 . 6886 1
131 . 1 1 19 19 LEU HD23 H 1 0.986 0.02 . 1 . . . . 19 LEU HD2 . 6886 1
132 . 1 1 20 20 ALA H H 1 8.601 0.02 . 1 . . . . 20 ALA H . 6886 1
133 . 1 1 20 20 ALA HA H 1 4.131 0.02 . 1 . . . . 20 ALA HA . 6886 1
134 . 1 1 20 20 ALA HB1 H 1 1.591 0.02 . 1 . . . . 20 ALA HB . 6886 1
135 . 1 1 20 20 ALA HB2 H 1 1.591 0.02 . 1 . . . . 20 ALA HB . 6886 1
136 . 1 1 20 20 ALA HB3 H 1 1.591 0.02 . 1 . . . . 20 ALA HB . 6886 1
137 . 1 1 21 21 LEU H H 1 7.992 0.02 . 1 . . . . 21 LEU H . 6886 1
138 . 1 1 21 21 LEU HA H 1 4.194 0.02 . 1 . . . . 21 LEU HA . 6886 1
139 . 1 1 21 21 LEU HB2 H 1 1.948 0.02 . 1 . . . . 21 LEU HB2 . 6886 1
140 . 1 1 21 21 LEU HB3 H 1 1.842 0.02 . 1 . . . . 21 LEU HB3 . 6886 1
141 . 1 1 21 21 LEU HG H 1 1.791 0.02 . 1 . . . . 21 LEU HG . 6886 1
142 . 1 1 21 21 LEU HD11 H 1 1.017 0.02 . 1 . . . . 21 LEU HD1 . 6886 1
143 . 1 1 21 21 LEU HD12 H 1 1.017 0.02 . 1 . . . . 21 LEU HD1 . 6886 1
144 . 1 1 21 21 LEU HD13 H 1 1.017 0.02 . 1 . . . . 21 LEU HD1 . 6886 1
145 . 1 1 21 21 LEU HD21 H 1 0.964 0.02 . 1 . . . . 21 LEU HD2 . 6886 1
146 . 1 1 21 21 LEU HD22 H 1 0.964 0.02 . 1 . . . . 21 LEU HD2 . 6886 1
147 . 1 1 21 21 LEU HD23 H 1 0.964 0.02 . 1 . . . . 21 LEU HD2 . 6886 1
148 . 1 1 22 22 ALA H H 1 7.832 0.05 . 9 . . . . 22 ALA H . 6886 1
149 . 1 1 22 22 ALA HA H 1 4.066 0.02 . 1 . . . . 22 ALA HA . 6886 1
150 . 1 1 22 22 ALA HB1 H 1 1.580 0.02 . 1 . . . . 22 ALA HB . 6886 1
151 . 1 1 22 22 ALA HB2 H 1 1.580 0.02 . 1 . . . . 22 ALA HB . 6886 1
152 . 1 1 22 22 ALA HB3 H 1 1.580 0.02 . 1 . . . . 22 ALA HB . 6886 1
153 . 1 1 23 23 LEU H H 1 8.644 0.05 . 9 . . . . 23 LEU H . 6886 1
154 . 1 1 23 23 LEU HA H 1 4.358 0.02 . 1 . . . . 23 LEU HA . 6886 1
155 . 1 1 23 23 LEU HB2 H 1 1.888 0.04 . 5 . . . . 23 LEU HB2 . 6886 1
156 . 1 1 23 23 LEU HD21 H 1 0.997 0.04 . 5 . . . . 23 LEU HD2 . 6886 1
157 . 1 1 23 23 LEU HD22 H 1 0.997 0.04 . 5 . . . . 23 LEU HD2 . 6886 1
158 . 1 1 23 23 LEU HD23 H 1 0.997 0.04 . 5 . . . . 23 LEU HD2 . 6886 1
159 . 1 1 25 25 LYS HA H 1 4.097 0.02 . 1 . . . . 25 LYS HA . 6886 1
160 . 1 1 25 25 LYS HE2 H 1 3.030 0.03 . 2 . . . . 25 LYS HE2 . 6886 1
161 . 1 1 26 26 ALA H H 1 7.854 0.02 . 1 . . . . 26 ALA H . 6886 1
162 . 1 1 26 26 ALA HA H 1 4.233 0.02 . 1 . . . . 26 ALA HA . 6886 1
163 . 1 1 26 26 ALA HB1 H 1 1.546 0.02 . 1 . . . . 26 ALA HB . 6886 1
