###################################
# 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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18159
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_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 .
_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 '2D 1H-1H NOESY' 1 $PpSB1-Jalpha isotropic 18159 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 ACE H1 H 1 2.059 0.003 . 1 . 140 . . 1 ACE HA1 . 18159 1
2 . 1 1 1 1 ACE H2 H 1 2.059 0.003 . 1 . 140 . . 1 ACE HA2 . 18159 1
3 . 1 1 1 1 ACE H3 H 1 2.059 0.003 . 1 . 140 . . 1 ACE HA3 . 18159 1
4 . 1 1 2 2 SER H H 1 8.247 0.002 . 1 . 2 . . 2 SER H . 18159 1
5 . 1 1 2 2 SER HA H 1 4.407 0.005 . 1 . 1 . . 2 SER HA . 18159 1
6 . 1 1 2 2 SER HB2 H 1 3.854 0.005 . 2 . 3 . . 2 SER HB2 . 18159 1
7 . 1 1 2 2 SER HB3 H 1 3.922 0.002 . 2 . 90 . . 2 SER HB3 . 18159 1
8 . 1 1 3 3 ARG H H 1 8.553 0.003 . 1 . 4 . . 3 ARG H . 18159 1
9 . 1 1 3 3 ARG HA H 1 4.302 0.004 . 1 . 5 . . 3 ARG HA . 18159 1
10 . 1 1 3 3 ARG HB2 H 1 1.804 0.002 . 2 . 7 . . 3 ARG HB2 . 18159 1
11 . 1 1 3 3 ARG HB3 H 1 1.886 0.002 . 2 . 6 . . 3 ARG HB3 . 18159 1
12 . 1 1 3 3 ARG HG2 H 1 1.651 0.003 . 2 . 91 . . 3 ARG HG2 . 18159 1
13 . 1 1 3 3 ARG HG3 H 1 1.804 0.003 . 2 . 93 . . 3 ARG HG3 . 18159 1
14 . 1 1 3 3 ARG HD2 H 1 3.241 0.004 . 2 . 134 . . 3 ARG HD2 . 18159 1
15 . 1 1 3 3 ARG HD3 H 1 3.172 0.003 . 2 . 133 . . 3 ARG HD3 . 18159 1
16 . 1 1 3 3 ARG HE H 1 7.322 0.003 . 1 . 146 . . 3 ARG HE . 18159 1
17 . 1 1 4 4 GLN H H 1 8.359 0.003 . 1 . 101 . . 4 GLN H . 18159 1
18 . 1 1 4 4 GLN HA H 1 4.140 0.002 . 1 . 8 . . 4 GLN HA . 18159 1
19 . 1 1 4 4 GLN HB2 H 1 2.062 0.002 . 2 . 10 . . 4 GLN HB2 . 18159 1
20 . 1 1 4 4 GLN HB3 H 1 2.062 0.002 . 2 . 136 . . 4 GLN HB3 . 18159 1
21 . 1 1 4 4 GLN HG2 H 1 2.360 0.002 . 2 . 135 . . 4 GLN HG2 . 18159 1
22 . 1 1 4 4 GLN HG3 H 1 2.361 0.003 . 2 . 9 . . 4 GLN HG3 . 18159 1
23 . 1 1 4 4 GLN HE21 H 1 6.762 0.003 . 1 . 106 . . 4 GLN HE21 . 18159 1
24 . 1 1 4 4 GLN HE22 H 1 7.661 0.003 . 1 . 105 . . 4 GLN HE22 . 18159 1
25 . 1 1 5 5 VAL H H 1 7.859 0.002 . 1 . 11 . . 5 VAL H . 18159 1
26 . 1 1 5 5 VAL HA H 1 3.876 0.004 . 1 . 12 . . 5 VAL HA . 18159 1
