###################################
# 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 31003
_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 '1D 1H' . . . 31003 1
2 '2D 1H-15N HSQC' . . . 31003 1
3 '2D 1H-13C HSQC' . . . 31003 1
4 '2D 1H-13C HSQC-ed' . . . 31003 1
5 '2D 1H-1H NOESY' . . . 31003 1
6 '2D 1H-1H ROESY' . . . 31003 1
7 '2D 1H-1H COSY' . . . 31003 1
8 '2D 1H-1H TOCSY' . . . 31003 1
9 '2D 1H-13C HMBC' . . . 31003 1
10 '2D 1H-13C HSQC -OCSY' . . . 31003 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 DVA H1 H 1 6.69 0.02 . . . . . . A 1 DVA H1 . 31003 1
2 . 1 . 1 1 1 DVA C C 13 171.0 0.2 . . . . . . A 1 DVA C . 31003 1
3 . 1 . 1 1 1 DVA N N 15 114.4 0.2 . . . . . . A 1 DVA N . 31003 1
4 . 1 . 1 1 1 DVA CA C 13 54.2 0.2 . . . . . . A 1 DVA CA . 31003 1
5 . 1 . 1 1 1 DVA CB C 13 31.6 0.2 . . . . . . A 1 DVA CB . 31003 1
6 . 1 . 1 1 1 DVA CG1 C 13 17.5 0.2 . . . . . . A 1 DVA CG1 . 31003 1
7 . 1 . 1 1 1 DVA CG2 C 13 19.6 0.2 . . . . . . A 1 DVA CG2 . 31003 1
8 . 1 . 1 1 1 DVA HA H 1 4.72 0.02 . . . . . . A 1 DVA HA . 31003 1
9 . 1 . 1 1 1 DVA HB H 1 2.01 0.02 . . . . . . A 1 DVA HB . 31003 1
10 . 1 . 1 1 1 DVA HG11 H 1 0.89 0.02 . . . . . . A 1 DVA HG11 . 31003 1
11 . 1 . 1 1 1 DVA HG21 H 1 0.97 0.02 . . . . . . A 1 DVA HG21 . 31003 1
12 . 1 . 1 2 2 MLE C C 13 172.6 0.2 . . . . . . A 2 MLE C . 31003 1
13 . 1 . 1 2 2 MLE CA C 13 52.7 0.2 . . . . . . A 2 MLE CA . 31003 1
14 . 1 . 1 2 2 MLE CB C 13 37.5 0.2 . . . . . . A 2 MLE CB . 31003 1
15 . 1 . 1 2 2 MLE CD1 C 13 22.3 0.2 . . . . . . A 2 MLE CD1 . 31003 1
16 . 1 . 1 2 2 MLE CD2 C 13 23.2 0.2 . . . . . . A 2 MLE CD2 . 31003 1
17 . 1 . 1 2 2 MLE CG C 13 24.8 0.2 . . . . . . A 2 MLE CG . 31003 1
18 . 1 . 1 2 2 MLE CN C 13 31.0 0.2 . . . . . . A 2 MLE CN . 31003 1
19 . 1 . 1 2 2 MLE HA H 1 5.31 0.02 . . . . . . A 2 MLE HA . 31003 1
20 . 1 . 1 2 2 MLE HB2 H 1 1.70 0.02 . . . . . . A 2 MLE HB2 . 31003 1
21 . 1 . 1 2 2 MLE HB3 H 1 1.64 0.02 . . . . . . A 2 MLE HB3 . 31003 1
22 . 1 . 1 2 2 MLE HD11 H 1 0.93 0.02 . . . . . . A 2 MLE HD11 . 31003 1
23 . 1 . 1 2 2 MLE HD21 H 1 0.97 0.02 . . . . . . A 2 MLE HD21 . 31003 1
24 . 1 . 1 2 2 MLE HG H 1 1.46 0.02 . . . . . . A 2 MLE HG . 31003 1
25 . 1 . 1 2 2 MLE HN1 H 1 3.13 0.02 . . . . . . A 2 MLE HN1 . 31003 1
26 . 1 . 1 3 3 DPR C C 13 170.9 0.2 . . . . . . A 3 DPR C . 31003 1
27 . 1 . 1 3 3 DPR CA C 13 60.0 0.2 . . . . . . A 3 DPR CA . 31003 1
