###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6898
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 TOCSY' . . . 6898 1
2 '2D NOESY' . . . 6898 1
3 DQF-COSY . . . 6898 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 8.803 . . . . . . . . . . . 6898 1
2 . 1 1 1 1 GLY HA2 H 1 3.55 . . . . . . . . . . . 6898 1
3 . 1 1 1 1 GLY HA3 H 1 3.65 . . . . . . . . . . . 6898 1
4 . 1 1 2 2 ALA H H 1 8.568 . . . . . . . . . . . 6898 1
5 . 1 1 2 2 ALA HA H 1 4.215 . . . . . . . . . . . 6898 1
6 . 1 1 2 2 ALA HB1 H 1 1.216 . . . . . . . . . . . 6898 1
7 . 1 1 2 2 ALA HB2 H 1 1.216 . . . . . . . . . . . 6898 1
8 . 1 1 2 2 ALA HB3 H 1 1.216 . . . . . . . . . . . 6898 1
9 . 1 1 3 3 TYR H H 1 8.46 . . . . . . . . . . . 6898 1
10 . 1 1 3 3 TYR HA H 1 4.566 . . . . . . . . . . . 6898 1
11 . 1 1 3 3 TYR HB2 H 1 3.02 . . . . . . . . . . . 6898 1
12 . 1 1 3 3 TYR HB3 H 1 2.95 . . . . . . . . . . . 6898 1
13 . 1 1 3 3 TYR HD1 H 1 7.07 . . . . . . . . . . . 6898 1
14 . 1 1 3 3 TYR HD2 H 1 7.07 . . . . . . . . . . . 6898 1
15 . 1 1 3 3 TYR HE1 H 1 6.72 . . . . . . . . . . . 6898 1
16 . 1 1 3 3 TYR HE2 H 1 6.72 . . . . . . . . . . . 6898 1
17 . 1 1 4 4 THR H H 1 8.08 . . . . . . . . . . . 6898 1
18 . 1 1 4 4 THR HA H 1 4.19 . . . . . . . . . . . 6898 1
19 . 1 1 4 4 THR HB H 1 4.12 . . . . . . . . . . . 6898 1
20 . 1 1 4 4 THR HG21 H 1 1.075 . . . . . . . . . . . 6898 1
21 . 1 1 4 4 THR HG22 H 1 1.075 . . . . . . . . . . . 6898 1
22 . 1 1 4 4 THR HG23 H 1 1.075 . . . . . . . . . . . 6898 1
23 . 1 1 5 5 GLY H H 1 7.4 . . . . . . . . . . . 6898 1
24 . 1 1 5 5 GLY HA2 H 1 3.77 . . . . . . . . . . . 6898 1
25 . 1 1 6 6 LEU H H 1 8.093 . . . . . . . . . . . 6898 1
26 . 1 1 6 6 LEU HA H 1 4.52 . . . . . . . . . . . 6898 1
27 . 1 1 6 6 LEU HB2 H 1 1.50 . . . . . . . . . . . 6898 1
28 . 1 1 6 6 LEU HB3 H 1 1.50 . . . . . . . . . . . 6898 1
29 . 1 1 6 6 LEU HG H 1 1.47 . . . . . . . . . . . 6898 1
30 . 1 1 6 6 LEU HD11 H 1 0.86 . . . . . . . . . . . 6898 1
31 . 1 1 6 6 LEU HD12 H 1 0.86 . . . . . . . . . . . 6898 1
32 . 1 1 6 6 LEU HD13 H 1 0.86 . . . . . . . . . . . 6898 1
33 . 1 1 6 6 LEU HD21 H 1 0.835 . . . . . . . . . . . 6898 1
34 . 1 1 6 6 LEU HD22 H 1 0.835 . . . . . . . . . . . 6898 1
35 . 1 1 6 6 LEU HD23 H 1 0.835 . . . . . . . . . . . 6898 1
36 . 1 1 7 7 PRO HA H 1 4.31 . . . . . . . . . . . 6898 1
37 . 1 1 7 7 PRO HB2 H 1 2.22 . . . . . . . . . . . 6898 1
38 . 1 1 7 7 PRO HG2 H 1 1.94 . . . . . . . . . . . 6898 1
