###################################
# 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 6991
_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 $conditions_of_TFCD
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $TMS
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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 ROESY 1 $sample_1 isotropic 6991 1
3 IP-COSY 1 $sample_1 isotropic 6991 1
4 TOCSY 1 $sample_1 isotropic 6991 1
5 1H15N_HSQC 1 $sample_1 isotropic 6991 1
6 1H13C_HSQC 1 $sample_1 isotropic 6991 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
Water H . 4.701 0.02 6991 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $NMRView . . 6991 1
2 $nmrpipe . . 6991 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.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 3 3 LYS H H 1 8.53 0.02 . 1 . . . . . 247 LYS HN . 6991 1
2 . 1 1 3 3 LYS HA H 1 4.22 0.02 . 1 . . . . . 247 LYS HA . 6991 1
3 . 1 1 3 3 LYS HB2 H 1 1.75 0.02 . 2 . . . . . 247 LYS HB2 . 6991 1
4 . 1 1 3 3 LYS HB3 H 1 1.68 0.02 . 2 . . . . . 247 LYS HB3 . 6991 1
5 . 1 1 3 3 LYS HG2 H 1 1.39 0.02 . 1 . . . . . 247 LYS QG . 6991 1
6 . 1 1 3 3 LYS HG3 H 1 1.39 0.02 . 1 . . . . . 247 LYS QG . 6991 1
7 . 1 1 3 3 LYS CA C 13 56.3 0.10 . 1 . . . . . 247 LYS CA . 6991 1
8 . 1 1 3 3 LYS CG C 13 24.8 0.10 . 1 . . . . . 247 LYS CG . 6991 1
9 . 1 1 4 4 ALA H H 1 8.43 0.02 . 1 . . . . . 248 ALA HN . 6991 1
10 . 1 1 4 4 ALA HA H 1 4.23 0.02 . 1 . . . . . 248 ALA HA . 6991 1
11 . 1 1 4 4 ALA HB1 H 1 1.33 0.02 . 1 . . . . . 248 ALA HB . 6991 1
12 . 1 1 4 4 ALA HB2 H 1 1.33 0.02 . 1 . . . . . 248 ALA HB . 6991 1
13 . 1 1 4 4 ALA HB3 H 1 1.33 0.02 . 1 . . . . . 248 ALA HB . 6991 1
14 . 1 1 4 4 ALA CA C 13 52.5 0.10 . 1 . . . . . 248 ALA CA . 6991 1
15 . 1 1 4 4 ALA CB C 13 19.4 0.10 . 1 . . . . . 248 ALA CB . 6991 1
16 . 1 1 4 4 ALA N N 15 124.6 0.02 . 1 . . . . . 248 ALA N . 6991 1
17 . 1 1 5 5 GLY H H 1 8.34 0.02 . 1 . . . . . 249 GLY HN . 6991 1
18 . 1 1 5 5 GLY HA2 H 1 3.91 0.02 . 2 . . . . . 249 GLY HA1 . 6991 1
19 . 1 1 5 5 GLY HA3 H 1 3.87 0.02 . 2 . . . . . 249 GLY HA2 . 6991 1
20 . 1 1 5 5 GLY CA C 13 45.1 0.10 . 1 . . . . . 249 GLY CA . 6991 1
21 . 1 1 5 5 GLY N N 15 108.7 0.10 . 1 . . . . . 249 GLY N . 6991 1
