###################################
# 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 51492
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name tdp43_formA
_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 '2D 1H-15N HSQC' . . . 51492 1
2 '3D HNCA' . . . 51492 1
3 '3D HN(CO)CA' . . . 51492 1
4 '3D HNCACB' . . . 51492 1
5 '3D HNCO' . . . 51492 1
6 '3D HN(CA)CO' . . . 51492 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 $software_1 . . 51492 1
2 $software_2 . . 51492 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 MET H H 1 8.09203 . . 1 . . . . . 1 M HN . 51492 1
2 . 1 . 1 1 1 MET C C 13 177.208 . . 1 . . . . . 1 M CO . 51492 1
3 . 1 . 1 1 1 MET CA C 13 57.8606 . . 1 . . . . . 1 M CA . 51492 1
4 . 1 . 1 1 1 MET CB C 13 30.6836 . . 1 . . . . . 1 M CB . 51492 1
5 . 1 . 1 1 1 MET N N 15 120.093 . . 1 . . . . . 1 M N . 51492 1
6 . 1 . 1 2 2 SER H H 1 8.07203 . . 1 . . . . . 2 S HN . 51492 1
7 . 1 . 1 2 2 SER C C 13 175.793 . . 1 . . . . . 2 S CO . 51492 1
8 . 1 . 1 2 2 SER CA C 13 61.4966 . . 1 . . . . . 2 S CA . 51492 1
9 . 1 . 1 2 2 SER CB C 13 62.7706 . . 1 . . . . . 2 S CB . 51492 1
10 . 1 . 1 2 2 SER N N 15 114.118 . . 1 . . . . . 2 S N . 51492 1
11 . 1 . 1 3 3 GLU H H 1 7.91603 . . 1 . . . . . 3 E HN . 51492 1
12 . 1 . 1 3 3 GLU C C 13 177.302 . . 1 . . . . . 3 E CO . 51492 1
13 . 1 . 1 3 3 GLU CA C 13 58.0386 . . 1 . . . . . 3 E CA . 51492 1
14 . 1 . 1 3 3 GLU CB C 13 31.4816 . . 1 . . . . . 3 E CB . 51492 1
15 . 1 . 1 3 3 GLU N N 15 119.693 . . 1 . . . . . 3 E N . 51492 1
16 . 1 . 1 4 4 TYR H H 1 7.79303 . . 1 . . . . . 4 Y HN . 51492 1
17 . 1 . 1 4 4 TYR C C 13 176.168 . . 1 . . . . . 4 Y CO . 51492 1
18 . 1 . 1 4 4 TYR CA C 13 59.8106 . . 1 . . . . . 4 Y CA . 51492 1
19 . 1 . 1 4 4 TYR CB C 13 39.1706 . . 1 . . . . . 4 Y CB . 51492 1
20 . 1 . 1 4 4 TYR N N 15 117.865 . . 1 . . . . . 4 Y N . 51492 1
21 . 1 . 1 5 5 ILE H H 1 7.63903 . . 1 . . . . . 5 I HN . 51492 1
22 . 1 . 1 5 5 ILE C C 13 175.1 . . 1 . . . . . 5 I CO . 51492 1
23 . 1 . 1 5 5 ILE CA C 13 61.6436 . . 1 . . . . . 5 I CA . 51492 1
24 . 1 . 1 5 5 ILE CB C 13 38.5296 . . 1 . . . . . 5 I CB . 51492 1
25 . 1 . 1 5 5 ILE N N 15 115.013 . . 1 . . . . . 5 I N . 51492 1
26 . 1 . 1 6 6 ARG H H 1 7.70003 . . 1 . . . . . 6 R HN . 51492 1
27 . 1 . 1 6 6 ARG C C 13 176.395 . . 1 . . . . . 6 R CO . 51492 1
28 . 1 . 1 6 6 ARG CA C 13 56.7226 . . 1 . . . . . 6 R CA . 51492 1
29 . 1 . 1 6 6 ARG CB C 13 30.7296 . . 1 . . . . . 6 R CB . 51492 1
30 . 1 . 1 6 6 ARG N N 15 121.643 . . 1 . . . . . 6 R N . 51492 1