39 . 1 1 7 7 PRO HG3 H 1 1.81 . . . . . . . . . . . 6898 1
40 . 1 1 7 7 PRO HD2 H 1 3.76 . . . . . . . . . . . 6898 1
41 . 1 1 7 7 PRO HD3 H 1 3.59 . . . . . . . . . . . 6898 1
42 . 1 1 8 8 ASN H H 1 8.456 . . . . . . . . . . . 6898 1
43 . 1 1 8 8 ASN HA H 1 4.54 . . . . . . . . . . . 6898 1
44 . 1 1 8 8 ASN HB2 H 1 2.67 . . . . . . . . . . . 6898 1
45 . 1 1 8 8 ASN HD21 H 1 7.60 . . . . . . . . . . . 6898 1
46 . 1 1 8 8 ASN HD22 H 1 6.91 . . . . . . . . . . . 6898 1
47 . 1 1 9 9 LYS H H 1 8.18 . . . . . . . . . . . 6898 1
48 . 1 1 9 9 LYS HA H 1 4.215 . . . . . . . . . . . 6898 1
49 . 1 1 9 9 LYS HB2 H 1 1.74 . . . . . . . . . . . 6898 1
50 . 1 1 9 9 LYS HB3 H 1 1.64 . . . . . . . . . . . 6898 1
51 . 1 1 9 9 LYS HG2 H 1 1.31 . . . . . . . . . . . 6898 1
52 . 1 1 9 9 LYS HD2 H 1 1.63 . . . . . . . . . . . 6898 1
53 . 1 1 9 9 LYS HE2 H 1 3.14 . . . . . . . . . . . 6898 1
54 . 1 1 10 10 LYS H H 1 8.35 . . . . . . . . . . . 6898 1
55 . 1 1 10 10 LYS HA H 1 4.45 . . . . . . . . . . . 6898 1
56 . 1 1 10 10 LYS HB2 H 1 1.71 . . . . . . . . . . . 6898 1
57 . 1 1 10 10 LYS HG2 H 1 1.38 . . . . . . . . . . . 6898 1
58 . 1 1 10 10 LYS HD2 H 1 1.61 . . . . . . . . . . . 6898 1
59 . 1 1 10 10 LYS HE2 H 1 3.13 . . . . . . . . . . . 6898 1
60 . 1 1 11 11 PRO HA H 1 4.309 . . . . . . . . . . . 6898 1
61 . 1 1 11 11 PRO HB2 H 1 2.20 . . . . . . . . . . . 6898 1
62 . 1 1 11 11 PRO HB3 H 1 1.92 . . . . . . . . . . . 6898 1
63 . 1 1 11 11 PRO HG2 H 1 1.8 . . . . . . . . . . . 6898 1
64 . 1 1 11 11 PRO HD2 H 1 3.72 . . . . . . . . . . . 6898 1
65 . 1 1 12 12 ASN H H 1 8.56 . . . . . . . . . . . 6898 1
66 . 1 1 12 12 ASN HA H 1 4.57 . . . . . . . . . . . 6898 1
67 . 1 1 12 12 ASN HB2 H 1 2.68 . . . . . . . . . . . 6898 1
68 . 1 1 12 12 ASN HB3 H 1 2.64 . . . . . . . . . . . 6898 1
69 . 1 1 12 12 ASN HD21 H 1 7.62 . . . . . . . . . . . 6898 1
70 . 1 1 12 12 ASN HD22 H 1 6.93 . . . . . . . . . . . 6898 1
71 . 1 1 13 13 VAL H H 1 8.057 . . . . . . . . . . . 6898 1
72 . 1 1 13 13 VAL HA H 1 4.379 . . . . . . . . . . . 6898 1
73 . 1 1 13 13 VAL HB H 1 1.99 . . . . . . . . . . . 6898 1
74 . 1 1 13 13 VAL HG11 H 1 0.887 . . . . . . . . . . . 6898 1
75 . 1 1 13 13 VAL HG12 H 1 0.887 . . . . . . . . . . . 6898 1
76 . 1 1 13 13 VAL HG13 H 1 0.887 . . . . . . . . . . . 6898 1
77 . 1 1 13 13 VAL HG21 H 1 0.84 . . . . . . . . . . . 6898 1
78 . 1 1 13 13 VAL HG22 H 1 0.84 . . . . . . . . . . . 6898 1
79 . 1 1 13 13 VAL HG23 H 1 0.84 . . . . . . . . . . . 6898 1