22 . 1 1 6 6 VAL H H 1 8.07 0.02 . 1 . . . . . 250 VAL HN . 6991 1
23 . 1 1 6 6 VAL HA H 1 4.10 0.02 . 1 . . . . . 250 VAL HA . 6991 1
24 . 1 1 6 6 VAL HB H 1 2.06 0.02 . 1 . . . . . 250 VAL HB . 6991 1
25 . 1 1 6 6 VAL HG11 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG1 . 6991 1
26 . 1 1 6 6 VAL HG12 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG1 . 6991 1
27 . 1 1 6 6 VAL HG13 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG1 . 6991 1
28 . 1 1 6 6 VAL HG21 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG2 . 6991 1
29 . 1 1 6 6 VAL HG22 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG2 . 6991 1
30 . 1 1 6 6 VAL HG23 H 1 0.89 0.02 . 2 . . . . . 250 VAL HG2 . 6991 1
31 . 1 1 6 6 VAL CA C 13 62.4 0.10 . 1 . . . . . 250 VAL CA . 6991 1
32 . 1 1 6 6 VAL CB C 13 32.6 0.10 . 1 . . . . . 250 VAL CB . 6991 1
33 . 1 1 6 6 VAL CG1 C 13 21.1 0.10 . 1 . . . . . 250 VAL CG . 6991 1
34 . 1 1 6 6 VAL N N 15 119.2 0.10 . 1 . . . . . 250 VAL N . 6991 1
35 . 1 1 7 7 GLY H H 1 8.65 0.02 . 1 . . . . . 251 GLY HN . 6991 1
36 . 1 1 7 7 GLY HA2 H 1 3.92 0.02 . 1 . . . . . 251 GLY HA1 . 6991 1
37 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 1 . . . . . 251 GLY HA2 . 6991 1
38 . 1 1 7 7 GLY CA C 13 45.1 0.10 . 1 . . . . . 251 GLY CA . 6991 1
39 . 1 1 7 7 GLY N N 15 113.0 0.10 . 1 . . . . . 251 GLY N . 6991 1
40 . 1 1 8 8 GLN H H 1 8.24 0.10 . 1 . . . . . 252 GLN HN . 6991 1
41 . 1 1 8 8 GLN HA H 1 4.27 0.02 . 1 . . . . . 252 GLN HA . 6991 1
42 . 1 1 8 8 GLN HB2 H 1 1.91 0.02 . 2 . . . . . 252 GLN HB2 . 6991 1
43 . 1 1 8 8 GLN HB3 H 1 1.84 0.02 . 2 . . . . . 252 GLN HB3 . 6991 1
44 . 1 1 8 8 GLN HG2 H 1 2.21 0.02 . 1 . . . . . 252 GLN HG . 6991 1
45 . 1 1 8 8 GLN HG3 H 1 2.21 0.02 . 1 . . . . . 252 GLN HG . 6991 1
46 . 1 1 8 8 GLN HE21 H 1 6.85 0.02 . 2 . . . . . 252 GLN HE21 . 6991 1
47 . 1 1 8 8 GLN HE22 H 1 7.48 0.02 . 2 . . . . . 252 GLN HE22 . 6991 1
48 . 1 1 8 8 GLN CA C 13 55.7 0.10 . 1 . . . . . 252 GLN CA . 6991 1
49 . 1 1 8 8 GLN CB C 13 29.6 0.10 . 1 . . . . . 252 GLN CB . 6991 1
50 . 1 1 8 8 GLN CG C 13 33.6 0.10 . 1 . . . . . 252 GLN CG . 6991 1
51 . 1 1 8 8 GLN N N 15 119.7 0.10 . 1 . . . . . 252 GLN N . 6991 1
52 . 1 1 8 8 GLN NE2 N 15 112.7 0.10 . 1 . . . . . 252 GLN NE2 . 6991 1
