###################################
# 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 11007
_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 .
_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 TOCSY' . . . 11007 1
2 '2D 1H-1H NOESY' . . . 11007 1
4 '2D 1H-1H NOESY' . . . 11007 1
6 '3D 1H-15N NOESY' . . . 11007 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 H H 1 8.332 0.000 . 1 . . . . 1 . HN . 11007 1
2 . 1 1 1 1 GLY HA2 H 1 3.740 0.000 . 2 . . . . 1 . HA1 . 11007 1
3 . 1 1 2 2 ALA H H 1 8.094 0.000 . 1 . . . . 2 . HN . 11007 1
4 . 1 1 2 2 ALA HA H 1 4.152 0.000 . 1 . . . . 2 . HA . 11007 1
5 . 1 1 2 2 ALA HB1 H 1 1.185 0.002 . 1 . . . . 2 . QB . 11007 1
6 . 1 1 2 2 ALA HB2 H 1 1.185 0.002 . 1 . . . . 2 . QB . 11007 1
7 . 1 1 2 2 ALA HB3 H 1 1.185 0.002 . 1 . . . . 2 . QB . 11007 1
8 . 1 1 3 3 THR H H 1 8.054 0.000 . 1 . . . . 3 . HN . 11007 1
9 . 1 1 3 3 THR HA H 1 4.090 0.000 . 1 . . . . 3 . HA . 11007 1
10 . 1 1 3 3 THR HB H 1 3.984 0.000 . 1 . . . . 3 . HB . 11007 1
11 . 1 1 3 3 THR HG21 H 1 0.988 0.002 . 1 . . . . 3 . QG2 . 11007 1
12 . 1 1 3 3 THR HG22 H 1 0.988 0.002 . 1 . . . . 3 . QG2 . 11007 1
13 . 1 1 3 3 THR HG23 H 1 0.988 0.002 . 1 . . . . 3 . QG2 . 11007 1
14 . 1 1 4 4 ALA H H 1 8.184 0.000 . 1 . . . . 4 . HN . 11007 1
15 . 1 1 4 4 ALA HA H 1 4.154 0.004 . 1 . . . . 4 . HA . 11007 1
16 . 1 1 4 4 ALA HB1 H 1 1.173 0.002 . 1 . . . . 4 . QB . 11007 1
17 . 1 1 4 4 ALA HB2 H 1 1.173 0.002 . 1 . . . . 4 . QB . 11007 1
18 . 1 1 4 4 ALA HB3 H 1 1.173 0.002 . 1 . . . . 4 . QB . 11007 1
19 . 1 1 5 5 VAL H H 1 8.050 0.000 . 1 . . . . 5 . HN . 11007 1
20 . 1 1 5 5 VAL HA H 1 3.898 0.002 . 1 . . . . 5 . HA . 11007 1
21 . 1 1 5 5 VAL HB H 1 1.855 0.004 . 1 . . . . 5 . HB . 11007 1
22 . 1 1 5 5 VAL HG11 H 1 0.734 0.002 . 1 . . . . 5 . QG1 . 11007 1
23 . 1 1 5 5 VAL HG12 H 1 0.734 0.002 . 1 . . . . 5 . QG1 . 11007 1
24 . 1 1 5 5 VAL HG13 H 1 0.734 0.002 . 1 . . . . 5 . QG1 . 11007 1
25 . 1 1 6 6 SER H H 1 8.258 0.002 . 1 . . . . 6 . HN . 11007 1
26 . 1 1 6 6 SER HA H 1 4.302 0.001 . 1 . . . . 6 . HA . 11007 1
27 . 1 1 6 6 SER HB2 H 1 3.807 0.002 . 1 . . . . 6 . HB2 . 11007 1
28 . 1 1 6 6 SER HB3 H 1 3.689 0.000 . 1 . . . . 6 . HB3 . 11007 1
29 . 1 1 7 7 GLU H H 1 8.672 0.000 . 1 . . . . 7 . HN . 11007 1
30 . 1 1 7 7 GLU HA H 1 4.010 0.002 . 1 . . . . 7 . HA . 11007 1
31 . 1 1 7 7 GLU HB2 H 1 1.710 0.002 . 1 . . . . 7 . HB2 . 11007 1
32 . 1 1 7 7 GLU HB3 H 1 1.622 0.002 . 1 . . . . 7 . HB3 . 11007 1