27 . 1 1 5 5 VAL HB H 1 2.091 0.002 . 1 . 13 . . 5 VAL HB . 18159 1
28 . 1 1 5 5 VAL HG11 H 1 0.941 0.002 . 2 . 15 . . 5 VAL HG11 . 18159 1
29 . 1 1 5 5 VAL HG12 H 1 0.941 0.002 . 2 . 15 . . 5 VAL HG12 . 18159 1
30 . 1 1 5 5 VAL HG13 H 1 0.941 0.002 . 2 . 15 . . 5 VAL HG13 . 18159 1
31 . 1 1 5 5 VAL HG21 H 1 0.996 0.002 . 2 . 14 . . 5 VAL HG21 . 18159 1
32 . 1 1 5 5 VAL HG22 H 1 0.996 0.002 . 2 . 14 . . 5 VAL HG22 . 18159 1
33 . 1 1 5 5 VAL HG23 H 1 0.996 0.002 . 2 . 14 . . 5 VAL HG23 . 18159 1
34 . 1 1 6 6 GLU H H 1 8.196 0.003 . 1 . 16 . . 6 GLU H . 18159 1
35 . 1 1 6 6 GLU HA H 1 4.135 0.004 . 1 . 17 . . 6 GLU HA . 18159 1
36 . 1 1 6 6 GLU HB2 H 1 2.068 0.002 . 2 . 19 . . 6 GLU HB2 . 18159 1
37 . 1 1 6 6 GLU HB3 H 1 2.070 0.002 . 2 . 138 . . 6 GLU HB3 . 18159 1
38 . 1 1 6 6 GLU HG2 H 1 2.309 0.005 . 2 . 137 . . 6 GLU HG2 . 18159 1
39 . 1 1 6 6 GLU HG3 H 1 2.310 0.004 . 2 . 18 . . 6 GLU HG3 . 18159 1
40 . 1 1 7 7 LEU H H 1 8.124 0.003 . 1 . 20 . . 7 LEU H . 18159 1
41 . 1 1 7 7 LEU HA H 1 4.185 0.003 . 1 . 21 . . 7 LEU HA . 18159 1
42 . 1 1 7 7 LEU HB2 H 1 1.624 0.007 . 2 . 23 . . 7 LEU HB2 . 18159 1
43 . 1 1 7 7 LEU HB3 H 1 1.729 0.002 . 2 . 22 . . 7 LEU HB3 . 18159 1
44 . 1 1 7 7 LEU HG H 1 1.647 0.007 . 1 . 94 . . 7 LEU HG . 18159 1
45 . 1 1 7 7 LEU HD11 H 1 0.871 0.006 . 2 . 109 . . 7 LEU HD11 . 18159 1
46 . 1 1 7 7 LEU HD12 H 1 0.871 0.006 . 2 . 109 . . 7 LEU HD12 . 18159 1
47 . 1 1 7 7 LEU HD13 H 1 0.871 0.006 . 2 . 109 . . 7 LEU HD13 . 18159 1
48 . 1 1 7 7 LEU HD21 H 1 0.885 0.003 . 2 . 111 . . 7 LEU HD21 . 18159 1
49 . 1 1 7 7 LEU HD22 H 1 0.885 0.003 . 2 . 111 . . 7 LEU HD22 . 18159 1
50 . 1 1 7 7 LEU HD23 H 1 0.885 0.003 . 2 . 111 . . 7 LEU HD23 . 18159 1
51 . 1 1 8 8 GLU H H 1 8.242 0.002 . 1 . 24 . . 8 GLU H . 18159 1
52 . 1 1 8 8 GLU HA H 1 4.014 0.003 . 1 . 25 . . 8 GLU HA . 18159 1
53 . 1 1 8 8 GLU HB2 H 1 2.099 0.004 . 2 . 100 . . 8 GLU HB2 . 18159 1
54 . 1 1 8 8 GLU HB3 H 1 2.065 0.002 . 2 . 99 . . 8 GLU HB3 . 18159 1
55 . 1 1 8 8 GLU HG2 H 1 2.423 0.004 . 2 . 26 . . 8 GLU HG2 . 18159 1
56 . 1 1 8 8 GLU HG3 H 1 2.269 0.004 . 2 . 27 . . 8 GLU HG3 . 18159 1
57 . 1 1 9 9 ARG H H 1 8.038 0.003 . 1 . 28 . . 9 ARG H . 18159 1