53 . 1 1 9 9 SER H H 1 8.39 0.02 . 1 . . . . . 253 SER HN . 6991 1
54 . 1 1 9 9 SER HA H 1 4.38 0.02 . 1 . . . . . 253 SER HA . 6991 1
55 . 1 1 9 9 SER HB2 H 1 3.80 0.02 . 1 . . . . . 253 SER HB2 . 6991 1
56 . 1 1 9 9 SER HB3 H 1 3.80 0.02 . 1 . . . . . 253 SER HB3 . 6991 1
57 . 1 1 9 9 SER CA C 13 58.3 0.10 . 1 . . . . . 253 SER CA . 6991 1
58 . 1 1 9 9 SER N N 15 117.0 0.10 . 1 . . . . . 253 SER N . 6991 1
59 . 1 1 10 10 TRP H H 1 8.12 0.02 . 1 . . . . . 254 TRP HN . 6991 1
60 . 1 1 10 10 TRP HA H 1 4.60 0.02 . 1 . . . . . 254 TRP HA . 6991 1
61 . 1 1 10 10 TRP HB2 H 1 3.24 0.02 . 1 . . . . . 254 TRP HB2 . 6991 1
62 . 1 1 10 10 TRP HB3 H 1 3.24 0.02 . 1 . . . . . 254 TRP HB3 . 6991 1
63 . 1 1 10 10 TRP HD1 H 1 7.20 0.02 . 1 . . . . . 254 TRP HD1 . 6991 1
64 . 1 1 10 10 TRP HE1 H 1 10.14 0.02 . 1 . . . . . 254 TRP HE1 . 6991 1
65 . 1 1 10 10 TRP HE3 H 1 7.53 0.02 . 1 . . . . . 254 TRP HE3 . 6991 1
66 . 1 1 10 10 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . 254 TRP HZ2 . 6991 1
67 . 1 1 10 10 TRP HZ3 H 1 7.09 0.02 . 1 . . . . . 254 TRP HZ3 . 6991 1
68 . 1 1 10 10 TRP HH2 H 1 7.17 0.02 . 1 . . . . . 254 TRP HH2 . 6991 1
69 . 1 1 10 10 TRP CA C 13 57.4 0.10 . 1 . . . . . 254 TRP CA . 6991 1
70 . 1 1 10 10 TRP CB C 13 29.6 0.10 . 1 . . . . . 254 TRP CB . 6991 1
71 . 1 1 10 10 TRP N N 15 123.1 0.10 . 1 . . . . . 254 TRP N . 6991 1
72 . 1 1 10 10 TRP NE1 N 15 129.7 0.10 . 1 . . . . . 254 TRP NE1 . 6991 1
73 . 1 1 11 11 LYS H H 1 7.87 0.02 . 1 . . . . . 255 LYS HN . 6991 1
74 . 1 1 11 11 LYS HA H 1 4.08 0.02 . 1 . . . . . 255 LYS HA . 6991 1
75 . 1 1 11 11 LYS HB2 H 1 1.61 0.02 . 2 . . . . . 255 LYS HB2 . 6991 1
76 . 1 1 11 11 LYS HB3 H 1 1.5 0.02 . 2 . . . . . 255 LYS HB3 . 6991 1
77 . 1 1 11 11 LYS HG2 H 1 1.11 0.02 . 1 . . . . . 255 LYS QG . 6991 1
78 . 1 1 11 11 LYS HG3 H 1 1.11 0.02 . 1 . . . . . 255 LYS QG . 6991 1
79 . 1 1 11 11 LYS HD2 H 1 1.51 0.02 . 1 . . . . . 255 LYS QD . 6991 1
80 . 1 1 11 11 LYS HD3 H 1 1.51 0.02 . 1 . . . . . 255 LYS QD . 6991 1
81 . 1 1 11 11 LYS HE2 H 1 2.88 0.02 . 1 . . . . . 255 LYS QE . 6991 1
82 . 1 1 11 11 LYS HE3 H 1 2.88 0.02 . 1 . . . . . 255 LYS QE . 6991 1
83 . 1 1 11 11 LYS CA C 13 56.0 0.10 . 1 . . . . . 255 LYS CA . 6991 1