80 . 1 1 14 14 PRO HA H 1 4.379 . . . . . . . . . . . 6898 1
81 . 1 1 14 14 PRO HB2 H 1 2.22 . . . . . . . . . . . 6898 1
82 . 1 1 14 14 PRO HB3 H 1 1.92 . . . . . . . . . . . 6898 1
83 . 1 1 14 14 PRO HG2 H 1 1.80 . . . . . . . . . . . 6898 1
84 . 1 1 14 14 PRO HD2 H 1 3.61 . . . . . . . . . . . 6898 1
85 . 1 1 14 14 PRO HD3 H 1 3.77 . . . . . . . . . . . 6898 1
86 . 1 1 15 15 THR H H 1 8.28 . . . . . . . . . . . 6898 1
87 . 1 1 15 15 THR HA H 1 4.18 . . . . . . . . . . . 6898 1
88 . 1 1 15 15 THR HB H 1 4.045 . . . . . . . . . . . 6898 1
89 . 1 1 15 15 THR HG21 H 1 1.122 . . . . . . . . . . . 6898 1
90 . 1 1 15 15 THR HG22 H 1 1.122 . . . . . . . . . . . 6898 1
91 . 1 1 15 15 THR HG23 H 1 1.122 . . . . . . . . . . . 6898 1
92 . 1 1 16 16 ILE H H 1 8.20 . . . . . . . . . . . 6898 1
93 . 1 1 16 16 ILE HA H 1 4.10 . . . . . . . . . . . 6898 1
94 . 1 1 16 16 ILE HB H 1 1.77 . . . . . . . . . . . 6898 1
95 . 1 1 16 16 ILE HG12 H 1 1.39 . . . . . . . . . . . 6898 1
96 . 1 1 16 16 ILE HG21 H 1 0.817 . . . . . . . . . . . 6898 1
97 . 1 1 16 16 ILE HG22 H 1 0.817 . . . . . . . . . . . 6898 1
98 . 1 1 16 16 ILE HG23 H 1 0.817 . . . . . . . . . . . 6898 1
99 . 1 1 16 16 ILE HD11 H 1 0.806 . . . . . . . . . . . 6898 1
100 . 1 1 16 16 ILE HD12 H 1 0.806 . . . . . . . . . . . 6898 1
101 . 1 1 16 16 ILE HD13 H 1 0.806 . . . . . . . . . . . 6898 1
102 . 1 1 17 17 ARG H H 1 8.50 . . . . . . . . . . . 6898 1
103 . 1 1 17 17 ARG HA H 1 4.33 . . . . . . . . . . . 6898 1
104 . 1 1 17 17 ARG HB2 H 1 1.78 . . . . . . . . . . . 6898 1
105 . 1 1 17 17 ARG HB3 H 1 1.68 . . . . . . . . . . . 6898 1
106 . 1 1 17 17 ARG HG2 H 1 1.57 . . . . . . . . . . . 6898 1
107 . 1 1 17 17 ARG HG3 H 1 1.52 . . . . . . . . . . . 6898 1
108 . 1 1 17 17 ARG HD2 H 1 3.11 . . . . . . . . . . . 6898 1
109 . 1 1 17 17 ARG HE H 1 7.16 . . . . . . . . . . . 6898 1
110 . 1 1 17 17 ARG HH11 H 1 6.700 . . . . . . . . . . . 6898 1
111 . 1 1 18 18 THR H H 1 8.134 . . . . . . . . . . . 6898 1
112 . 1 1 18 18 THR HA H 1 4.215 . . . . . . . . . . . 6898 1
113 . 1 1 18 18 THR HB H 1 4.10 . . . . . . . . . . . 6898 1
114 . 1 1 18 18 THR HG21 H 1 1.12 . . . . . . . . . . . 6898 1
115 . 1 1 18 18 THR HG22 H 1 1.12 . . . . . . . . . . . 6898 1
116 . 1 1 18 18 THR HG23 H 1 1.12 . . . . . . . . . . . 6898 1
117 . 1 1 19 19 ALA H H 1 8.30 . . . . . . . . . . . 6898 1
118 . 1 1 19 19 ALA HA H 1 4.238 . . . . . . . . . . . 6898 1
119 . 1 1 19 19 ALA HB1 H 1 1.286 . . . . . . . . . . . 6898 1