31 . 1 . 1 7 7 VAL H H 1 8.14103 . . 1 . . . . . 7 V HN . 51492 1
32 . 1 . 1 7 7 VAL C C 13 176.094 . . 1 . . . . . 7 V CO . 51492 1
33 . 1 . 1 7 7 VAL CA C 13 62.6716 . . 1 . . . . . 7 V CA . 51492 1
34 . 1 . 1 7 7 VAL CB C 13 32.6096 . . 1 . . . . . 7 V CB . 51492 1
35 . 1 . 1 7 7 VAL N N 15 119.052 . . 1 . . . . . 7 V N . 51492 1
36 . 1 . 1 8 8 THR H H 1 7.93803 . . 1 . . . . . 8 T HN . 51492 1
37 . 1 . 1 8 8 THR C C 13 174.35 . . 1 . . . . . 8 T CO . 51492 1
38 . 1 . 1 8 8 THR CA C 13 61.8046 . . 1 . . . . . 8 T CA . 51492 1
39 . 1 . 1 8 8 THR CB C 13 69.8566 . . 1 . . . . . 8 T CB . 51492 1
40 . 1 . 1 8 8 THR N N 15 115.304 . . 1 . . . . . 8 T N . 51492 1
41 . 1 . 1 9 9 GLU H H 1 8.34703 . . 1 . . . . . 9 E HN . 51492 1
42 . 1 . 1 9 9 GLU C C 13 176.065 . . 1 . . . . . 9 E CO . 51492 1
43 . 1 . 1 9 9 GLU CA C 13 56.5986 . . 1 . . . . . 9 E CA . 51492 1
44 . 1 . 1 9 9 GLU CB C 13 30.4416 . . 1 . . . . . 9 E CB . 51492 1
45 . 1 . 1 9 9 GLU N N 15 122.456 . . 1 . . . . . 9 E N . 51492 1
46 . 1 . 1 10 10 ASP H H 1 8.31103 . . 1 . . . . . 10 D HN . 51492 1
47 . 1 . 1 10 10 ASP C C 13 176.226 . . 1 . . . . . 10 D CO . 51492 1
48 . 1 . 1 10 10 ASP CA C 13 54.4226 . . 1 . . . . . 10 D CA . 51492 1
49 . 1 . 1 10 10 ASP CB C 13 41.4676 . . 1 . . . . . 10 D CB . 51492 1
50 . 1 . 1 10 10 ASP N N 15 121.291 . . 1 . . . . . 10 D N . 51492 1
51 . 1 . 1 11 11 GLU H H 1 8.42703 . . 1 . . . . . 11 E HN . 51492 1
52 . 1 . 1 11 11 GLU C C 13 176.157 . . 1 . . . . . 11 E CO . 51492 1
53 . 1 . 1 11 11 GLU CA C 13 56.6776 . . 1 . . . . . 11 E CA . 51492 1
54 . 1 . 1 11 11 GLU CB C 13 30.1536 . . 1 . . . . . 11 E CB . 51492 1
55 . 1 . 1 11 11 GLU N N 15 121.405 . . 1 . . . . . 11 E N . 51492 1
56 . 1 . 1 12 12 ASN H H 1 8.44803 . . 1 . . . . . 12 N HN . 51492 1
57 . 1 . 1 12 12 ASN C C 13 174.689 . . 1 . . . . . 12 N CO . 51492 1
58 . 1 . 1 12 12 ASN CA C 13 53.3086 . . 1 . . . . . 12 N CA . 51492 1
59 . 1 . 1 12 12 ASN CB C 13 39.4066 . . 1 . . . . . 12 N CB . 51492 1
60 . 1 . 1 12 12 ASN N N 15 119.552 . . 1 . . . . . 12 N N . 51492 1
61 . 1 . 1 13 13 ASP H H 1 8.28803 . . 1 . . . . . 13 D HN . 51492 1
62 . 1 . 1 13 13 ASP C C 13 175.768 . . 1 . . . . . 13 D CO . 51492 1
63 . 1 . 1 13 13 ASP CA C 13 54.1646 . . 1 . . . . . 13 D CA . 51492 1
64 . 1 . 1 13 13 ASP CB C 13 41.3246 . . 1 . . . . . 13 D CB . 51492 1
65 . 1 . 1 13 13 ASP N N 15 121.316 . . 1 . . . . . 13 D N . 51492 1
66 . 1 . 1 14 14 GLU H H 1 8.20603 . . 1 . . . . . 14 E HN . 51492 1
67 . 1 . 1 14 14 GLU C C 13 174.306 . . 1 . . . . . 14 E CO . 51492 1