84 . 1 1 11 11 LYS CB C 13 33.4 0.10 . 1 . . . . . 255 LYS CB . 6991 1
85 . 1 1 11 11 LYS CG C 13 24.5 0.10 . 1 . . . . . 255 LYS CG . 6991 1
86 . 1 1 11 11 LYS CE C 13 42.0 0.10 . 1 . . . . . 255 LYS CE . 6991 1
87 . 1 1 11 11 LYS N N 15 123.2 0.10 . 1 . . . . . 255 LYS N . 6991 1
88 . 1 1 12 12 GLU H H 1 8.20 0.02 . 1 . . . . . 256 GLU HN . 6991 1
89 . 1 1 12 12 GLU HA H 1 4.06 0.02 . 1 . . . . . 256 GLU HA . 6991 1
90 . 1 1 12 12 GLU HB2 H 1 1.87 0.02 . 2 . . . . . 256 GLU HB2 . 6991 1
91 . 1 1 12 12 GLU HB3 H 1 1.96 0.02 . 2 . . . . . 256 GLU HB3 . 6991 1
92 . 1 1 12 12 GLU HG2 H 1 2.21 0.02 . 1 . . . . . 256 GLU QG . 6991 1
93 . 1 1 12 12 GLU HG3 H 1 2.21 0.02 . 1 . . . . . 256 GLU QG . 6991 1
94 . 1 1 12 12 GLU CA C 13 56.5 0.10 . 1 . . . . . 256 GLU CA . 6991 1
95 . 1 1 12 12 GLU CB C 13 30.1 0.10 . 1 . . . . . 256 GLU CB . 6991 1
96 . 1 1 12 12 GLU CG C 13 36.1 0.10 . 1 . . . . . 256 GLU CG . 6991 1
97 . 1 1 12 12 GLU N N 15 121.7 0.10 . 1 . . . . . 256 GLU N . 6991 1
98 . 1 1 13 13 ASN H H 1 8.46 0.02 . 1 . . . . . 257 ASN HN . 6991 1
99 . 1 1 13 13 ASN HA H 1 4.65 0.02 . 1 . . . . . 257 ASN HA . 6991 1
100 . 1 1 13 13 ASN HB2 H 1 2.78 0.02 . 2 . . . . . 257 ASN HB2 . 6991 1
101 . 1 1 13 13 ASN HB3 H 1 2.70 0.02 . 2 . . . . . 257 ASN HB3 . 6991 1
102 . 1 1 13 13 ASN HD21 H 1 6.90 0.02 . 2 . . . . . 257 ASN HD21 . 6991 1
103 . 1 1 13 13 ASN HD22 H 1 7.60 0.02 . 2 . . . . . 257 ASN HD22 . 6991 1
104 . 1 1 13 13 ASN CA C 13 53.1 0.10 . 1 . . . . . 257 ASN CA . 6991 1
105 . 1 1 13 13 ASN CB C 13 38.7 0.10 . 1 . . . . . 257 ASN CB . 6991 1
106 . 1 1 13 13 ASN N N 15 119.7 0.10 . 1 . . . . . 257 ASN N . 6991 1
107 . 1 1 13 13 ASN ND2 N 15 112.9 0.10 . 1 . . . . . 257 ASN ND3 . 6991 1
108 . 1 1 14 14 SER H H 1 8.21 0.02 . 1 . . . . . 258 SER HN . 6991 1
109 . 1 1 14 14 SER HA H 1 4.69 0.02 . 1 . . . . . 258 SER HA . 6991 1
110 . 1 1 14 14 SER HB2 H 1 3.78 0.02 . 1 . . . . . 258 SER HB2 . 6991 1
111 . 1 1 14 14 SER HB3 H 1 3.78 0.02 . 1 . . . . . 258 SER HB3 . 6991 1
112 . 1 1 14 14 SER CA C 13 56.4 0.10 . 1 . . . . . 258 SER CA . 6991 1
113 . 1 1 14 14 SER CB C 13 63.4 0.10 . 1 . . . . . 258 SER CB . 6991 1
114 . 1 1 14 14 SER N N 15 117.4 0.10 . 1 . . . . . 258 SER N . 6991 1
115 . 1 1 15 15 PRO HA H 1 4.38 0.02 . 1 . . . . . 259 PRO HA . 6991 1