28 . 1 . 1 3 3 DPR CB C 13 27.5 0.2 . . . . . . A 3 DPR CB . 31003 1
29 . 1 . 1 3 3 DPR CD C 13 47.3 0.2 . . . . . . A 3 DPR CD . 31003 1
30 . 1 . 1 3 3 DPR CG C 13 24.7 0.2 . . . . . . A 3 DPR CG . 31003 1
31 . 1 . 1 3 3 DPR HA H 1 4.64 0.02 . . . . . . A 3 DPR HA . 31003 1
32 . 1 . 1 3 3 DPR HB2 H 1 1.95 0.02 . . . . . . A 3 DPR HB2 . 31003 1
33 . 1 . 1 3 3 DPR HB3 H 1 2.36 0.02 . . . . . . A 3 DPR HB3 . 31003 1
34 . 1 . 1 3 3 DPR HD2 H 1 3.54 0.02 . . . . . . A 3 DPR HD2 . 31003 1
35 . 1 . 1 3 3 DPR HD3 H 1 3.63 0.02 . . . . . . A 3 DPR HD3 . 31003 1
36 . 1 . 1 3 3 DPR HG2 H 1 2.03 0.02 . . . . . . A 3 DPR HG2 . 31003 1
37 . 1 . 1 3 3 DPR HG3 H 1 1.94 0.02 . . . . . . A 3 DPR HG3 . 31003 1
38 . 1 . 1 4 4 LEU H H 1 7.14 0.02 . . . . . . A 4 LEU H . 31003 1
39 . 1 . 1 4 4 LEU HA H 1 4.38 0.02 . . . . . . A 4 LEU HA . 31003 1
40 . 1 . 1 4 4 LEU HB2 H 1 1.50 0.02 . . . . . . A 4 LEU HB2 . 31003 1
41 . 1 . 1 4 4 LEU HB3 H 1 1.50 0.02 . . . . . . A 4 LEU HB3 . 31003 1
42 . 1 . 1 4 4 LEU HG H 1 1.61 0.02 . . . . . . A 4 LEU HG . 31003 1
43 . 1 . 1 4 4 LEU HD11 H 1 0.90 0.02 . . . . . . A 4 LEU HD11 . 31003 1
44 . 1 . 1 4 4 LEU HD12 H 1 0.90 0.02 . . . . . . A 4 LEU HD12 . 31003 1
45 . 1 . 1 4 4 LEU HD13 H 1 0.90 0.02 . . . . . . A 4 LEU HD13 . 31003 1
46 . 1 . 1 4 4 LEU HD21 H 1 0.91 0.02 . . . . . . A 4 LEU HD21 . 31003 1
47 . 1 . 1 4 4 LEU HD22 H 1 0.91 0.02 . . . . . . A 4 LEU HD22 . 31003 1
48 . 1 . 1 4 4 LEU HD23 H 1 0.91 0.02 . . . . . . A 4 LEU HD23 . 31003 1
49 . 1 . 1 4 4 LEU C C 13 171.7 0.2 . . . . . . A 4 LEU C . 31003 1
50 . 1 . 1 4 4 LEU CA C 13 52.0 0.2 . . . . . . A 4 LEU CA . 31003 1
51 . 1 . 1 4 4 LEU CB C 13 40.7 0.2 . . . . . . A 4 LEU CB . 31003 1
52 . 1 . 1 4 4 LEU CG C 13 24.5 0.2 . . . . . . A 4 LEU CG . 31003 1
53 . 1 . 1 4 4 LEU CD1 C 13 21.7 0.2 . . . . . . A 4 LEU CD1 . 31003 1
54 . 1 . 1 4 4 LEU CD2 C 13 23.0 0.2 . . . . . . A 4 LEU CD2 . 31003 1
55 . 1 . 1 4 4 LEU N N 15 118.7 0.2 . . . . . . A 4 LEU N . 31003 1
56 . 2 . 1 1 1 DVA H1 H 1 7.37 0.02 . . . . . . B 21 DVA H1 . 31003 1
57 . 2 . 1 1 1 DVA C C 13 168.1 0.2 . . . . . . B 21 DVA C . 31003 1
58 . 2 . 1 1 1 DVA N N 15 117.1 0.2 . . . . . . B 21 DVA N . 31003 1
59 . 2 . 1 1 1 DVA CA C 13 55.8 0.2 . . . . . . B 21 DVA CA . 31003 1
60 . 2 . 1 1 1 DVA CB C 13 29.3 0.2 . . . . . . B 21 DVA CB . 31003 1
61 . 2 . 1 1 1 DVA CG1 C 13 18.5 0.2 . . . . . . B 21 DVA CG1 . 31003 1
62 . 2 . 1 1 1 DVA CG2 C 13 19.6 0.2 . . . . . . B 21 DVA CG2 . 31003 1