164 . 1 1 26 26 ALA HB2 H 1 1.546 0.02 . 1 . . . . 26 ALA HB . 6886 1
165 . 1 1 26 26 ALA HB3 H 1 1.546 0.02 . 1 . . . . 26 ALA HB . 6886 1
stop_
save_
###################################
# 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_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 6886
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6886 2
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 3 3 ALA HA H 1 3.915 0.02 . 1 . . . . 3 ALA HA . 6886 2
2 . 1 1 3 3 ALA HB1 H 1 1.460 0.02 . 1 . . . . 3 ALA HB . 6886 2
3 . 1 1 3 3 ALA HB2 H 1 1.460 0.02 . 1 . . . . 3 ALA HB . 6886 2
4 . 1 1 3 3 ALA HB3 H 1 1.460 0.02 . 1 . . . . 3 ALA HB . 6886 2
5 . 1 1 4 4 LEU H H 1 8.204 0.02 . 1 . . . . 4 LEU H . 6886 2
6 . 1 1 4 4 LEU HA H 1 4.055 0.02 . 1 . . . . 4 LEU HA . 6886 2
7 . 1 1 4 4 LEU HB2 H 1 1.817 0.03 . 2 . . . . 4 LEU HB2 . 6886 2
8 . 1 1 4 4 LEU HG H 1 1.744 0.04 . 4 . . . . 4 LEU HG . 6886 2
9 . 1 1 4 4 LEU HD21 H 1 0.848 0.03 . 2 . . . . 4 LEU HD2 . 6886 2
10 . 1 1 4 4 LEU HD22 H 1 0.848 0.03 . 2 . . . . 4 LEU HD2 . 6886 2
11 . 1 1 4 4 LEU HD23 H 1 0.848 0.03 . 2 . . . . 4 LEU HD2 . 6886 2
12 . 1 1 5 5 LEU H H 1 7.890 0.02 . 1 . . . . 5 LEU H . 6886 2
13 . 1 1 5 5 LEU HA H 1 3.908 0.02 . 1 . . . . 5 LEU HA . 6886 2
14 . 1 1 5 5 LEU HB2 H 1 1.809 0.02 . 1 . . . . 5 LEU HB2 . 6886 2
15 . 1 1 5 5 LEU HB3 H 1 1.696 0.02 . 1 . . . . 5 LEU HB3 . 6886 2
16 . 1 1 5 5 LEU HG H 1 1.592 0.02 . 1 . . . . 5 LEU HG . 6886 2
17 . 1 1 5 5 LEU HD11 H 1 0.887 0.02 . 1 . . . . 5 LEU HD1 . 6886 2
18 . 1 1 5 5 LEU HD12 H 1 0.887 0.02 . 1 . . . . 5 LEU HD1 . 6886 2
19 . 1 1 5 5 LEU HD13 H 1 0.887 0.02 . 1 . . . . 5 LEU HD1 . 6886 2
20 . 1 1 5 5 LEU HD21 H 1 0.832 0.02 . 1 . . . . 5 LEU HD2 . 6886 2
21 . 1 1 5 5 LEU HD22 H 1 0.832 0.02 . 1 . . . . 5 LEU HD2 . 6886 2
22 . 1 1 5 5 LEU HD23 H 1 0.832 0.02 . 1 . . . . 5 LEU HD2 . 6886 2
23 . 1 1 6 6 ALA H H 1 7.828 0.02 . 1 . . . . 6 ALA H . 6886 2
24 . 1 1 6 6 ALA HA H 1 3.984 0.02 . 1 . . . . 6 ALA HA . 6886 2
25 . 1 1 6 6 ALA HB1 H 1 1.466 0.02 . 1 . . . . 6 ALA HB . 6886 2
26 . 1 1 6 6 ALA HB2 H 1 1.466 0.02 . 1 . . . . 6 ALA HB . 6886 2
27 . 1 1 6 6 ALA HB3 H 1 1.466 0.02 . 1 . . . . 6 ALA HB . 6886 2
28 . 1 1 7 7 LEU H H 1 7.776 0.02 . 1 . . . . 7 LEU H . 6886 2