58 . 1 1 9 9 ARG HA H 1 4.128 0.002 . 1 . 102 . . 9 ARG HA . 18159 1
59 . 1 1 9 9 ARG HB2 H 1 1.939 0.003 . 2 . 29 . . 9 ARG HB2 . 18159 1
60 . 1 1 9 9 ARG HB3 H 1 1.903 0.005 . 2 . 97 . . 9 ARG HB3 . 18159 1
61 . 1 1 9 9 ARG HG2 H 1 1.737 0.003 . 2 . 31 . . 9 ARG HG2 . 18159 1
62 . 1 1 9 9 ARG HG3 H 1 1.624 0.004 . 2 . 30 . . 9 ARG HG3 . 18159 1
63 . 1 1 9 9 ARG HD2 H 1 3.198 0.007 . 2 . 132 . . 9 ARG HD2 . 18159 1
64 . 1 1 9 9 ARG HD3 H 1 3.180 0.006 . 2 . 131 . . 9 ARG HD3 . 18159 1
65 . 1 1 9 9 ARG HE H 1 7.376 0.003 . 1 . 142 . . 9 ARG HE . 18159 1
66 . 1 1 10 10 GLU H H 1 8.156 0.002 . 1 . 32 . . 10 GLU H . 18159 1
67 . 1 1 10 10 GLU HA H 1 4.085 0.003 . 1 . 33 . . 10 GLU HA . 18159 1
68 . 1 1 10 10 GLU HB2 H 1 2.117 0.005 . 2 . 36 . . 10 GLU HB2 . 18159 1
69 . 1 1 10 10 GLU HB3 H 1 2.076 0.003 . 2 . 98 . . 10 GLU HB3 . 18159 1
70 . 1 1 10 10 GLU HG2 H 1 2.260 0.006 . 2 . 35 . . 10 GLU HG2 . 18159 1
71 . 1 1 10 10 GLU HG3 H 1 2.416 0.004 . 2 . 34 . . 10 GLU HG3 . 18159 1
72 . 1 1 11 11 LEU H H 1 8.241 0.002 . 1 . 37 . . 11 LEU H . 18159 1
73 . 1 1 11 11 LEU HA H 1 4.132 0.003 . 1 . 38 . . 11 LEU HA . 18159 1
74 . 1 1 11 11 LEU HB2 H 1 1.553 0.002 . 2 . 41 . . 11 LEU HB2 . 18159 1
75 . 1 1 11 11 LEU HB3 H 1 1.763 0.002 . 2 . 39 . . 11 LEU HB3 . 18159 1
76 . 1 1 11 11 LEU HG H 1 1.730 0.005 . 1 . 40 . . 11 LEU HG . 18159 1
77 . 1 1 11 11 LEU HD11 H 1 0.870 0.006 . 2 . 112 . . 11 LEU HD11 . 18159 1
78 . 1 1 11 11 LEU HD12 H 1 0.870 0.006 . 2 . 112 . . 11 LEU HD12 . 18159 1
79 . 1 1 11 11 LEU HD13 H 1 0.870 0.006 . 2 . 112 . . 11 LEU HD13 . 18159 1
80 . 1 1 11 11 LEU HD21 H 1 0.883 0.005 . 2 . 110 . . 11 LEU HD21 . 18159 1
81 . 1 1 11 11 LEU HD22 H 1 0.883 0.005 . 2 . 110 . . 11 LEU HD22 . 18159 1
82 . 1 1 11 11 LEU HD23 H 1 0.883 0.005 . 2 . 110 . . 11 LEU HD23 . 18159 1
83 . 1 1 12 12 ALA H H 1 7.988 0.003 . 1 . 42 . . 12 ALA H . 18159 1
84 . 1 1 12 12 ALA HA H 1 4.079 0.002 . 1 . 103 . . 12 ALA HA . 18159 1
85 . 1 1 12 12 ALA HB1 H 1 1.482 0.003 . 1 . 43 . . 12 ALA HB1 . 18159 1
86 . 1 1 12 12 ALA HB2 H 1 1.482 0.003 . 1 . 43 . . 12 ALA HB2 . 18159 1
87 . 1 1 12 12 ALA HB3 H 1 1.482 0.003 . 1 . 43 . . 12 ALA HB3 . 18159 1