120 . 1 1 19 19 ALA HB2 H 1 1.286 . . . . . . . . . . . 6898 1
121 . 1 1 19 19 ALA HB3 H 1 1.286 . . . . . . . . . . . 6898 1
122 . 1 1 20 20 LYS H H 1 8.298 . . . . . . . . . . . 6898 1
123 . 1 1 20 20 LYS HA H 1 4.215 . . . . . . . . . . . 6898 1
124 . 1 1 20 20 LYS HB2 H 1 1.71 . . . . . . . . . . . 6898 1
125 . 1 1 20 20 LYS HB3 H 1 1.66 . . . . . . . . . . . 6898 1
126 . 1 1 20 20 LYS HG2 H 1 1.36 . . . . . . . . . . . 6898 1
127 . 1 1 20 20 LYS HD2 H 1 1.59 . . . . . . . . . . . 6898 1
128 . 1 1 20 20 LYS HE2 H 1 3.15 . . . . . . . . . . . 6898 1
129 . 1 1 21 21 VAL H H 1 8.25 . . . . . . . . . . . 6898 1
130 . 1 1 21 21 VAL HA H 1 4.00 . . . . . . . . . . . 6898 1
131 . 1 1 21 21 VAL HB H 1 1.99 . . . . . . . . . . . 6898 1
132 . 1 1 21 21 VAL HG11 H 1 0.864 . . . . . . . . . . . 6898 1
133 . 1 1 21 21 VAL HG12 H 1 0.864 . . . . . . . . . . . 6898 1
134 . 1 1 21 21 VAL HG13 H 1 0.864 . . . . . . . . . . . 6898 1
135 . 1 1 22 22 GLN H H 1 7.99 . . . . . . . . . . . 6898 1
136 . 1 1 22 22 GLN HA H 1 4.07 . . . . . . . . . . . 6898 1
137 . 1 1 22 22 GLN HB2 H 1 1.99 . . . . . . . . . . . 6898 1
138 . 1 1 22 22 GLN HB3 H 1 1.85 . . . . . . . . . . . 6898 1
139 . 1 1 22 22 GLN HG2 H 1 2.20 . . . . . . . . . . . 6898 1
140 . 1 1 22 22 GLN HE21 H 1 6.84 . . . . . . . . . . . 6898 1
141 . 1 1 22 22 GLN HE22 H 1 7.05 . . . . . . . . . . . 6898 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_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 6898
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
. . 2 $sample_2 . 6898 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 2 2 ALA H H 1 8.386 . . . . . . . . . . . 6898 2
2 . 1 1 2 2 ALA HA H 1 4.27 . . . . . . . . . . . 6898 2
3 . 1 1 2 2 ALA HB1 H 1 1.33 . . . . . . . . . . . 6898 2
4 . 1 1 2 2 ALA HB2 H 1 1.33 . . . . . . . . . . . 6898 2
5 . 1 1 2 2 ALA HB3 H 1 1.33 . . . . . . . . . . . 6898 2
6 . 1 1 3 3 TYR H H 1 8.57 . . . . . . . . . . . 6898 2
7 . 1 1 3 3 TYR HA H 1 4.61 . . . . . . . . . . . 6898 2
8 . 1 1 3 3 TYR HB2 H 1 3.0 . . . . . . . . . . . 6898 2
9 . 1 1 3 3 TYR HB3 H 1 2.96 . . . . . . . . . . . 6898 2
10 . 1 1 3 3 TYR HD1 H 1 7.1 . . . . . . . . . . . 6898 2
11 . 1 1 3 3 TYR HD2 H 1 7.1 . . . . . . . . . . . 6898 2
12 . 1 1 3 3 TYR HE1 H 1 6.75 . . . . . . . . . . . 6898 2
13 . 1 1 3 3 TYR HE2 H 1 6.75 . . . . . . . . . . . 6898 2
14 . 1 1 4 4 THR H H 1 8.19 . . . . . . . . . . . 6898 2