63 . 2 . 1 1 1 DVA HA H 1 4.28 0.02 . . . . . . B 21 DVA HA . 31003 1
64 . 2 . 1 1 1 DVA HB H 1 2.30 0.02 . . . . . . B 21 DVA HB . 31003 1
65 . 2 . 1 1 1 DVA HG11 H 1 1.00 0.02 . . . . . . B 21 DVA HG11 . 31003 1
66 . 2 . 1 1 1 DVA HG21 H 1 0.97 0.02 . . . . . . B 21 DVA HG21 . 31003 1
67 . 2 . 1 2 2 MLE C C 13 172.0 0.2 . . . . . . B 22 MLE C . 31003 1
68 . 2 . 1 2 2 MLE CA C 13 53.39 0.2 . . . . . . B 22 MLE CA . 31003 1
69 . 2 . 1 2 2 MLE CB C 13 38.30 0.2 . . . . . . B 22 MLE CB . 31003 1
70 . 2 . 1 2 2 MLE CD1 C 13 22.4 0.2 . . . . . . B 22 MLE CD1 . 31003 1
71 . 2 . 1 2 2 MLE CD2 C 13 23.2 0.2 . . . . . . B 22 MLE CD2 . 31003 1
72 . 2 . 1 2 2 MLE CG C 13 24.7 0.2 . . . . . . B 22 MLE CG . 31003 1
73 . 2 . 1 2 2 MLE CN C 13 30.6 0.2 . . . . . . B 22 MLE CN . 31003 1
74 . 2 . 1 2 2 MLE HA H 1 5.25 0.02 . . . . . . B 22 MLE HA . 31003 1
75 . 2 . 1 2 2 MLE HB2 H 1 1.14 0.02 . . . . . . B 22 MLE HB2 . 31003 1
76 . 2 . 1 2 2 MLE HB3 H 1 2.00 0.02 . . . . . . B 22 MLE HB3 . 31003 1
77 . 2 . 1 2 2 MLE HD11 H 1 0.87 0.02 . . . . . . B 22 MLE HD11 . 31003 1
78 . 2 . 1 2 2 MLE HD21 H 1 0.88 0.02 . . . . . . B 22 MLE HD21 . 31003 1
79 . 2 . 1 2 2 MLE HG H 1 1.51 0.02 . . . . . . B 22 MLE HG . 31003 1
80 . 2 . 1 2 2 MLE HN1 H 1 3.00 0.02 . . . . . . B 22 MLE HN1 . 31003 1
81 . 2 . 1 3 3 DPR C C 13 171.9 0.2 . . . . . . B 23 DPR C . 31003 1
82 . 2 . 1 3 3 DPR CA C 13 58.7 0.2 . . . . . . B 23 DPR CA . 31003 1
83 . 2 . 1 3 3 DPR CB C 13 33.7 0.2 . . . . . . B 23 DPR CB . 31003 1
84 . 2 . 1 3 3 DPR CD C 13 47.8 0.2 . . . . . . B 23 DPR CD . 31003 1
85 . 2 . 1 3 3 DPR CG C 13 22.2 0.2 . . . . . . B 23 DPR CG . 31003 1
86 . 2 . 1 3 3 DPR HA H 1 4.30 0.02 . . . . . . B 23 DPR HA . 31003 1
87 . 2 . 1 3 3 DPR HB2 H 1 1.95 0.02 . . . . . . B 23 DPR HB2 . 31003 1
88 . 2 . 1 3 3 DPR HB3 H 1 2.40 0.02 . . . . . . B 23 DPR HB3 . 31003 1
89 . 2 . 1 3 3 DPR HD2 H 1 3.54 0.02 . . . . . . B 23 DPR HD2 . 31003 1
90 . 2 . 1 3 3 DPR HD3 H 1 3.73 0.02 . . . . . . B 23 DPR HD3 . 31003 1
91 . 2 . 1 3 3 DPR HG2 H 1 1.77 0.02 . . . . . . B 23 DPR HG2 . 31003 1
92 . 2 . 1 3 3 DPR HG3 H 1 1.86 0.02 . . . . . . B 23 DPR HG3 . 31003 1
93 . 2 . 1 4 4 LEU H H 1 5.00 0.02 . . . . . . B 24 LEU H . 31003 1
94 . 2 . 1 4 4 LEU HA H 1 4.87 0.02 . . . . . . B 24 LEU HA . 31003 1
95 . 2 . 1 4 4 LEU HB2 H 1 1.37 0.02 . . . . . . B 24 LEU HB2 . 31003 1
96 . 2 . 1 4 4 LEU HB3 H 1 2.08 0.02 . . . . . . B 24 LEU HB3 . 31003 1