88 . 1 1 13 13 GLU H H 1 8.007 0.003 . 1 . 44 . . 13 GLU H . 18159 1
89 . 1 1 13 13 GLU HA H 1 4.093 0.003 . 1 . 104 . . 13 GLU HA . 18159 1
90 . 1 1 13 13 GLU HB2 H 1 2.093 0.003 . 2 . 139 . . 13 GLU HB2 . 18159 1
91 . 1 1 13 13 GLU HB3 H 1 2.090 0.004 . 2 . 47 . . 13 GLU HB3 . 18159 1
92 . 1 1 13 13 GLU HG2 H 1 2.404 0.005 . 2 . 46 . . 13 GLU HG2 . 18159 1
93 . 1 1 13 13 GLU HG3 H 1 2.261 0.004 . 2 . 45 . . 13 GLU HG3 . 18159 1
94 . 1 1 14 14 LEU H H 1 7.884 0.004 . 1 . 48 . . 14 LEU H . 18159 1
95 . 1 1 14 14 LEU HA H 1 4.159 0.006 . 1 . 49 . . 14 LEU HA . 18159 1
96 . 1 1 14 14 LEU HB2 H 1 1.641 0.003 . 2 . 51 . . 14 LEU HB2 . 18159 1
97 . 1 1 14 14 LEU HB3 H 1 1.811 0.002 . 2 . 50 . . 14 LEU HB3 . 18159 1
98 . 1 1 14 14 LEU HG H 1 1.749 0.003 . 1 . 52 . . 14 LEU HG . 18159 1
99 . 1 1 14 14 LEU HD11 H 1 0.878 0.003 . 2 . 107 . . 14 LEU HD11 . 18159 1
100 . 1 1 14 14 LEU HD12 H 1 0.878 0.003 . 2 . 107 . . 14 LEU HD12 . 18159 1
101 . 1 1 14 14 LEU HD13 H 1 0.878 0.003 . 2 . 107 . . 14 LEU HD13 . 18159 1
102 . 1 1 14 14 LEU HD21 H 1 0.919 0.006 . 2 . 108 . . 14 LEU HD21 . 18159 1
103 . 1 1 14 14 LEU HD22 H 1 0.919 0.006 . 2 . 108 . . 14 LEU HD22 . 18159 1
104 . 1 1 14 14 LEU HD23 H 1 0.919 0.006 . 2 . 108 . . 14 LEU HD23 . 18159 1
105 . 1 1 15 15 ARG H H 1 7.959 0.003 . 1 . 53 . . 15 ARG H . 18159 1
106 . 1 1 15 15 ARG HA H 1 4.164 0.003 . 1 . 54 . . 15 ARG HA . 18159 1
107 . 1 1 15 15 ARG HB2 H 1 1.818 0.003 . 2 . 55 . . 15 ARG HB2 . 18159 1
108 . 1 1 15 15 ARG HB3 H 1 1.888 0.003 . 2 . 56 . . 15 ARG HB3 . 18159 1
109 . 1 1 15 15 ARG HG2 H 1 1.642 0.005 . 2 . 57 . . 15 ARG HG2 . 18159 1
110 . 1 1 15 15 ARG HG3 H 1 1.756 0.003 . 2 . 58 . . 15 ARG HG3 . 18159 1
111 . 1 1 15 15 ARG HD2 H 1 3.169 0.008 . 2 . 130 . . 15 ARG HD2 . 18159 1
112 . 1 1 15 15 ARG HD3 H 1 3.158 0.004 . 2 . 129 . . 15 ARG HD3 . 18159 1
113 . 1 1 15 15 ARG HE H 1 7.218 0.003 . 1 . 141 . . 15 ARG HE . 18159 1
114 . 1 1 16 16 ALA H H 1 7.667 0.002 . 1 . 59 . . 16 ALA H . 18159 1
115 . 1 1 16 16 ALA HA H 1 4.310 0.003 . 1 . 60 . . 16 ALA HA . 18159 1
116 . 1 1 16 16 ALA HB1 H 1 1.417 0.002 . 1 . 61 . . 16 ALA HB1 . 18159 1