33 . 1 1 7 7 GLU HG2 H 1 1.836 0.002 . 2 . . . . 7 . HG2 . 11007 1
34 . 1 1 8 8 TRP H H 1 8.081 0.001 . 1 . . . . 8 . HN . 11007 1
35 . 1 1 8 8 TRP HA H 1 5.130 0.000 . 1 . . . . 8 . HA . 11007 1
36 . 1 1 8 8 TRP HB2 H 1 2.910 0.001 . 1 . . . . 8 . HB2 . 11007 1
37 . 1 1 8 8 TRP HB3 H 1 2.734 0.002 . 1 . . . . 8 . HB3 . 11007 1
38 . 1 1 8 8 TRP HD1 H 1 7.009 0.002 . 1 . . . . 8 . HD1 . 11007 1
39 . 1 1 8 8 TRP HE1 H 1 10.079 0.002 . 1 . . . . 8 . HE1 . 11007 1
40 . 1 1 8 8 TRP HE3 H 1 7.152 0.000 . 1 . . . . 8 . HE3 . 11007 1
41 . 1 1 8 8 TRP HZ2 H 1 7.312 0.000 . 1 . . . . 8 . HZ2 . 11007 1
42 . 1 1 8 8 TRP HZ3 H 1 6.781 0.000 . 1 . . . . 8 . HZ3 . 11007 1
43 . 1 1 8 8 TRP HH2 H 1 6.915 0.000 . 1 . . . . 8 . HH2 . 11007 1
44 . 1 1 9 9 THR H H 1 9.193 0.000 . 1 . . . . 9 . HN . 11007 1
45 . 1 1 9 9 THR HA H 1 4.349 0.000 . 1 . . . . 9 . HA . 11007 1
46 . 1 1 9 9 THR HB H 1 3.760 0.002 . 1 . . . . 9 . HB . 11007 1
47 . 1 1 9 9 THR HG21 H 1 0.725 0.000 . 1 . . . . 9 . QG2 . 11007 1
48 . 1 1 9 9 THR HG22 H 1 0.725 0.000 . 1 . . . . 9 . QG2 . 11007 1
49 . 1 1 9 9 THR HG23 H 1 0.725 0.000 . 1 . . . . 9 . QG2 . 11007 1
50 . 1 1 10 10 GLU H H 1 8.349 0.000 . 1 . . . . 10 . HN . 11007 1
51 . 1 1 10 10 GLU HA H 1 4.245 0.000 . 1 . . . . 10 . HA . 11007 1
52 . 1 1 10 10 GLU HB2 H 1 1.613 0.002 . 2 . . . . 10 . HB2 . 11007 1
53 . 1 1 10 10 GLU HG2 H 1 1.656 0.003 . 2 . . . . 10 . HG2 . 11007 1
54 . 1 1 11 11 TYR H H 1 8.432 0.002 . 1 . . . . 11 . HN . 11007 1
55 . 1 1 11 11 TYR HA H 1 4.253 0.000 . 1 . . . . 11 . HA . 11007 1
56 . 1 1 11 11 TYR HB2 H 1 2.298 0.002 . 1 . . . . 11 . HB2 . 11007 1
57 . 1 1 11 11 TYR HB3 H 1 0.760 0.000 . 1 . . . . 11 . HB3 . 11007 1
58 . 1 1 11 11 TYR HD1 H 1 6.621 0.000 . 3 . . . . 11 . QD . 11007 1
59 . 1 1 11 11 TYR HD2 H 1 6.621 0.000 . 3 . . . . 11 . QD . 11007 1
60 . 1 1 11 11 TYR HE1 H 1 6.435 0.000 . 3 . . . . 11 . QE . 11007 1
61 . 1 1 11 11 TYR HE2 H 1 6.435 0.000 . 3 . . . . 11 . QE . 11007 1
62 . 1 1 12 12 LYS H H 1 7.975 0.000 . 1 . . . . 12 . HN . 11007 1
63 . 1 1 12 12 LYS HA H 1 5.364 0.000 . 1 . . . . 12 . HA . 11007 1
64 . 1 1 12 12 LYS HB2 H 1 1.423 0.006 . 1 . . . . 12 . HB2 . 11007 1
65 . 1 1 12 12 LYS HB3 H 1 1.160 0.002 . 1 . . . . 12 . HB3 . 11007 1
66 . 1 1 12 12 LYS HG2 H 1 1.504 0.002 . 2 . . . . 12 . HG2 . 11007 1
67 . 1 1 12 12 LYS HE2 H 1 2.675 0.002 . 2 . . . . 12 . HE2 . 11007 1
68 . 1 1 13 13 THR H H 1 9.157 0.000 . 1 . . . . 13 . HN . 11007 1