15 . 1 1 4 4 THR HA H 1 4.23 . . . . . . . . . . . 6898 2
16 . 1 1 4 4 THR HB H 1 4.16 . . . . . . . . . . . 6898 2
17 . 1 1 4 4 THR HG21 H 1 1.10 . . . . . . . . . . . 6898 2
18 . 1 1 4 4 THR HG22 H 1 1.10 . . . . . . . . . . . 6898 2
19 . 1 1 4 4 THR HG23 H 1 1.10 . . . . . . . . . . . 6898 2
20 . 1 1 5 5 GLY H H 1 7.27 . . . . . . . . . . . 6898 2
21 . 1 1 5 5 GLY HA2 H 1 3.8 . . . . . . . . . . . 6898 2
22 . 1 1 6 6 LEU H H 1 8.20 . . . . . . . . . . . 6898 2
23 . 1 1 6 6 LEU HA H 1 4.57 . . . . . . . . . . . 6898 2
24 . 1 1 6 6 LEU HB2 H 1 1.57 . . . . . . . . . . . 6898 2
25 . 1 1 6 6 LEU HB3 H 1 1.55 . . . . . . . . . . . 6898 2
26 . 1 1 6 6 LEU HG H 1 1.52 . . . . . . . . . . . 6898 2
27 . 1 1 6 6 LEU HD11 H 1 0.9 . . . . . . . . . . . 6898 2
28 . 1 1 6 6 LEU HD12 H 1 0.9 . . . . . . . . . . . 6898 2
29 . 1 1 6 6 LEU HD13 H 1 0.9 . . . . . . . . . . . 6898 2
30 . 1 1 6 6 LEU HD21 H 1 0.88 . . . . . . . . . . . 6898 2
31 . 1 1 6 6 LEU HD22 H 1 0.88 . . . . . . . . . . . 6898 2
32 . 1 1 6 6 LEU HD23 H 1 0.88 . . . . . . . . . . . 6898 2
33 . 1 1 7 7 PRO HA H 1 4.362 . . . . . . . . . . . 6898 2
34 . 1 1 7 7 PRO HB2 H 1 2.32 . . . . . . . . . . . 6898 2
35 . 1 1 7 7 PRO HG2 H 1 1.97 . . . . . . . . . . . 6898 2
36 . 1 1 7 7 PRO HG3 H 1 1.84 . . . . . . . . . . . 6898 2
37 . 1 1 7 7 PRO HD2 H 1 3.81 . . . . . . . . . . . 6898 2
38 . 1 1 7 7 PRO HD3 H 1 3.61 . . . . . . . . . . . 6898 2
39 . 1 1 8 8 ASN H H 1 8.55 . . . . . . . . . . . 6898 2
40 . 1 1 8 8 ASN HA H 1 4.59 . . . . . . . . . . . 6898 2
41 . 1 1 8 8 ASN HB2 H 1 2.72 . . . . . . . . . . . 6898 2
42 . 1 1 8 8 ASN HD21 H 1 7.64 . . . . . . . . . . . 6898 2
43 . 1 1 8 8 ASN HD22 H 1 6.94 . . . . . . . . . . . 6898 2
44 . 1 1 9 9 LYS H H 1 8.29 . . . . . . . . . . . 6898 2
45 . 1 1 9 9 LYS HA H 1 4.26 . . . . . . . . . . . 6898 2
46 . 1 1 9 9 LYS HB2 H 1 1.77 . . . . . . . . . . . 6898 2
47 . 1 1 9 9 LYS HB3 H 1 1.67 . . . . . . . . . . . 6898 2
48 . 1 1 9 9 LYS HG2 H 1 1.35 . . . . . . . . . . . 6898 2
49 . 1 1 9 9 LYS HD2 H 1 1.63 . . . . . . . . . . . 6898 2
50 . 1 1 9 9 LYS HE2 H 1 2.93 . . . . . . . . . . . 6898 2
51 . 1 1 10 10 LYS H H 1 8.43 . . . . . . . . . . . 6898 2
52 . 1 1 10 10 LYS HA H 1 4.50 . . . . . . . . . . . 6898 2
53 . 1 1 10 10 LYS HB2 H 1 1.77 . . . . . . . . . . . 6898 2
54 . 1 1 10 10 LYS HG2 H 1 1.40 . . . . . . . . . . . 6898 2
55 . 1 1 10 10 LYS HD2 H 1 1.65 . . . . . . . . . . . 6898 2
56 . 1 1 10 10 LYS HE2 H 1 2.95 . . . . . . . . . . . 6898 2