29 . 1 1 7 7 LEU HA H 1 4.130 0.02 . 1 . . . . 7 LEU HA . 6886 2
30 . 1 1 7 7 LEU HB2 H 1 1.799 0.02 . 1 . . . . 7 LEU HB2 . 6886 2
31 . 1 1 7 7 LEU HB3 H 1 1.708 0.02 . 1 . . . . 7 LEU HB3 . 6886 2
32 . 1 1 7 7 LEU HG H 1 1.578 0.02 . 1 . . . . 7 LEU HG . 6886 2
33 . 1 1 7 7 LEU HD11 H 1 0.946 0.03 . 2 . . . . 7 LEU HD1 . 6886 2
34 . 1 1 7 7 LEU HD12 H 1 0.946 0.03 . 2 . . . . 7 LEU HD1 . 6886 2
35 . 1 1 7 7 LEU HD13 H 1 0.946 0.03 . 2 . . . . 7 LEU HD1 . 6886 2
36 . 1 1 7 7 LEU HD21 H 1 0.911 0.03 . 2 . . . . 7 LEU HD2 . 6886 2
37 . 1 1 7 7 LEU HD22 H 1 0.911 0.03 . 2 . . . . 7 LEU HD2 . 6886 2
38 . 1 1 7 7 LEU HD23 H 1 0.911 0.03 . 2 . . . . 7 LEU HD2 . 6886 2
39 . 1 1 8 8 ALA H H 1 8.431 0.02 . 1 . . . . 8 ALA H . 6886 2
40 . 1 1 8 8 ALA HA H 1 4.051 0.02 . 1 . . . . 8 ALA HA . 6886 2
41 . 1 1 8 8 ALA HB1 H 1 1.475 0.02 . 1 . . . . 8 ALA HB . 6886 2
42 . 1 1 8 8 ALA HB2 H 1 1.475 0.02 . 1 . . . . 8 ALA HB . 6886 2
43 . 1 1 8 8 ALA HB3 H 1 1.475 0.02 . 1 . . . . 8 ALA HB . 6886 2
44 . 1 1 9 9 LEU H H 1 8.484 0.02 . 1 . . . . 9 LEU H . 6886 2
45 . 1 1 9 9 LEU HA H 1 3.987 0.02 . 1 . . . . 9 LEU HA . 6886 2
46 . 1 1 9 9 LEU HB2 H 1 1.862 0.02 . 1 . . . . 9 LEU HB2 . 6886 2
47 . 1 1 9 9 LEU HB3 H 1 1.672 0.02 . 1 . . . . 9 LEU HB3 . 6886 2
48 . 1 1 9 9 LEU HG H 1 1.557 0.02 . 1 . . . . 9 LEU HG . 6886 2
49 . 1 1 9 9 LEU HD21 H 1 0.857 0.03 . 2 . . . . 9 LEU HD2 . 6886 2
50 . 1 1 9 9 LEU HD22 H 1 0.857 0.03 . 2 . . . . 9 LEU HD2 . 6886 2
51 . 1 1 9 9 LEU HD23 H 1 0.857 0.03 . 2 . . . . 9 LEU HD2 . 6886 2
52 . 1 1 10 10 HIS H H 1 8.109 0.02 . 1 . . . . 10 HIS H . 6886 2
53 . 1 1 10 10 HIS HA H 1 4.181 0.02 . 1 . . . . 10 HIS HA . 6886 2
54 . 1 1 10 10 HIS HB2 H 1 3.268 0.02 . 1 . . . . 10 HIS HB2 . 6886 2
55 . 1 1 10 10 HIS HB3 H 1 3.163 0.02 . 1 . . . . 10 HIS HB3 . 6886 2
56 . 1 1 10 10 HIS HD2 H 1 6.236 0.02 . 1 . . . . 10 HIS HD2 . 6886 2
57 . 1 1 11 11 HIS H H 1 8.028 0.02 . 1 . . . . 11 HIS H . 6886 2
58 . 1 1 11 11 HIS HA H 1 4.386 0.02 . 1 . . . . 11 HIS HA . 6886 2
59 . 1 1 11 11 HIS HB2 H 1 3.264 0.02 . 1 . . . . 11 HIS HB2 . 6886 2
60 . 1 1 11 11 HIS HB3 H 1 3.125 0.02 . 1 . . . . 11 HIS HB3 . 6886 2
61 . 1 1 11 11 HIS HD2 H 1 6.906 0.02 . 1 . . . . 11 HIS HD2 . 6886 2
62 . 1 1 12 12 LEU H H 1 8.639 0.02 . 1 . . . . 12 LEU H . 6886 2