69 . 1 1 13 13 THR HA H 1 4.625 0.000 . 1 . . . . 13 . HA . 11007 1
70 . 1 1 13 13 THR HB H 1 4.472 0.002 . 1 . . . . 13 . HB . 11007 1
71 . 1 1 13 13 THR HG21 H 1 1.365 0.000 . 1 . . . . 13 . QG2 . 11007 1
72 . 1 1 13 13 THR HG22 H 1 1.365 0.000 . 1 . . . . 13 . QG2 . 11007 1
73 . 1 1 13 13 THR HG23 H 1 1.365 0.000 . 1 . . . . 13 . QG2 . 11007 1
74 . 1 1 14 14 ALA H H 1 9.132 0.000 . 1 . . . . 14 . HN . 11007 1
75 . 1 1 14 14 ALA HA H 1 3.969 0.000 . 1 . . . . 14 . HA . 11007 1
76 . 1 1 14 14 ALA HB1 H 1 1.309 0.002 . 1 . . . . 14 . QB . 11007 1
77 . 1 1 14 14 ALA HB2 H 1 1.309 0.002 . 1 . . . . 14 . QB . 11007 1
78 . 1 1 14 14 ALA HB3 H 1 1.309 0.002 . 1 . . . . 14 . QB . 11007 1
79 . 1 1 15 15 ASP H H 1 7.899 0.000 . 1 . . . . 15 . HN . 11007 1
80 . 1 1 15 15 ASP HA H 1 4.479 0.000 . 1 . . . . 15 . HA . 11007 1
81 . 1 1 15 15 ASP HB2 H 1 2.652 0.000 . 1 . . . . 15 . HB2 . 11007 1
82 . 1 1 15 15 ASP HB3 H 1 2.458 0.000 . 1 . . . . 15 . HB3 . 11007 1
83 . 1 1 16 16 GLY H H 1 7.820 0.000 . 1 . . . . 16 . HN . 11007 1
84 . 1 1 16 16 GLY HA2 H 1 3.988 0.000 . 1 . . . . 16 . HA1 . 11007 1
85 . 1 1 16 16 GLY HA3 H 1 3.447 0.002 . 1 . . . . 16 . HA2 . 11007 1
86 . 1 1 17 17 LYS H H 1 7.824 0.000 . 1 . . . . 17 . HN . 11007 1
87 . 1 1 17 17 LYS HA H 1 4.357 0.000 . 1 . . . . 17 . HA . 11007 1
88 . 1 1 17 17 LYS HB2 H 1 1.833 0.002 . 1 . . . . 17 . HB2 . 11007 1
89 . 1 1 17 17 LYS HB3 H 1 1.330 0.299 . 1 . . . . 17 . HB3 . 11007 1
90 . 1 1 17 17 LYS HG2 H 1 1.385 0.002 . 2 . . . . 17 . HG2 . 11007 1
91 . 1 1 17 17 LYS HD2 H 1 1.118 0.000 . 2 . . . . 17 . HD2 . 11007 1
92 . 1 1 17 17 LYS HE2 H 1 2.503 0.000 . 2 . . . . 17 . HE2 . 11007 1
93 . 1 1 18 18 THR H H 1 8.632 0.000 . 1 . . . . 18 . HN . 11007 1
94 . 1 1 18 18 THR HA H 1 4.842 0.000 . 1 . . . . 18 . HA . 11007 1
95 . 1 1 18 18 THR HB H 1 3.758 0.002 . 1 . . . . 18 . HB . 11007 1
96 . 1 1 18 18 THR HG21 H 1 0.710 0.000 . 1 . . . . 18 . QG2 . 11007 1
97 . 1 1 18 18 THR HG22 H 1 0.710 0.000 . 1 . . . . 18 . QG2 . 11007 1
98 . 1 1 18 18 THR HG23 H 1 0.710 0.000 . 1 . . . . 18 . QG2 . 11007 1
99 . 1 1 19 19 TYR H H 1 8.732 0.000 . 1 . . . . 19 . HN . 11007 1
100 . 1 1 19 19 TYR HA H 1 4.612 0.000 . 1 . . . . 19 . HA . 11007 1
101 . 1 1 19 19 TYR HB2 H 1 2.363 0.000 . 1 . . . . 19 . HB2 . 11007 1
102 . 1 1 19 19 TYR HB3 H 1 2.117 0.000 . 1 . . . . 19 . HB3 . 11007 1
103 . 1 1 19 19 TYR HD1 H 1 6.591 0.000 . 3 . . . . 19 . QD . 11007 1
104 . 1 1 19 19 TYR HD2 H 1 6.591 0.000 . 3 . . . . 19 . QD . 11007 1