68 . 1 . 1 14 14 GLU CA C 13 54.2636 . . 1 . . . . . 14 E CA . 51492 1
69 . 1 . 1 14 14 GLU CB C 13 29.9296 . . 1 . . . . . 14 E CB . 51492 1
70 . 1 . 1 14 14 GLU N N 15 122.306 . . 1 . . . . . 14 E N . 51492 1
71 . 1 . 1 15 15 PRO C C 13 176.595 . . 1 . . . . . 15 P CO . 51492 1
72 . 1 . 1 15 15 PRO CA C 13 62.9196 . . 1 . . . . . 15 P CA . 51492 1
73 . 1 . 1 15 15 PRO CB C 13 32.0846 . . 1 . . . . . 15 P CB . 51492 1
74 . 1 . 1 16 16 ILE H H 1 8.20503 . . 1 . . . . . 16 I HN . 51492 1
75 . 1 . 1 16 16 ILE C C 13 175.579 . . 1 . . . . . 16 I CO . 51492 1
76 . 1 . 1 16 16 ILE CA C 13 60.9246 . . 1 . . . . . 16 I CA . 51492 1
77 . 1 . 1 16 16 ILE CB C 13 38.9976 . . 1 . . . . . 16 I CB . 51492 1
78 . 1 . 1 16 16 ILE N N 15 121.155 . . 1 . . . . . 16 I N . 51492 1
79 . 1 . 1 17 17 GLU H H 1 8.31003 . . 1 . . . . . 17 E HN . 51492 1
80 . 1 . 1 17 17 GLU C C 13 175.482 . . 1 . . . . . 17 E CO . 51492 1
81 . 1 . 1 17 17 GLU CA C 13 55.6886 . . 1 . . . . . 17 E CA . 51492 1
82 . 1 . 1 17 17 GLU CB C 13 30.8076 . . 1 . . . . . 17 E CB . 51492 1
83 . 1 . 1 17 17 GLU N N 15 125.536 . . 1 . . . . . 17 E N . 51492 1
84 . 1 . 1 18 18 ILE H H 1 8.37503 . . 1 . . . . . 18 I HN . 51492 1
85 . 1 . 1 18 18 ILE C C 13 174.371 . . 1 . . . . . 18 I CO . 51492 1
86 . 1 . 1 18 18 ILE CA C 13 58.2896 . . 1 . . . . . 18 I CA . 51492 1
87 . 1 . 1 18 18 ILE CB C 13 38.5626 . . 1 . . . . . 18 I CB . 51492 1
88 . 1 . 1 18 18 ILE N N 15 124.483 . . 1 . . . . . 18 I N . 51492 1
89 . 1 . 1 19 19 PRO C C 13 176.36 . . 1 . . . . . 19 P CO . 51492 1
90 . 1 . 1 19 19 PRO CA C 13 62.9926 . . 1 . . . . . 19 P CA . 51492 1
91 . 1 . 1 20 20 SER H H 1 8.01903 . . 1 . . . . . 20 S HN . 51492 1
92 . 1 . 1 20 20 SER CA C 13 59.0946 . . 1 . . . . . 20 S CA . 51492 1
93 . 1 . 1 20 20 SER CB C 13 63.6446 . . 1 . . . . . 20 S CB . 51492 1
94 . 1 . 1 20 20 SER N N 15 117.251 . . 1 . . . . . 20 S N . 51492 1
95 . 1 . 1 22 22 ASP H H 1 8.32803 . . 1 . . . . . 22 D HN . 51492 1
96 . 1 . 1 22 22 ASP C C 13 175.989 . . 1 . . . . . 22 D CO . 51492 1
97 . 1 . 1 22 22 ASP CA C 13 53.9526 . . 1 . . . . . 22 D CA . 51492 1
98 . 1 . 1 22 22 ASP CB C 13 41.3626 . . 1 . . . . . 22 D CB . 51492 1
99 . 1 . 1 22 22 ASP N N 15 123.806 . . 1 . . . . . 22 D N . 51492 1
100 . 1 . 1 23 23 ASP H H 1 8.35003 . . 1 . . . . . 23 D HN . 51492 1
101 . 1 . 1 23 23 ASP C C 13 177.543 . . 1 . . . . . 23 D CO . 51492 1
102 . 1 . 1 23 23 ASP CA C 13 55.2066 . . 1 . . . . . 23 D CA . 51492 1
103 . 1 . 1 23 23 ASP CB C 13 41.8926 . . 1 . . . . . 23 D CB . 51492 1