117 . 1 1 16 16 ALA HB2 H 1 1.417 0.002 . 1 . 61 . . 16 ALA HB2 . 18159 1
118 . 1 1 16 16 ALA HB3 H 1 1.417 0.002 . 1 . 61 . . 16 ALA HB3 . 18159 1
119 . 1 1 17 17 ARG H H 1 7.786 0.003 . 1 . 62 . . 17 ARG H . 18159 1
120 . 1 1 17 17 ARG HA H 1 4.572 0.002 . 1 . 63 . . 17 ARG HA . 18159 1
121 . 1 1 17 17 ARG HB2 H 1 1.858 0.003 . 2 . 65 . . 17 ARG HB2 . 18159 1
122 . 1 1 17 17 ARG HB3 H 1 1.785 0.002 . 2 . 64 . . 17 ARG HB3 . 18159 1
123 . 1 1 17 17 ARG HG2 H 1 1.784 0.003 . 2 . 92 . . 17 ARG HG2 . 18159 1
124 . 1 1 17 17 ARG HG3 H 1 1.715 0.002 . 2 . 66 . . 17 ARG HG3 . 18159 1
125 . 1 1 17 17 ARG HD2 H 1 3.224 0.006 . 2 . 128 . . 17 ARG HD2 . 18159 1
126 . 1 1 17 17 ARG HD3 H 1 3.204 0.006 . 2 . 127 . . 17 ARG HD3 . 18159 1
127 . 1 1 17 17 ARG HE H 1 7.509 0.003 . 1 . 143 . . 17 ARG HE . 18159 1
128 . 1 1 18 18 PRO HA H 1 4.429 0.003 . 1 . 118 . . 18 PRO HA . 18159 1
129 . 1 1 18 18 PRO HB2 H 1 1.854 0.002 . 2 . 119 . . 18 PRO HB2 . 18159 1
130 . 1 1 18 18 PRO HB3 H 1 2.278 0.003 . 2 . 122 . . 18 PRO HB3 . 18159 1
131 . 1 1 18 18 PRO HG2 H 1 2.001 0.003 . 2 . 120 . . 18 PRO HG2 . 18159 1
132 . 1 1 18 18 PRO HG3 H 1 2.002 0.003 . 2 . 121 . . 18 PRO HG3 . 18159 1
133 . 1 1 18 18 PRO HD2 H 1 3.607 0.003 . 2 . 115 . . 18 PRO HD2 . 18159 1
134 . 1 1 18 18 PRO HD3 H 1 3.806 0.002 . 2 . 116 . . 18 PRO HD3 . 18159 1
135 . 1 1 19 19 LYS H H 1 8.409 0.002 . 1 . 67 . . 19 LYS H . 18159 1
136 . 1 1 19 19 LYS HA H 1 4.590 0.004 . 1 . 68 . . 19 LYS HA . 18159 1
137 . 1 1 19 19 LYS HB2 H 1 1.854 0.002 . 2 . 72 . . 19 LYS HB2 . 18159 1
138 . 1 1 19 19 LYS HB3 H 1 1.716 0.004 . 2 . 71 . . 19 LYS HB3 . 18159 1
139 . 1 1 19 19 LYS HG2 H 1 1.479 0.004 . 2 . 69 . . 19 LYS HG2 . 18159 1
140 . 1 1 19 19 LYS HG3 H 1 1.522 0.002 . 2 . 70 . . 19 LYS HG3 . 18159 1
141 . 1 1 19 19 LYS HD2 H 1 1.708 0.003 . 2 . 151 . . 19 LYS HD2 . 18159 1
142 . 1 1 19 19 LYS HD3 H 1 1.709 0.002 . 2 . 150 . . 19 LYS HD3 . 18159 1
143 . 1 1 19 19 LYS HE2 H 1 3.018 0.003 . 1 . 149 . . 19 LYS HE2 . 18159 1
144 . 1 1 19 19 LYS HE3 H 1 3.018 0.003 . 1 . 148 . . 19 LYS HE3 . 18159 1
145 . 1 1 20 20 PRO HA H 1 4.369 0.005 . 1 . 117 . . 20 PRO HA . 18159 1
146 . 1 1 20 20 PRO HB2 H 1 1.913 0.004 . 2 . 123 . . 20 PRO HB2 . 18159 1