105 . 1 1 19 19 TYR HE1 H 1 6.003 0.000 . 3 . . . . 19 . QE . 11007 1
106 . 1 1 19 19 TYR HE2 H 1 6.003 0.000 . 3 . . . . 19 . QE . 11007 1
107 . 1 1 20 20 TYR H H 1 8.796 0.002 . 1 . . . . 20 . HN . 11007 1
108 . 1 1 20 20 TYR HA H 1 5.030 0.000 . 1 . . . . 20 . HA . 11007 1
109 . 1 1 20 20 TYR HB2 H 1 2.560 0.000 . 1 . . . . 20 . HB2 . 11007 1
110 . 1 1 20 20 TYR HB3 H 1 2.488 0.000 . 1 . . . . 20 . HB3 . 11007 1
111 . 1 1 20 20 TYR HD1 H 1 6.528 0.001 . 3 . . . . 20 . QD . 11007 1
112 . 1 1 20 20 TYR HD2 H 1 6.528 0.001 . 3 . . . . 20 . QD . 11007 1
113 . 1 1 20 20 TYR HE1 H 1 6.493 0.000 . 3 . . . . 20 . QE . 11007 1
114 . 1 1 20 20 TYR HE2 H 1 6.493 0.000 . 3 . . . . 20 . QE . 11007 1
115 . 1 1 21 21 TYR H H 1 9.214 0.000 . 1 . . . . 21 . HN . 11007 1
116 . 1 1 21 21 TYR HA H 1 5.588 0.000 . 1 . . . . 21 . HA . 11007 1
117 . 1 1 21 21 TYR HB2 H 1 2.762 0.000 . 1 . . . . 21 . HB2 . 11007 1
118 . 1 1 21 21 TYR HB3 H 1 2.692 0.000 . 1 . . . . 21 . HB3 . 11007 1
119 . 1 1 21 21 TYR HD1 H 1 6.838 0.000 . 3 . . . . 21 . QD . 11007 1
120 . 1 1 21 21 TYR HD2 H 1 6.838 0.000 . 3 . . . . 21 . QD . 11007 1
121 . 1 1 21 21 TYR HE1 H 1 6.414 0.000 . 3 . . . . 21 . QE . 11007 1
122 . 1 1 21 21 TYR HE2 H 1 6.414 0.000 . 3 . . . . 21 . QE . 11007 1
123 . 1 1 22 22 ASN H H 1 8.025 0.000 . 1 . . . . 22 . HN . 11007 1
124 . 1 1 22 22 ASN HA H 1 4.157 0.002 . 1 . . . . 22 . HA . 11007 1
125 . 1 1 22 22 ASN HB2 H 1 2.146 0.002 . 1 . . . . 22 . HB2 . 11007 1
126 . 1 1 22 22 ASN HB3 H 1 -0.141 0.002 . 1 . . . . 22 . HB3 . 11007 1
127 . 1 1 23 23 ASN H H 1 8.244 0.000 . 1 . . . . 23 . HN . 11007 1
128 . 1 1 23 23 ASN HA H 1 3.908 0.001 . 1 . . . . 23 . HA . 11007 1
129 . 1 1 23 23 ASN HB2 H 1 2.620 0.002 . 1 . . . . 23 . HB2 . 11007 1
130 . 1 1 23 23 ASN HB3 H 1 2.524 0.002 . 1 . . . . 23 . HB3 . 11007 1
131 . 1 1 23 23 ASN HD21 H 1 7.182 0.002 . 1 . . . . 23 . HD21 . 11007 1
132 . 1 1 23 23 ASN HD22 H 1 6.974 0.002 . 1 . . . . 23 . HD22 . 11007 1
133 . 1 1 24 24 ARG H H 1 8.393 0.001 . 1 . . . . 24 . HN . 11007 1
134 . 1 1 24 24 ARG HA H 1 4.069 0.000 . 1 . . . . 24 . HA . 11007 1
135 . 1 1 24 24 ARG HB2 H 1 1.724 0.002 . 1 . . . . 24 . HB2 . 11007 1
136 . 1 1 24 24 ARG HB3 H 1 1.416 0.004 . 1 . . . . 24 . HB3 . 11007 1
137 . 1 1 24 24 ARG HG2 H 1 1.250 0.001 . 1 . . . . 24 . HG2 . 11007 1
138 . 1 1 24 24 ARG HG3 H 1 1.049 0.004 . 1 . . . . 24 . HG3 . 11007 1
139 . 1 1 24 24 ARG HD2 H 1 3.048 0.001 . 1 . . . . 24 . HD2 . 11007 1