63 . 1 1 12 12 LEU HA H 1 4.084 0.02 . 1 . . . . 12 LEU HA . 6886 2
64 . 1 1 12 12 LEU HB2 H 1 1.854 0.02 . 1 . . . . 12 LEU HB2 . 6886 2
65 . 1 1 12 12 LEU HB3 H 1 1.803 0.02 . 1 . . . . 12 LEU HB3 . 6886 2
66 . 1 1 12 12 LEU HG H 1 1.629 0.02 . 1 . . . . 12 LEU HG . 6886 2
67 . 1 1 12 12 LEU HD21 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2
68 . 1 1 12 12 LEU HD22 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2
69 . 1 1 12 12 LEU HD23 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2
70 . 1 1 13 13 ALA H H 1 8.343 0.02 . 1 . . . . 13 ALA H . 6886 2
71 . 1 1 13 13 ALA HA H 1 3.901 0.02 . 1 . . . . 13 ALA HA . 6886 2
72 . 1 1 13 13 ALA HB1 H 1 1.437 0.02 . 1 . . . . 13 ALA HB . 6886 2
73 . 1 1 13 13 ALA HB2 H 1 1.437 0.02 . 1 . . . . 13 ALA HB . 6886 2
74 . 1 1 13 13 ALA HB3 H 1 1.437 0.02 . 1 . . . . 13 ALA HB . 6886 2
75 . 1 1 14 14 HIS H H 1 7.685 0.02 . 1 . . . . 14 HIS H . 6886 2
76 . 1 1 14 14 HIS HA H 1 4.219 0.02 . 1 . . . . 14 HIS HA . 6886 2
77 . 1 1 14 14 HIS HB2 H 1 3.182 0.02 . 1 . . . . 14 HIS HB2 . 6886 2
78 . 1 1 14 14 HIS HB3 H 1 3.111 0.02 . 1 . . . . 14 HIS HB3 . 6886 2
79 . 1 1 14 14 HIS HD2 H 1 6.769 0.02 . 1 . . . . 14 HIS HD2 . 6886 2
80 . 1 1 15 15 LEU H H 1 8.160 0.02 . 1 . . . . 15 LEU H . 6886 2
81 . 1 1 15 15 LEU HA H 1 4.073 0.02 . 1 . . . . 15 LEU HA . 6886 2
82 . 1 1 15 15 LEU HB2 H 1 1.812 0.02 . 1 . . . . 15 LEU HB2 . 6886 2
83 . 1 1 15 15 LEU HB3 H 1 1.703 0.02 . 1 . . . . 15 LEU HB3 . 6886 2
84 . 1 1 15 15 LEU HG H 1 1.613 0.02 . 1 . . . . 15 LEU HG . 6886 2
85 . 1 1 15 15 LEU HD11 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2
86 . 1 1 15 15 LEU HD12 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2
87 . 1 1 15 15 LEU HD13 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2
88 . 1 1 15 15 LEU HD21 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2
89 . 1 1 15 15 LEU HD22 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2
90 . 1 1 15 15 LEU HD23 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2
91 . 1 1 16 16 ALA H H 1 8.545 0.02 . 1 . . . . 16 ALA H . 6886 2
92 . 1 1 16 16 ALA HA H 1 3.887 0.02 . 1 . . . . 16 ALA HA . 6886 2
93 . 1 1 16 16 ALA HB1 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 6886 2
94 . 1 1 16 16 ALA HB2 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 6886 2