116 . 1 1 15 15 PRO HB2 H 1 2.25 0.02 . 2 . . . . . 259 PRO HB2 . 6991 1
117 . 1 1 15 15 PRO HB3 H 1 1.89 0.02 . 2 . . . . . 259 PRO HB3 . 6991 1
118 . 1 1 15 15 PRO HG2 H 1 1.96 0.02 . 1 . . . . . 259 PRO HG . 6991 1
119 . 1 1 15 15 PRO HG3 H 1 1.96 0.02 . 1 . . . . . 259 PRO HG . 6991 1
120 . 1 1 15 15 PRO HD2 H 1 3.78 0.02 . 2 . . . . . 259 PRO HD2 . 6991 1
121 . 1 1 15 15 PRO HD3 H 1 3.83 0.02 . 2 . . . . . 259 PRO HD3 . 6991 1
122 . 1 1 15 15 PRO CA C 13 63.3 0.10 . 1 . . . . . 259 PRO CA . 6991 1
123 . 1 1 16 16 LEU H H 1 8.24 0.02 . 1 . . . . . 260 LEU HN . 6991 1
124 . 1 1 16 16 LEU HA H 1 4.24 0.02 . 1 . . . . . 260 LEU HA . 6991 1
125 . 1 1 16 16 LEU HB2 H 1 1.55 0.02 . 1 . . . . . 260 LEU HB2 . 6991 1
126 . 1 1 16 16 LEU HB3 H 1 1.55 0.02 . 1 . . . . . 260 LEU HB3 . 6991 1
127 . 1 1 16 16 LEU HG H 1 1.61 0.02 . 1 . . . . . 260 LEU HG2 . 6991 1
128 . 1 1 16 16 LEU HD21 H 1 0.82 0.02 . 2 . . . . . 260 LEU HD3 . 6991 1
129 . 1 1 16 16 LEU HD22 H 1 0.82 0.02 . 2 . . . . . 260 LEU HD3 . 6991 1
130 . 1 1 16 16 LEU HD23 H 1 0.82 0.02 . 2 . . . . . 260 LEU HD3 . 6991 1
131 . 1 1 16 16 LEU HD11 H 1 0.87 0.02 . 2 . . . . . 260 LEU HD2 . 6991 1
132 . 1 1 16 16 LEU HD12 H 1 0.87 0.02 . 2 . . . . . 260 LEU HD2 . 6991 1
133 . 1 1 16 16 LEU HD13 H 1 0.87 0.02 . 2 . . . . . 260 LEU HD2 . 6991 1
134 . 1 1 16 16 LEU CA C 13 55.3 0.10 . 1 . . . . . 260 LEU CA . 6991 1
135 . 1 1 16 16 LEU CB C 13 42.3 0.10 . 1 . . . . . 260 LEU CB . 6991 1
136 . 1 1 16 16 LEU CG C 13 27.1 0.10 . 1 . . . . . 260 LEU CG . 6991 1
137 . 1 1 16 16 LEU CD1 C 13 23.5 0.10 . 1 . . . . . 260 LEU CD . 6991 1
138 . 1 1 16 16 LEU CD2 C 13 23.5 0.10 . 1 . . . . . 260 LEU CD . 6991 1
139 . 1 1 16 16 LEU N N 15 121.3 0.10 . 1 . . . . . 260 LEU N . 6991 1
140 . 1 1 17 17 ASN H H 1 8.34 0.02 . 1 . . . . . 261 ASN HN . 6991 1
141 . 1 1 17 17 ASN HA H 1 4.69 0.02 . 1 . . . . . 261 ASN HA . 6991 1
142 . 1 1 17 17 ASN HB2 H 1 2.80 0.02 . 2 . . . . . 261 ASN HB2 . 6991 1
143 . 1 1 17 17 ASN HB3 H 1 2.70 0.02 . 2 . . . . . 261 ASN HB3 . 6991 1
144 . 1 1 17 17 ASN HD21 H 1 6.89 0.02 . 2 . . . . . 261 ASN HD21 . 6991 1
145 . 1 1 17 17 ASN HD22 H 1 7.60 0.02 . 2 . . . . . 261 ASN HD22 . 6991 1
146 . 1 1 17 17 ASN CA C 13 53.1 0.10 . 1 . . . . . 261 ASN CA . 6991 1