140 . 1 1 24 24 ARG HD3 H 1 2.785 0.002 . 1 . . . . 24 . HD3 . 11007 1
141 . 1 1 24 24 ARG HE H 1 7.830 0.000 . 1 . . . . 24 . HE . 11007 1
142 . 1 1 25 25 THR H H 1 7.755 0.000 . 1 . . . . 25 . HN . 11007 1
143 . 1 1 25 25 THR HA H 1 3.753 0.002 . 1 . . . . 25 . HA . 11007 1
144 . 1 1 25 25 THR HB H 1 3.990 0.002 . 1 . . . . 25 . HB . 11007 1
145 . 1 1 25 25 THR HG21 H 1 0.718 0.002 . 1 . . . . 25 . QG2 . 11007 1
146 . 1 1 25 25 THR HG22 H 1 0.718 0.002 . 1 . . . . 25 . QG2 . 11007 1
147 . 1 1 25 25 THR HG23 H 1 0.718 0.002 . 1 . . . . 25 . QG2 . 11007 1
148 . 1 1 26 26 LEU H H 1 7.614 0.002 . 1 . . . . 26 . HN . 11007 1
149 . 1 1 26 26 LEU HA H 1 3.557 0.000 . 1 . . . . 26 . HA . 11007 1
150 . 1 1 26 26 LEU HB2 H 1 1.897 0.005 . 1 . . . . 26 . HB2 . 11007 1
151 . 1 1 26 26 LEU HB3 H 1 1.498 0.002 . 1 . . . . 26 . HB3 . 11007 1
152 . 1 1 26 26 LEU HD11 H 1 0.632 0.003 . 1 . . . . 26 . QD1 . 11007 1
153 . 1 1 26 26 LEU HD12 H 1 0.632 0.003 . 1 . . . . 26 . QD1 . 11007 1
154 . 1 1 26 26 LEU HD13 H 1 0.632 0.003 . 1 . . . . 26 . QD1 . 11007 1
155 . 1 1 26 26 LEU HD21 H 1 0.540 0.002 . 1 . . . . 26 . QD2 . 11007 1
156 . 1 1 26 26 LEU HD22 H 1 0.540 0.002 . 1 . . . . 26 . QD2 . 11007 1
157 . 1 1 26 26 LEU HD23 H 1 0.540 0.002 . 1 . . . . 26 . QD2 . 11007 1
158 . 1 1 26 26 LEU HG H 1 1.069 0.002 . 1 . . . . 26 . HG . 11007 1
159 . 1 1 27 27 GLU H H 1 6.940 0.000 . 1 . . . . 27 . HN . 11007 1
160 . 1 1 27 27 GLU HA H 1 4.090 0.000 . 1 . . . . 27 . HA . 11007 1
161 . 1 1 27 27 GLU HB2 H 1 1.658 0.000 . 1 . . . . 27 . HB2 . 11007 1
162 . 1 1 27 27 GLU HB3 H 1 1.552 0.002 . 1 . . . . 27 . HB3 . 11007 1
163 . 1 1 27 27 GLU HG2 H 1 2.056 0.002 . 1 . . . . 27 . HG2 . 11007 1
164 . 1 1 27 27 GLU HG3 H 1 1.893 0.002 . 1 . . . . 27 . HG3 . 11007 1
165 . 1 1 28 28 SER H H 1 8.229 0.002 . 1 . . . . 28 . HN . 11007 1
166 . 1 1 28 28 SER HA H 1 5.849 0.002 . 1 . . . . 28 . HA . 11007 1
167 . 1 1 28 28 SER HB2 H 1 3.462 0.001 . 2 . . . . 28 . HB2 . 11007 1
168 . 1 1 29 29 THR H H 1 9.329 0.000 . 1 . . . . 29 . HN . 11007 1
169 . 1 1 29 29 THR HA H 1 4.696 0.000 . 1 . . . . 29 . HA . 11007 1
170 . 1 1 29 29 THR HB H 1 4.094 0.000 . 1 . . . . 29 . HB . 11007 1
171 . 1 1 29 29 THR HG21 H 1 1.088 0.000 . 1 . . . . 29 . QG2 . 11007 1
172 . 1 1 29 29 THR HG22 H 1 1.088 0.000 . 1 . . . . 29 . QG2 . 11007 1
173 . 1 1 29 29 THR HG23 H 1 1.088 0.000 . 1 . . . . 29 . QG2 . 11007 1
174 . 1 1 30 30 TRP H H 1 8.163 0.000 . 1 . . . . 30 . HN . 11007 1