95 . 1 1 16 16 ALA HB3 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 6886 2
96 . 1 1 17 17 LEU H H 1 7.946 0.02 . 1 . . . . 17 LEU H . 6886 2
97 . 1 1 17 17 LEU HA H 1 4.215 0.05 . 9 . . . . 17 LEU HA . 6886 2
98 . 1 1 17 17 LEU HB2 H 1 1.760 0.02 . 1 . . . . 17 LEU HB2 . 6886 2
99 . 1 1 17 17 LEU HB3 H 1 1.636 0.02 . 1 . . . . 17 LEU HB3 . 6886 2
100 . 1 1 17 17 LEU HG H 1 1.544 0.02 . 1 . . . . 17 LEU HG . 6886 2
101 . 1 1 17 17 LEU HD21 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2
102 . 1 1 17 17 LEU HD22 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2
103 . 1 1 17 17 LEU HD23 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2
104 . 1 1 18 18 HIS H H 1 7.843 0.02 . 1 . . . . 18 HIS H . 6886 2
105 . 1 1 18 18 HIS HA H 1 4.200 0.02 . 1 . . . . 18 HIS HA . 6886 2
106 . 1 1 18 18 HIS HB2 H 1 3.121 0.02 . 1 . . . . 18 HIS HB2 . 6886 2
107 . 1 1 18 18 HIS HB3 H 1 3.088 0.02 . 1 . . . . 18 HIS HB3 . 6886 2
108 . 1 1 18 18 HIS HD2 H 1 6.727 0.02 . 1 . . . . 18 HIS HD2 . 6886 2
109 . 1 1 19 19 LEU H H 1 8.411 0.02 . 1 . . . . 19 LEU H . 6886 2
110 . 1 1 19 19 LEU HA H 1 3.903 0.02 . 1 . . . . 19 LEU HA . 6886 2
111 . 1 1 19 19 LEU HB2 H 1 1.785 0.02 . 1 . . . . 19 LEU HB2 . 6886 2
112 . 1 1 19 19 LEU HB3 H 1 1.709 0.02 . 1 . . . . 19 LEU HB3 . 6886 2
113 . 1 1 19 19 LEU HG H 1 1.678 0.02 . 1 . . . . 19 LEU HG . 6886 2
114 . 1 1 19 19 LEU HD21 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2
115 . 1 1 19 19 LEU HD22 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2
116 . 1 1 19 19 LEU HD23 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2
117 . 1 1 20 20 ALA H H 1 8.077 0.02 . 1 . . . . 20 ALA H . 6886 2
118 . 1 1 20 20 ALA HA H 1 4.211 0.02 . 1 . . . . 20 ALA HA . 6886 2
119 . 1 1 20 20 ALA HB1 H 1 1.469 0.02 . 1 . . . . 20 ALA HB . 6886 2
120 . 1 1 20 20 ALA HB2 H 1 1.469 0.02 . 1 . . . . 20 ALA HB . 6886 2
121 . 1 1 20 20 ALA HB3 H 1 1.469 0.02 . 1 . . . . 20 ALA HB . 6886 2
122 . 1 1 21 21 LEU H H 1 8.225 0.02 . 1 . . . . 21 LEU H . 6886 2
123 . 1 1 21 21 LEU HA H 1 3.991 0.02 . 1 . . . . 21 LEU HA . 6886 2
124 . 1 1 21 21 LEU HB2 H 1 1.816 0.02 . 1 . . . . 21 LEU HB2 . 6886 2
125 . 1 1 21 21 LEU HB3 H 1 1.696 0.02 . 1 . . . . 21 LEU HB3 . 6886 2
126 . 1 1 21 21 LEU HG H 1 1.551 0.02 . 1 . . . . 21 LEU HG . 6886 2