97 . 2 . 1 4 4 LEU HG H 1 1.47 0.02 . . . . . . B 24 LEU HG . 31003 1
98 . 2 . 1 4 4 LEU HD11 H 1 0.93 0.02 . . . . . . B 24 LEU HD11 . 31003 1
99 . 2 . 1 4 4 LEU HD12 H 1 0.93 0.02 . . . . . . B 24 LEU HD12 . 31003 1
100 . 2 . 1 4 4 LEU HD13 H 1 0.93 0.02 . . . . . . B 24 LEU HD13 . 31003 1
101 . 2 . 1 4 4 LEU HD21 H 1 0.92 0.02 . . . . . . B 24 LEU HD21 . 31003 1
102 . 2 . 1 4 4 LEU HD22 H 1 0.92 0.02 . . . . . . B 24 LEU HD22 . 31003 1
103 . 2 . 1 4 4 LEU HD23 H 1 0.92 0.02 . . . . . . B 24 LEU HD23 . 31003 1
104 . 2 . 1 4 4 LEU C C 13 172.3 0.2 . . . . . . B 24 LEU C . 31003 1
105 . 2 . 1 4 4 LEU CA C 13 50.9 0.2 . . . . . . B 24 LEU CA . 31003 1
106 . 2 . 1 4 4 LEU CB C 13 42.6 0.2 . . . . . . B 24 LEU CB . 31003 1
107 . 2 . 1 4 4 LEU CG C 13 25.1 0.2 . . . . . . B 24 LEU CG . 31003 1
108 . 2 . 1 4 4 LEU CD1 C 13 21.0 0.2 . . . . . . B 24 LEU CD1 . 31003 1
109 . 2 . 1 4 4 LEU CD2 C 13 24.3 0.2 . . . . . . B 24 LEU CD2 . 31003 1
110 . 2 . 1 4 4 LEU N N 15 112.4 0.2 . . . . . . B 24 LEU N . 31003 1
111 . 2 . 1 5 5 DVA H H 1 8.65 0.02 . . . . . . B 25 DVA H . 31003 1
112 . 2 . 1 5 5 DVA C C 13 176.7 0.2 . . . . . . B 25 DVA C . 31003 1
113 . 2 . 1 5 5 DVA N N 15 116.8 0.2 . . . . . . B 25 DVA N . 31003 1
114 . 2 . 1 5 5 DVA CA C 13 56.7 0.2 . . . . . . B 25 DVA CA . 31003 1
115 . 2 . 1 5 5 DVA CB C 13 31.5 0.2 . . . . . . B 25 DVA CB . 31003 1
116 . 2 . 1 5 5 DVA CG1 C 13 19.4 0.2 . . . . . . B 25 DVA CG1 . 31003 1
117 . 2 . 1 5 5 DVA CG2 C 13 19.0 0.2 . . . . . . B 25 DVA CG2 . 31003 1
118 . 2 . 1 5 5 DVA HA H 1 4.87 0.02 . . . . . . B 25 DVA HA . 31003 1
119 . 2 . 1 5 5 DVA HB H 1 2.18 0.02 . . . . . . B 25 DVA HB . 31003 1
120 . 2 . 1 5 5 DVA HG11 H 1 0.89 0.02 . . . . . . B 25 DVA HG11 . 31003 1
121 . 2 . 1 5 5 DVA HG21 H 1 0.80 0.02 . . . . . . B 25 DVA HG21 . 31003 1
122 . 2 . 1 6 6 MLE CA C 13 55.4 0.2 . . . . . . B 26 MLE CA . 31003 1
123 . 2 . 1 6 6 MLE CB C 13 36.7 0.2 . . . . . . B 26 MLE CB . 31003 1
124 . 2 . 1 6 6 MLE CD1 C 13 21.2 0.2 . . . . . . B 26 MLE CD1 . 31003 1
125 . 2 . 1 6 6 MLE CD2 C 13 23.5 0.2 . . . . . . B 26 MLE CD2 . 31003 1
126 . 2 . 1 6 6 MLE CG C 13 25.6 0.2 . . . . . . B 26 MLE CG . 31003 1
127 . 2 . 1 6 6 MLE CN C 13 32.2 0.2 . . . . . . B 26 MLE CN . 31003 1
128 . 2 . 1 6 6 MLE HA H 1 4.50 0.02 . . . . . . B 26 MLE HA . 31003 1
129 . 2 . 1 6 6 MLE HB2 H 1 1.98 0.02 . . . . . . B 26 MLE HB2 . 31003 1
130 . 2 . 1 6 6 MLE HB3 H 1 1.39 0.02 . . . . . . B 26 MLE HB3 . 31003 1