175 . 1 1 30 30 TRP HA H 1 4.902 0.000 . 1 . . . . 30 . HA . 11007 1
176 . 1 1 30 30 TRP HB2 H 1 3.449 0.000 . 1 . . . . 30 . HB2 . 11007 1
177 . 1 1 30 30 TRP HB3 H 1 3.028 0.000 . 1 . . . . 30 . HB3 . 11007 1
178 . 1 1 30 30 TRP HD1 H 1 7.220 0.002 . 1 . . . . 30 . HD1 . 11007 1
179 . 1 1 30 30 TRP HE1 H 1 9.936 0.004 . 1 . . . . 30 . HE1 . 11007 1
180 . 1 1 30 30 TRP HE3 H 1 8.010 0.000 . 1 . . . . 30 . HE3 . 11007 1
181 . 1 1 30 30 TRP HZ2 H 1 7.112 0.000 . 1 . . . . 30 . HZ2 . 11007 1
182 . 1 1 30 30 TRP HZ3 H 1 6.660 0.000 . 1 . . . . 30 . HZ3 . 11007 1
183 . 1 1 30 30 TRP HH2 H 1 6.859 0.000 . 1 . . . . 30 . HH2 . 11007 1
184 . 1 1 31 31 GLU H H 1 8.044 0.000 . 1 . . . . 31 . HN . 11007 1
185 . 1 1 31 31 GLU HA H 1 4.097 0.000 . 1 . . . . 31 . HA . 11007 1
186 . 1 1 31 31 GLU HB2 H 1 1.616 0.002 . 1 . . . . 31 . HB2 . 11007 1
187 . 1 1 31 31 GLU HB3 H 1 1.509 0.000 . 1 . . . . 31 . HB3 . 11007 1
188 . 1 1 31 31 GLU HG2 H 1 1.955 0.002 . 1 . . . . 31 . HG2 . 11007 1
189 . 1 1 32 32 LYS H H 1 8.230 0.000 . 1 . . . . 32 . HN . 11007 1
190 . 1 1 32 32 LYS HA H 1 2.440 0.002 . 1 . . . . 32 . HA . 11007 1
191 . 1 1 32 32 LYS HB2 H 1 1.156 0.002 . 1 . . . . 32 . HB2 . 11007 1
192 . 1 1 32 32 LYS HB3 H 1 0.818 0.008 . 1 . . . . 32 . HB3 . 11007 1
193 . 1 1 32 32 LYS HG2 H 1 0.344 0.002 . 2 . . . . 32 . HG2 . 11007 1
194 . 1 1 32 32 LYS HE2 H 1 2.494 0.002 . 2 . . . . 32 . HE2 . 11007 1
195 . 1 1 33 33 PRO HA H 1 3.715 0.004 . 1 . . . . 33 . HA . 11007 1
196 . 1 1 33 33 PRO HB2 H 1 1.027 0.001 . 1 . . . . 33 . HB2 . 11007 1
197 . 1 1 33 33 PRO HB3 H 1 0.872 0.002 . 1 . . . . 33 . HB3 . 11007 1
198 . 1 1 33 33 PRO HG2 H 1 0.096 0.002 . 1 . . . . 33 . HG2 . 11007 1
199 . 1 1 33 33 PRO HG3 H 1 -0.138 0.007 . 1 . . . . 33 . HG3 . 11007 1
200 . 1 1 33 33 PRO HD2 H 1 2.414 0.002 . 1 . . . . 33 . HD2 . 11007 1
201 . 1 1 33 33 PRO HD3 H 1 1.967 0.002 . 1 . . . . 33 . HD3 . 11007 1
202 . 1 1 34 34 GLN H H 1 8.358 0.002 . 1 . . . . 34 . HN . 11007 1
203 . 1 1 34 34 GLN HA H 1 3.544 0.000 . 1 . . . . 34 . HA . 11007 1
204 . 1 1 34 34 GLN HB2 H 1 1.808 0.002 . 1 . . . . 34 . HB2 . 11007 1
205 . 1 1 34 34 GLN HB3 H 1 1.747 0.000 . 1 . . . . 34 . HB3 . 11007 1
206 . 1 1 34 34 GLN HG2 H 1 2.146 0.003 . 2 . . . . 34 . HG2 . 11007 1
207 . 1 1 34 34 GLN HE21 H 1 7.408 0.000 . 1 . . . . 34 . HE21 . 11007 1
208 . 1 1 34 34 GLN HE22 H 1 6.706 0.000 . 1 . . . . 34 . HE22 . 11007 1
209 . 1 1 35 35 GLU H H 1 8.903 0.001 . 1 . . . . 35 . HN . 11007 1