127 . 1 1 21 21 LEU HD11 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2
128 . 1 1 21 21 LEU HD12 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2
129 . 1 1 21 21 LEU HD13 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2
130 . 1 1 21 21 LEU HD21 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2
131 . 1 1 21 21 LEU HD22 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2
132 . 1 1 21 21 LEU HD23 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2
133 . 1 1 22 22 ALA H H 1 7.808 0.02 . 1 . . . . 22 ALA H . 6886 2
134 . 1 1 22 22 ALA HA H 1 4.041 0.02 . 1 . . . . 22 ALA HA . 6886 2
135 . 1 1 22 22 ALA HB1 H 1 1.465 0.02 . 1 . . . . 22 ALA HB . 6886 2
136 . 1 1 22 22 ALA HB2 H 1 1.465 0.02 . 1 . . . . 22 ALA HB . 6886 2
137 . 1 1 22 22 ALA HB3 H 1 1.465 0.02 . 1 . . . . 22 ALA HB . 6886 2
138 . 1 1 23 23 LEU H H 1 7.920 0.02 . 1 . . . . 23 LEU H . 6886 2
139 . 1 1 23 23 LEU HA H 1 3.986 0.02 . 1 . . . . 23 LEU HA . 6886 2
140 . 1 1 23 23 LEU HB2 H 1 1.942 0.02 . 1 . . . . 23 LEU HB2 . 6886 2
141 . 1 1 23 23 LEU HB3 H 1 1.846 0.02 . 1 . . . . 23 LEU HB3 . 6886 2
142 . 1 1 23 23 LEU HG H 1 1.698 0.02 . 1 . . . . 23 LEU HG . 6886 2
143 . 1 1 23 23 LEU HD21 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2
144 . 1 1 23 23 LEU HD22 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2
145 . 1 1 23 23 LEU HD23 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2
146 . 1 1 24 24 LYS H H 1 7.753 0.02 . 1 . . . . 24 LYS H . 6886 2
147 . 1 1 24 24 LYS HA H 1 4.098 0.05 . 9 . . . . 24 LYS HA . 6886 2
148 . 1 1 24 24 LYS HB2 H 1 1.942 0.03 . 2 . . . . 24 LYS HB2 . 6886 2
149 . 1 1 24 24 LYS HG2 H 1 1.534 0.03 . 2 . . . . 24 LYS HG2 . 6886 2
150 . 1 1 24 24 LYS HD2 H 1 1.856 0.03 . 2 . . . . 24 LYS HD2 . 6886 2
151 . 1 1 24 24 LYS HE3 H 1 2.913 0.03 . 2 . . . . 24 LYS HE3 . 6886 2
152 . 1 1 25 25 LYS HA H 1 4.089 0.05 . 9 . . . . 25 LYS HA . 6886 2
153 . 1 1 26 26 ALA H H 1 7.738 0.05 . 9 . . . . 26 ALA H . 6886 2
154 . 1 1 26 26 ALA HA H 1 4.111 0.05 . 9 . . . . 26 ALA HA . 6886 2
155 . 1 1 26 26 ALA HB1 H 1 1.427 0.02 . 1 . . . . 26 ALA HB . 6886 2
156 . 1 1 26 26 ALA HB2 H 1 1.427 0.02 . 1 . . . . 26 ALA HB . 6886 2
157 . 1 1 26 26 ALA HB3 H 1 1.427 0.02 . 1 . . . . 26 ALA HB . 6886 2
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