147 . 1 1 20 20 PRO HB3 H 1 2.284 0.003 . 2 . 124 . . 20 PRO HB3 . 18159 1
148 . 1 1 20 20 PRO HG2 H 1 2.005 0.006 . 2 . 126 . . 20 PRO HG2 . 18159 1
149 . 1 1 20 20 PRO HG3 H 1 2.022 0.004 . 2 . 125 . . 20 PRO HG3 . 18159 1
150 . 1 1 20 20 PRO HD2 H 1 3.663 0.002 . 2 . 113 . . 20 PRO HD2 . 18159 1
151 . 1 1 20 20 PRO HD3 H 1 3.806 0.003 . 2 . 114 . . 20 PRO HD3 . 18159 1
152 . 1 1 21 21 ASP H H 1 8.338 0.007 . 1 . 73 . . 21 ASP H . 18159 1
153 . 1 1 21 21 ASP HA H 1 4.543 0.002 . 1 . 74 . . 21 ASP HA . 18159 1
154 . 1 1 21 21 ASP HB2 H 1 2.623 0.002 . 2 . 75 . . 21 ASP HB2 . 18159 1
155 . 1 1 21 21 ASP HB3 H 1 2.682 0.003 . 2 . 76 . . 21 ASP HB3 . 18159 1
156 . 1 1 22 22 GLU H H 1 8.238 0.002 . 1 . 77 . . 22 GLU H . 18159 1
157 . 1 1 22 22 GLU HA H 1 4.285 0.002 . 1 . 78 . . 22 GLU HA . 18159 1
158 . 1 1 22 22 GLU HB2 H 1 1.945 0.002 . 2 . 80 . . 22 GLU HB2 . 18159 1
159 . 1 1 22 22 GLU HB3 H 1 2.072 0.002 . 2 . 79 . . 22 GLU HB3 . 18159 1
160 . 1 1 22 22 GLU HG2 H 1 2.231 0.003 . 2 . 96 . . 22 GLU HG2 . 18159 1
161 . 1 1 22 22 GLU HG3 H 1 2.240 0.003 . 2 . 95 . . 22 GLU HG3 . 18159 1
162 . 1 1 23 23 ARG H H 1 8.253 0.006 . 1 . 84 . . 23 ARG H . 18159 1
163 . 1 1 23 23 ARG HA H 1 4.323 0.003 . 1 . 85 . . 23 ARG HA . 18159 1
164 . 1 1 23 23 ARG HB2 H 1 1.882 0.002 . 2 . 86 . . 23 ARG HB2 . 18159 1
165 . 1 1 23 23 ARG HB3 H 1 1.757 0.002 . 2 . 87 . . 23 ARG HB3 . 18159 1
166 . 1 1 23 23 ARG HG2 H 1 1.739 0.003 . 2 . 147 . . 23 ARG HG2 . 18159 1
167 . 1 1 23 23 ARG HG3 H 1 1.631 0.002 . 2 . 88 . . 23 ARG HG3 . 18159 1
168 . 1 1 23 23 ARG HD2 H 1 3.222 0.003 . 2 . 144 . . 23 ARG HD2 . 18159 1
169 . 1 1 23 23 ARG HD3 H 1 3.199 0.002 . 2 . 89 . . 23 ARG HD3 . 18159 1
170 . 1 1 23 23 ARG HE H 1 7.322 0.003 . 1 . 145 . . 23 ARG HE . 18159 1
171 . 1 1 24 24 ALA H H 1 7.870 0.002 . 1 . 81 . . 24 ALA H . 18159 1
172 . 1 1 24 24 ALA HA H 1 4.121 0.002 . 1 . 82 . . 24 ALA HA . 18159 1
173 . 1 1 24 24 ALA HB1 H 1 1.321 0.002 . 1 . 83 . . 24 ALA HB1 . 18159 1
174 . 1 1 24 24 ALA HB2 H 1 1.321 0.002 . 1 . 83 . . 24 ALA HB2 . 18159 1
175 . 1 1 24 24 ALA HB3 H 1 1.321 0.002 . 1 . 83 . . 24 ALA HB3 . 18159 1
stop_
save_