210 . 1 1 35 35 GLU HA H 1 3.911 0.000 . 1 . . . . 35 . HA . 11007 1
211 . 1 1 35 35 GLU HB2 H 1 1.840 0.002 . 1 . . . . 35 . HB2 . 11007 1
212 . 1 1 35 35 GLU HB3 H 1 1.800 0.027 . 1 . . . . 35 . HB3 . 11007 1
213 . 1 1 35 35 GLU HG2 H 1 2.108 0.004 . 2 . . . . 35 . HG2 . 11007 1
214 . 1 1 36 36 LEU H H 1 7.344 0.002 . 1 . . . . 36 . HN . 11007 1
215 . 1 1 36 36 LEU HA H 1 4.214 0.000 . 1 . . . . 36 . HA . 11007 1
216 . 1 1 36 36 LEU HB2 H 1 1.147 0.000 . 1 . . . . 36 . HB2 . 11007 1
217 . 1 1 36 36 LEU HB3 H 1 1.040 0.000 . 1 . . . . 36 . HB3 . 11007 1
218 . 1 1 36 36 LEU HD11 H 1 0.675 0.002 . 1 . . . . 36 . QD1 . 11007 1
219 . 1 1 36 36 LEU HD12 H 1 0.675 0.002 . 1 . . . . 36 . QD1 . 11007 1
220 . 1 1 36 36 LEU HD13 H 1 0.675 0.002 . 1 . . . . 36 . QD1 . 11007 1
221 . 1 1 36 36 LEU HD21 H 1 0.594 0.000 . 1 . . . . 36 . QD2 . 11007 1
222 . 1 1 36 36 LEU HD22 H 1 0.594 0.000 . 1 . . . . 36 . QD2 . 11007 1
223 . 1 1 36 36 LEU HD23 H 1 0.594 0.000 . 1 . . . . 36 . QD2 . 11007 1
224 . 1 1 36 36 LEU HG H 1 1.407 0.001 . 1 . . . . 36 . HG . 11007 1
225 . 1 1 37 37 LYS H H 1 7.428 0.000 . 1 . . . . 37 . HN . 11007 1
226 . 1 1 37 37 LYS HA H 1 3.727 0.000 . 1 . . . . 37 . HA . 11007 1
227 . 1 1 37 37 LYS HB2 H 1 1.591 0.010 . 2 . . . . 37 . HB2 . 11007 1
228 . 1 1 37 37 LYS HB3 H 1 1.498 0.004 . 2 . . . . 37 . HB3 . 11007 1
229 . 1 1 37 37 LYS HG2 H 1 1.098 0.077 . 2 . . . . 37 . HG2 . 11007 1
230 . 2 2 1 1 PRO HA H 1 4.176 0.000 . 1 . . . . 103 . HA . 11007 1
231 . 2 2 1 1 PRO HB2 H 1 1.727 0.056 . 1 . . . . 103 . HB2 . 11007 1
232 . 2 2 1 1 PRO HB3 H 1 1.626 0.008 . 1 . . . . 103 . HB3 . 11007 1
233 . 2 2 1 1 PRO HG2 H 1 2.013 0.001 . 1 . . . . 103 . HG2 . 11007 1
234 . 2 2 1 1 PRO HG3 H 1 1.771 0.003 . 1 . . . . 103 . HG3 . 11007 1
235 . 2 2 1 1 PRO HD2 H 1 3.538 0.005 . 1 . . . . 103 . HD2 . 11007 1
236 . 2 2 1 1 PRO HD3 H 1 3.370 0.007 . 1 . . . . 103 . HD3 . 11007 1
237 . 2 2 2 2 THR H H 1 8.329 0.000 . 1 . . . . 104 . HN . 11007 1
238 . 2 2 2 2 THR HA H 1 4.296 0.000 . 1 . . . . 104 . HA . 11007 1
239 . 2 2 2 2 THR HB H 1 3.794 0.000 . 1 . . . . 104 . HB . 11007 1
240 . 2 2 2 2 THR HG21 H 1 1.008 0.000 . 1 . . . . 104 . QG2 . 11007 1
241 . 2 2 2 2 THR HG22 H 1 1.008 0.000 . 1 . . . . 104 . QG2 . 11007 1
242 . 2 2 2 2 THR HG23 H 1 1.008 0.000 . 1 . . . . 104 . QG2 . 11007 1
243 . 2 2 3 3 PRO HA H 1 4.252 0.000 . 1 . . . . 105 . HA . 11007 1
244 . 2 2 3 3 PRO HB2 H 1 1.535 0.000 . 2 . . . . 105 . HB2 . 11007 1