104 . 1 . 1 23 23 ASP N N 15 123.259 . . 1 . . . . . 23 D N . 51492 1
105 . 1 . 1 24 24 GLY H H 1 8.48903 . . 1 . . . . . 24 G HN . 51492 1
106 . 1 . 1 24 24 GLY C C 13 174.811 . . 1 . . . . . 24 G CO . 51492 1
107 . 1 . 1 24 24 GLY CA C 13 46.0186 . . 1 . . . . . 24 G CA . 51492 1
108 . 1 . 1 24 24 GLY N N 15 108.07 . . 1 . . . . . 24 G N . 51492 1
109 . 1 . 1 25 25 THR H H 1 8.30803 . . 1 . . . . . 25 T HN . 51492 1
110 . 1 . 1 25 25 THR C C 13 176.7446 . . 1 . . . . . 25 T CO . 51492 1
111 . 1 . 1 25 25 THR CA C 13 65.1346 . . 1 . . . . . 25 T CA . 51492 1
112 . 1 . 1 25 25 THR CB C 13 68.9886 . . 1 . . . . . 25 T CB . 51492 1
113 . 1 . 1 25 25 THR N N 15 117.914 . . 1 . . . . . 25 T N . 51492 1
114 . 1 . 1 26 26 VAL H H 1 8.75303 . . 1 . . . . . 26 V HN . 51492 1
115 . 1 . 1 26 26 VAL C C 13 178.938 . . 1 . . . . . 26 V CO . 51492 1
116 . 1 . 1 26 26 VAL CA C 13 65.9636 . . 1 . . . . . 26 V CA . 51492 1
117 . 1 . 1 26 26 VAL N N 15 123.71 . . 1 . . . . . 26 V N . 51492 1
118 . 1 . 1 27 27 LEU H H 1 8.32803 . . 1 . . . . . 27 L HN . 51492 1
119 . 1 . 1 27 27 LEU C C 13 178.373 . . 1 . . . . . 27 L CO . 51492 1
120 . 1 . 1 27 27 LEU CA C 13 58.3276 . . 1 . . . . . 27 L CA . 51492 1
121 . 1 . 1 27 27 LEU CB C 13 41.8596 . . 1 . . . . . 27 L CB . 51492 1
122 . 1 . 1 27 27 LEU N N 15 123.846 . . 1 . . . . . 27 L N . 51492 1
123 . 1 . 1 28 28 LEU H H 1 8.37303 . . 1 . . . . . 28 L HN . 51492 1
124 . 1 . 1 28 28 LEU C C 13 179.25 . . 1 . . . . . 28 L CO . 51492 1
125 . 1 . 1 28 28 LEU CA C 13 58.0536 . . 1 . . . . . 28 L CA . 51492 1
126 . 1 . 1 28 28 LEU CB C 13 41.6746 . . 1 . . . . . 28 L CB . 51492 1
127 . 1 . 1 28 28 LEU N N 15 118.51 . . 1 . . . . . 28 L N . 51492 1
128 . 1 . 1 29 29 SER H H 1 8.35803 . . 1 . . . . . 29 S HN . 51492 1
129 . 1 . 1 29 29 SER C C 13 175.163 . . 1 . . . . . 29 S CO . 51492 1
130 . 1 . 1 29 29 SER CA C 13 61.4776 . . 1 . . . . . 29 S CA . 51492 1
131 . 1 . 1 29 29 SER CB C 13 62.7446 . . 1 . . . . . 29 S CB . 51492 1
132 . 1 . 1 29 29 SER N N 15 115.647 . . 1 . . . . . 29 S N . 51492 1
133 . 1 . 1 30 30 THR H H 1 8.06903 . . 1 . . . . . 30 T HN . 51492 1
134 . 1 . 1 30 30 THR C C 13 176.063 . . 1 . . . . . 30 T CO . 51492 1
135 . 1 . 1 30 30 THR CA C 13 66.2086 . . 1 . . . . . 30 T CA . 51492 1
136 . 1 . 1 30 30 THR CB C 13 68.5436 . . 1 . . . . . 30 T CB . 51492 1
137 . 1 . 1 30 30 THR N N 15 117.664 . . 1 . . . . . 30 T N . 51492 1
138 . 1 . 1 31 31 VAL H H 1 8.12003 . . 1 . . . . . 31 V HN . 51492 1
139 . 1 . 1 31 31 VAL C C 13 177.373 . . 1 . . . . . 31 V CO . 51492 1