57 . 1 1 11 11 PRO HA H 1 4.35 . . . . . . . . . . . 6898 2
58 . 1 1 11 11 PRO HB2 H 1 2.23 . . . . . . . . . . . 6898 2
59 . 1 1 11 11 PRO HB3 H 1 1.96 . . . . . . . . . . . 6898 2
60 . 1 1 11 11 PRO HG2 H 1 1.83 . . . . . . . . . . . 6898 2
61 . 1 1 11 11 PRO HD2 H 1 3.77 . . . . . . . . . . . 6898 2
62 . 1 1 11 11 PRO HD3 H 1 3.59 . . . . . . . . . . . 6898 2
63 . 1 1 12 12 ASN H H 1 8.65 . . . . . . . . . . . 6898 2
64 . 1 1 12 12 ASN HA H 1 4.6 . . . . . . . . . . . 6898 2
65 . 1 1 12 12 ASN HB2 H 1 2.71 . . . . . . . . . . . 6898 2
66 . 1 1 12 12 ASN HB3 H 1 2.67 . . . . . . . . . . . 6898 2
67 . 1 1 12 12 ASN HD21 H 1 7.66 . . . . . . . . . . . 6898 2
68 . 1 1 12 12 ASN HD22 H 1 6.96 . . . . . . . . . . . 6898 2
69 . 1 1 13 13 VAL H H 1 8.19 . . . . . . . . . . . 6898 2
70 . 1 1 13 13 VAL HA H 1 4.41 . . . . . . . . . . . 6898 2
71 . 1 1 13 13 VAL HB H 1 2.03 . . . . . . . . . . . 6898 2
72 . 1 1 13 13 VAL HG11 H 1 0.92 . . . . . . . . . . . 6898 2
73 . 1 1 13 13 VAL HG12 H 1 0.92 . . . . . . . . . . . 6898 2
74 . 1 1 13 13 VAL HG13 H 1 0.92 . . . . . . . . . . . 6898 2
75 . 1 1 13 13 VAL HG21 H 1 0.87 . . . . . . . . . . . 6898 2
76 . 1 1 13 13 VAL HG22 H 1 0.87 . . . . . . . . . . . 6898 2
77 . 1 1 13 13 VAL HG23 H 1 0.87 . . . . . . . . . . . 6898 2
78 . 1 1 14 14 PRO HA H 1 4.42 . . . . . . . . . . . 6898 2
79 . 1 1 14 14 PRO HB2 H 1 2.25 . . . . . . . . . . . 6898 2
80 . 1 1 14 14 PRO HB3 H 1 1.98 . . . . . . . . . . . 6898 2
81 . 1 1 14 14 PRO HG2 H 1 1.83 . . . . . . . . . . . 6898 2
82 . 1 1 14 14 PRO HG3 H 1 1.94 . . . . . . . . . . . 6898 2
83 . 1 1 14 14 PRO HD2 H 1 3.81 . . . . . . . . . . . 6898 2
84 . 1 1 14 14 PRO HD3 H 1 3.66 . . . . . . . . . . . 6898 2
85 . 1 1 15 15 THR H H 1 8.395 . . . . . . . . . . . 6898 2
86 . 1 1 15 15 THR HA H 1 4.21 . . . . . . . . . . . 6898 2
87 . 1 1 15 15 THR HB H 1 4.07 . . . . . . . . . . . 6898 2
88 . 1 1 15 15 THR HG21 H 1 1.17 . . . . . . . . . . . 6898 2
89 . 1 1 15 15 THR HG22 H 1 1.17 . . . . . . . . . . . 6898 2
90 . 1 1 15 15 THR HG23 H 1 1.17 . . . . . . . . . . . 6898 2
91 . 1 1 16 16 ILE H H 1 8.31 . . . . . . . . . . . 6898 2
92 . 1 1 16 16 ILE HA H 1 4.13 . . . . . . . . . . . 6898 2
93 . 1 1 16 16 ILE HB H 1 1.79 . . . . . . . . . . . 6898 2
94 . 1 1 16 16 ILE HG12 H 1 1.42 . . . . . . . . . . . 6898 2
95 . 1 1 16 16 ILE HG13 H 1 1.12 . . . . . . . . . . . 6898 2
96 . 1 1 16 16 ILE HG21 H 1 0.84 . . . . . . . . . . . 6898 2