147 . 1 1 17 17 ASN CB C 13 38.7 0.10 . 1 . . . . . 261 ASN CB . 6991 1
148 . 1 1 17 17 ASN N N 15 119.5 0.10 . 1 . . . . . 261 ASN N . 6991 1
149 . 1 1 17 17 ASN ND2 N 15 113.1 0.10 . 1 . . . . . 261 ASN ND3 . 6991 1
150 . 1 1 18 18 VAL H H 1 8.13 0.02 . 1 . . . . . 262 VAL HN . 6991 1
151 . 1 1 18 18 VAL HA H 1 4.15 0.02 . 1 . . . . . 262 VAL HA . 6991 1
152 . 1 1 18 18 VAL HB H 1 2.12 0.02 . 1 . . . . . 262 VAL HB . 6991 1
153 . 1 1 18 18 VAL HG11 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
154 . 1 1 18 18 VAL HG12 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
155 . 1 1 18 18 VAL HG13 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
156 . 1 1 18 18 VAL HG21 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
157 . 1 1 18 18 VAL HG22 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
158 . 1 1 18 18 VAL HG23 H 1 0.89 0.02 . 1 . . . . . 262 VAL HG . 6991 1
159 . 1 1 18 18 VAL CA C 13 62.22 0.10 . 1 . . . . . 262 VAL CA . 6991 1
160 . 1 1 18 18 VAL CB C 13 32.75 0.10 . 1 . . . . . 262 VAL CB . 6991 1
161 . 1 1 18 18 VAL CG1 C 13 20.37 0.10 . 1 . . . . . 262 VAL CG . 6991 1
162 . 1 1 18 18 VAL N N 15 120.3 0.10 . 1 . . . . . 262 VAL N . 6991 1
163 . 1 1 19 19 SER H H 1 8.36 0.02 . 1 . . . . . 263 SER HN . 6991 1
164 . 1 1 19 19 SER HA H 1 4.38 0.02 . 1 . . . . . 263 SER HA . 6991 1
165 . 1 1 19 19 SER HB2 H 1 3.86 0.02 . 1 . . . . . 263 SER HB2 . 6991 1
166 . 1 1 19 19 SER HB3 H 1 3.86 0.02 . 1 . . . . . 263 SER HB3 . 6991 1
167 . 1 1 19 19 SER CA C 13 58.3 0.10 . 1 . . . . . 263 SER CA . 6991 1
168 . 1 1 19 19 SER CB C 13 63.7 0.10 . 1 . . . . . 263 SER CB . 6991 1
169 . 1 1 19 19 SER N N 15 119.7 0.10 . 1 . . . . . 263 SER N . 6991 1
170 . 2 1 15 15 PRO HA H 1 4.72 0.02 . 1 . . . . . 259 PRO HA . 6991 1
171 . 2 1 15 15 PRO HB2 H 1 2.09 0.02 . 1 . . . . . 259 PRO HB2 . 6991 1
172 . 2 1 15 15 PRO HB3 H 1 2.30 0.02 . 1 . . . . . 259 PRO HB3 . 6991 1
173 . 2 1 15 15 PRO HG2 H 1 1.91 0.02 . 1 . . . . . 259 PRO HG . 6991 1
174 . 2 1 15 15 PRO HG3 H 1 1.78 0.02 . 1 . . . . . 259 PRO HG . 6991 1
175 . 2 1 15 15 PRO HD2 H 1 3.47 0.02 . 1 . . . . . 259 PRO HD . 6991 1
176 . 2 1 15 15 PRO HD3 H 1 3.47 0.02 . 1 . . . . . 259 PRO HD . 6991 1
stop_
save_