140 . 1 . 1 31 31 VAL CA C 13 66.3576 . . 1 . . . . . 31 V CA . 51492 1
141 . 1 . 1 31 31 VAL CB C 13 31.7226 . . 1 . . . . . 31 V CB . 51492 1
142 . 1 . 1 31 31 VAL N N 15 119.968 . . 1 . . . . . 31 V N . 51492 1
143 . 1 . 1 32 32 THR H H 1 8.14903 . . 1 . . . . . 32 T HN . 51492 1
144 . 1 . 1 32 32 THR C C 13 175.91 . . 1 . . . . . 32 T CO . 51492 1
145 . 1 . 1 32 32 THR CA C 13 65.3476 . . 1 . . . . . 32 T CA . 51492 1
146 . 1 . 1 32 32 THR CB C 13 68.9276 . . 1 . . . . . 32 T CB . 51492 1
147 . 1 . 1 32 32 THR N N 15 111.52 . . 1 . . . . . 32 T N . 51492 1
148 . 1 . 1 33 33 ALA H H 1 7.53703 . . 1 . . . . . 33 A HN . 51492 1
149 . 1 . 1 33 33 ALA C C 13 178.616 . . 1 . . . . . 33 A CO . 51492 1
150 . 1 . 1 33 33 ALA CA C 13 53.8566 . . 1 . . . . . 33 A CA . 51492 1
151 . 1 . 1 33 33 ALA CB C 13 18.9376 . . 1 . . . . . 33 A CB . 51492 1
152 . 1 . 1 33 33 ALA N N 15 121.679 . . 1 . . . . . 33 A N . 51492 1
153 . 1 . 1 34 34 GLN H H 1 7.68003 . . 1 . . . . . 34 Q HN . 51492 1
154 . 1 . 1 34 34 GLN C C 13 175.204 . . 1 . . . . . 34 Q CO . 51492 1
155 . 1 . 1 34 34 GLN CA C 13 55.6386 . . 1 . . . . . 34 Q CA . 51492 1
156 . 1 . 1 34 34 GLN CB C 13 28.8736 . . 1 . . . . . 34 Q CB . 51492 1
157 . 1 . 1 34 34 GLN N N 15 114.284 . . 1 . . . . . 34 Q N . 51492 1
158 . 1 . 1 35 35 PHE H H 1 7.78503 . . 1 . . . . . 35 F HN . 51492 1
159 . 1 . 1 35 35 PHE C C 13 175.234 . . 1 . . . . . 35 F CO . 51492 1
160 . 1 . 1 35 35 PHE CA C 13 55.7526 . . 1 . . . . . 35 F CA . 51492 1
161 . 1 . 1 35 35 PHE CB C 13 39.3566 . . 1 . . . . . 35 F CB . 51492 1
162 . 1 . 1 35 35 PHE N N 15 117.791 . . 1 . . . . . 35 F N . 51492 1
163 . 1 . 1 36 36 PRO C C 13 177.53 . . 1 . . . . . 36 P CO . 51492 1
164 . 1 . 1 36 36 PRO CA C 13 64.6906 . . 1 . . . . . 36 P CA . 51492 1
165 . 1 . 1 37 37 GLY H H 1 8.48003 . . 1 . . . . . 37 G HN . 51492 1
166 . 1 . 1 37 37 GLY C C 13 175.126 . . 1 . . . . . 37 G CO . 51492 1
167 . 1 . 1 37 37 GLY CA C 13 45.8326 . . 1 . . . . . 37 G CA . 51492 1
168 . 1 . 1 37 37 GLY N N 15 107.704 . . 1 . . . . . 37 G N . 51492 1
169 . 1 . 1 38 38 ALA H H 1 8.10303 . . 1 . . . . . 38 A HN . 51492 1
170 . 1 . 1 38 38 ALA C C 13 177.612 . . 1 . . . . . 38 A CO . 51492 1
171 . 1 . 1 38 38 ALA CA C 13 53.3006 . . 1 . . . . . 38 A CA . 51492 1
172 . 1 . 1 38 38 ALA CB C 13 19.3106 . . 1 . . . . . 38 A CB . 51492 1
173 . 1 . 1 38 38 ALA N N 15 123.411 . . 1 . . . . . 38 A N . 51492 1
174 . 1 . 1 39 39 CYS H H 1 8.04703 . . 1 . . . . . 39 C HN . 51492 1
175 . 1 . 1 39 39 CYS C C 13 174.353 . . 1 . . . . . 39 C CO . 51492 1