97 . 1 1 16 16 ILE HG22 H 1 0.84 . . . . . . . . . . . 6898 2
98 . 1 1 16 16 ILE HG23 H 1 0.84 . . . . . . . . . . . 6898 2
99 . 1 1 16 16 ILE HD11 H 1 0.80 . . . . . . . . . . . 6898 2
100 . 1 1 16 16 ILE HD12 H 1 0.80 . . . . . . . . . . . 6898 2
101 . 1 1 16 16 ILE HD13 H 1 0.80 . . . . . . . . . . . 6898 2
102 . 1 1 17 17 ARG H H 1 8.59 . . . . . . . . . . . 6898 2
103 . 1 1 17 17 ARG HA H 1 4.38 . . . . . . . . . . . 6898 2
104 . 1 1 17 17 ARG HB2 H 1 1.80 . . . . . . . . . . . 6898 2
105 . 1 1 17 17 ARG HB3 H 1 1.71 . . . . . . . . . . . 6898 2
106 . 1 1 17 17 ARG HG2 H 1 1.61 . . . . . . . . . . . 6898 2
107 . 1 1 17 17 ARG HG3 H 1 1.55 . . . . . . . . . . . 6898 2
108 . 1 1 17 17 ARG HD2 H 1 3.15 . . . . . . . . . . . 6898 2
109 . 1 1 18 18 THR H H 1 8.25 . . . . . . . . . . . 6898 2
110 . 1 1 18 18 THR HA H 1 4.25 . . . . . . . . . . . 6898 2
111 . 1 1 18 18 THR HB H 1 4.14 . . . . . . . . . . . 6898 2
112 . 1 1 18 18 THR HG21 H 1 1.16 . . . . . . . . . . . 6898 2
113 . 1 1 18 18 THR HG22 H 1 1.16 . . . . . . . . . . . 6898 2
114 . 1 1 18 18 THR HG23 H 1 1.16 . . . . . . . . . . . 6898 2
115 . 1 1 19 19 ALA H H 1 8.609 . . . . . . . . . . . 6898 2
116 . 1 1 19 19 ALA HA H 1 4.256 . . . . . . . . . . . 6898 2
117 . 1 1 19 19 ALA HB1 H 1 1.27 . . . . . . . . . . . 6898 2
118 . 1 1 19 19 ALA HB2 H 1 1.27 . . . . . . . . . . . 6898 2
119 . 1 1 19 19 ALA HB3 H 1 1.27 . . . . . . . . . . . 6898 2
120 . 1 1 20 20 LYS H H 1 8.384 . . . . . . . . . . . 6898 2
121 . 1 1 20 20 LYS HA H 1 4.25 . . . . . . . . . . . 6898 2
122 . 1 1 20 20 LYS HB2 H 1 1.75 . . . . . . . . . . . 6898 2
123 . 1 1 20 20 LYS HG2 H 1 1.36 . . . . . . . . . . . 6898 2
124 . 1 1 20 20 LYS HD2 H 1 1.71 . . . . . . . . . . . 6898 2
125 . 1 1 20 20 LYS HE2 H 1 2.93 . . . . . . . . . . . 6898 2
126 . 1 1 21 21 VAL H H 1 8.34 . . . . . . . . . . . 6898 2
127 . 1 1 21 21 VAL HA H 1 4.05 . . . . . . . . . . . 6898 2
128 . 1 1 21 21 VAL HB H 1 2.02 . . . . . . . . . . . 6898 2
129 . 1 1 21 21 VAL HG11 H 1 0.9 . . . . . . . . . . . 6898 2
130 . 1 1 21 21 VAL HG12 H 1 0.9 . . . . . . . . . . . 6898 2
131 . 1 1 21 21 VAL HG13 H 1 0.9 . . . . . . . . . . . 6898 2
132 . 1 1 22 22 GLN H H 1 8.10 . . . . . . . . . . . 6898 2
133 . 1 1 22 22 GLN HA H 1 4.11 . . . . . . . . . . . 6898 2
134 . 1 1 22 22 GLN HB2 H 1 2.03 . . . . . . . . . . . 6898 2
135 . 1 1 22 22 GLN HG2 H 1 2.24 . . . . . . . . . . . 6898 2
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