131 . 2 . 1 6 6 MLE HD11 H 1 0.96 0.02 . . . . . . B 26 MLE HD11 . 31003 1
132 . 2 . 1 6 6 MLE HD21 H 1 1.04 0.02 . . . . . . B 26 MLE HD21 . 31003 1
133 . 2 . 1 6 6 MLE HG H 1 1.62 0.02 . . . . . . B 26 MLE HG . 31003 1
134 . 2 . 1 6 6 MLE HN1 H 1 3.36 0.02 . . . . . . B 26 MLE HN1 . 31003 1
135 . 2 . 1 7 7 DPR C C 13 171.3 0.2 . . . . . . B 27 DPR C . 31003 1
136 . 2 . 1 7 7 DPR CA C 13 60.1 0.2 . . . . . . B 27 DPR CA . 31003 1
137 . 2 . 1 7 7 DPR CB C 13 27.7 0.2 . . . . . . B 27 DPR CB . 31003 1
138 . 2 . 1 7 7 DPR CD C 13 46.8 0.2 . . . . . . B 27 DPR CD . 31003 1
139 . 2 . 1 7 7 DPR CG C 13 24.2 0.2 . . . . . . B 27 DPR CG . 31003 1
140 . 2 . 1 7 7 DPR HA H 1 4.71 0.02 . . . . . . B 27 DPR HA . 31003 1
141 . 2 . 1 7 7 DPR HB2 H 1 1.96 0.02 . . . . . . B 27 DPR HB2 . 31003 1
142 . 2 . 1 7 7 DPR HB3 H 1 2.57 0.02 . . . . . . B 27 DPR HB3 . 31003 1
143 . 2 . 1 7 7 DPR HD2 H 1 3.48 0.02 . . . . . . B 27 DPR HD2 . 31003 1
144 . 2 . 1 7 7 DPR HD3 H 1 4.00 0.02 . . . . . . B 27 DPR HD3 . 31003 1
145 . 2 . 1 7 7 DPR HG2 H 1 1.96 0.02 . . . . . . B 27 DPR HG2 . 31003 1
146 . 2 . 1 7 7 DPR HG3 H 1 2.09 0.02 . . . . . . B 27 DPR HG3 . 31003 1
147 . 2 . 1 8 8 LEU H H 1 7.41 0.02 . . . . . . B 28 LEU H . 31003 1
148 . 2 . 1 8 8 LEU HA H 1 4.61 0.02 . . . . . . B 28 LEU HA . 31003 1
149 . 2 . 1 8 8 LEU HB2 H 1 1.58 0.02 . . . . . . B 28 LEU HB2 . 31003 1
150 . 2 . 1 8 8 LEU HB3 H 1 1.18 0.02 . . . . . . B 28 LEU HB3 . 31003 1
151 . 2 . 1 8 8 LEU HG H 1 1.72 0.02 . . . . . . B 28 LEU HG . 31003 1
152 . 2 . 1 8 8 LEU HD11 H 1 0.93 0.02 . . . . . . B 28 LEU HD11 . 31003 1
153 . 2 . 1 8 8 LEU HD12 H 1 0.93 0.02 . . . . . . B 28 LEU HD12 . 31003 1
154 . 2 . 1 8 8 LEU HD13 H 1 0.93 0.02 . . . . . . B 28 LEU HD13 . 31003 1
155 . 2 . 1 8 8 LEU HD21 H 1 0.94 0.02 . . . . . . B 28 LEU HD21 . 31003 1
156 . 2 . 1 8 8 LEU HD22 H 1 0.94 0.02 . . . . . . B 28 LEU HD22 . 31003 1
157 . 2 . 1 8 8 LEU HD23 H 1 0.94 0.02 . . . . . . B 28 LEU HD23 . 31003 1
158 . 2 . 1 8 8 LEU C C 13 174.0 0.2 . . . . . . B 28 LEU C . 31003 1
159 . 2 . 1 8 8 LEU CA C 13 52.2 0.2 . . . . . . B 28 LEU CA . 31003 1
160 . 2 . 1 8 8 LEU CB C 13 43.1 0.2 . . . . . . B 28 LEU CB . 31003 1
161 . 2 . 1 8 8 LEU CG C 13 24.8 0.2 . . . . . . B 28 LEU CG . 31003 1
162 . 2 . 1 8 8 LEU CD1 C 13 21.0 0.2 . . . . . . B 28 LEU CD1 . 31003 1
163 . 2 . 1 8 8 LEU N N 15 117.6 0.2 . . . . . . B 28 LEU N . 31003 1
stop_
save_