245 . 2 2 3 3 PRO HG2 H 1 2.085 0.000 . 2 . . . . 105 . HG2 . 11007 1
246 . 2 2 3 3 PRO HD2 H 1 3.514 0.006 . 1 . . . . 105 . HD2 . 11007 1
247 . 2 2 3 3 PRO HD3 H 1 3.357 0.010 . 1 . . . . 105 . HD3 . 11007 1
248 . 2 2 4 4 PRO HA H 1 4.648 0.001 . 1 . . . . 106 . HA . 11007 1
249 . 2 2 4 4 PRO HB2 H 1 2.058 0.000 . 2 . . . . 106 . HB2 . 11007 1
250 . 2 2 4 4 PRO HG2 H 1 1.672 0.000 . 2 . . . . 106 . HG2 . 11007 1
251 . 2 2 4 4 PRO HD2 H 1 3.538 0.008 . 1 . . . . 106 . HD2 . 11007 1
252 . 2 2 4 4 PRO HD3 H 1 3.284 0.000 . 1 . . . . 106 . HD3 . 11007 1
253 . 2 2 5 5 PRO HA H 1 4.308 0.026 . 1 . . . . 107 . HA . 11007 1
254 . 2 2 5 5 PRO HB2 H 1 2.037 0.000 . 2 . . . . 107 . HB2 . 11007 1
255 . 2 2 5 5 PRO HB3 H 1 2.031 0.000 . 2 . . . . 107 . HB2 . 11007 1
256 . 2 2 5 5 PRO HG2 H 1 1.748 0.000 . 1 . . . . 107 . HG2 . 11007 1
257 . 2 2 5 5 PRO HG3 H 1 1.688 0.008 . 1 . . . . 107 . HG3 . 11007 1
258 . 2 2 5 5 PRO HD2 H 1 3.571 0.000 . 1 . . . . 107 . HD2 . 11007 1
259 . 2 2 5 5 PRO HD3 H 1 3.323 0.000 . 1 . . . . 107 . HD3 . 11007 1
260 . 2 2 6 6 LEU H H 1 8.167 0.000 . 1 . . . . 108 . HN . 11007 1
261 . 2 2 6 6 LEU HA H 1 4.042 0.004 . 1 . . . . 108 . HA . 11007 1
262 . 2 2 6 6 LEU HB2 H 1 1.251 0.004 . 1 . . . . 108 . HB2 . 11007 1
263 . 2 2 6 6 LEU HD11 H 1 0.877 0.004 . 1 . . . . 108 . QD1 . 11007 1
264 . 2 2 6 6 LEU HD12 H 1 0.877 0.004 . 1 . . . . 108 . QD1 . 11007 1
265 . 2 2 6 6 LEU HD13 H 1 0.877 0.004 . 1 . . . . 108 . QD1 . 11007 1
266 . 2 2 6 6 LEU HD21 H 1 0.716 0.000 . 1 . . . . 108 . QD2 . 11007 1
267 . 2 2 6 6 LEU HD22 H 1 0.716 0.000 . 1 . . . . 108 . QD2 . 11007 1
268 . 2 2 6 6 LEU HD23 H 1 0.716 0.000 . 1 . . . . 108 . QD2 . 11007 1
269 . 2 2 6 6 LEU HG H 1 1.299 0.002 . 1 . . . . 108 . HG . 11007 1
270 . 2 2 7 7 PRO HB2 H 1 2.031 0.000 . 1 . . . . 109 . HB2 . 11007 1
271 . 2 2 7 7 PRO HG2 H 1 1.448 0.000 . 1 . . . . 109 . HG2 . 11007 1
272 . 2 2 7 7 PRO HG3 H 1 1.388 0.008 . 1 . . . . 109 . HG3 . 11007 1
273 . 2 2 7 7 PRO HD2 H 1 3.571 0.000 . 1 . . . . 109 . HD2 . 11007 1
274 . 2 2 7 7 PRO HD3 H 1 3.223 0.000 . 1 . . . . 109 . HD3 . 11007 1
275 . 2 2 8 8 PRO HA H 1 4.308 0.026 . 1 . . . . 110 . HA . 11007 1
276 . 2 2 8 8 PRO HB2 H 1 1.832 0.000 . 2 . . . . 110 . HB2 . 11007 1
277 . 2 2 8 8 PRO HG2 H 1 1.630 0.000 . 2 . . . . 110 . HG2 . 11007 1
278 . 2 2 8 8 PRO HD2 H 1 3.222 0.000 . 1 . . . . 110 . HD2 . 11007 1
279 . 2 2 8 8 PRO HD3 H 1 3.157 0.000 . 1 . . . . 110 . HD3 . 11007 1
stop_
save_