176 . 1 . 1 39 39 CYS CA C 13 59.3646 . . 1 . . . . . 39 C CA . 51492 1
177 . 1 . 1 39 39 CYS CB C 13 28.0376 . . 1 . . . . . 39 C CB . 51492 1
178 . 1 . 1 39 39 CYS N N 15 113.844 . . 1 . . . . . 39 C N . 51492 1
179 . 1 . 1 40 40 GLY H H 1 8.03603 . . 1 . . . . . 40 G HN . 51492 1
180 . 1 . 1 40 40 GLY C C 13 173.957 . . 1 . . . . . 40 G CO . 51492 1
181 . 1 . 1 40 40 GLY CA C 13 45.5996 . . 1 . . . . . 40 G CA . 51492 1
182 . 1 . 1 40 40 GLY N N 15 107.796 . . 1 . . . . . 40 G N . 51492 1
183 . 1 . 1 41 41 LEU H H 1 8.00103 . . 1 . . . . . 41 L HN . 51492 1
184 . 1 . 1 41 41 LEU C C 13 175.714 . . 1 . . . . . 41 L CO . 51492 1
185 . 1 . 1 41 41 LEU CA C 13 55.1216 . . 1 . . . . . 41 L CA . 51492 1
186 . 1 . 1 41 41 LEU CB C 13 42.2646 . . 1 . . . . . 41 L CB . 51492 1
187 . 1 . 1 41 41 LEU N N 15 120.579 . . 1 . . . . . 41 L N . 51492 1
188 . 1 . 1 42 42 ARG H H 1 7.66803 . . 1 . . . . . 42 R HN . 51492 1
189 . 1 . 1 42 42 ARG C C 13 180.398 . . 1 . . . . . 42 R CO . 51492 1
190 . 1 . 1 42 42 ARG CA C 13 57.2096 . . 1 . . . . . 42 R CA . 51492 1
191 . 1 . 1 42 42 ARG CB C 13 31.8246 . . 1 . . . . . 42 R CB . 51492 1
192 . 1 . 1 42 42 ARG N N 15 124.813 . . 1 . . . . . 42 R N . 51492 1
193 . 1 . 1 43 43 TYR H H 1 8.53103 . . 1 . . . . . 43 Y HN . 51492 1
194 . 1 . 1 43 43 TYR CA C 13 60.5666 . . 1 . . . . . 43 Y CA . 51492 1
195 . 1 . 1 43 43 TYR N N 15 118.475 . . 1 . . . . . 43 Y N . 51492 1
196 . 1 . 1 46 46 PRO C C 13 177.053 . . 1 . . . . . 46 P CO . 51492 1
197 . 1 . 1 46 46 PRO CA C 13 63.7216 . . 1 . . . . . 46 P CA . 51492 1
198 . 1 . 1 47 47 VAL H H 1 8.09203 . . 1 . . . . . 47 V HN . 51492 1
199 . 1 . 1 47 47 VAL C C 13 176.447 . . 1 . . . . . 47 V CO . 51492 1
200 . 1 . 1 47 47 VAL CA C 13 63.0296 . . 1 . . . . . 47 V CA . 51492 1
201 . 1 . 1 47 47 VAL CB C 13 32.1956 . . 1 . . . . . 47 V CB . 51492 1
202 . 1 . 1 47 47 VAL N N 15 118.149 . . 1 . . . . . 47 V N . 51492 1
203 . 1 . 1 48 48 SER H H 1 8.48203 . . 1 . . . . . 48 S HN . 51492 1
204 . 1 . 1 48 48 SER C C 13 174.745 . . 1 . . . . . 48 S CO . 51492 1
205 . 1 . 1 48 48 SER CA C 13 58.4626 . . 1 . . . . . 48 S CA . 51492 1
206 . 1 . 1 48 48 SER CB C 13 64.2036 . . 1 . . . . . 48 S CB . 51492 1
207 . 1 . 1 48 48 SER N N 15 116.399 . . 1 . . . . . 48 S N . 51492 1
208 . 1 . 1 49 49 GLN H H 1 8.54703 . . 1 . . . . . 49 Q HN . 51492 1
209 . 1 . 1 49 49 GLN C C 13 176.175 . . 1 . . . . . 49 Q CO . 51492 1
210 . 1 . 1 49 49 GLN CA C 13 56.7446 . . 1 . . . . . 49 Q CA . 51492 1
211 . 1 . 1 49 49 GLN CB C 13 30.3236 . . 1 . . . . . 49 Q CB . 51492 1
212 . 1 . 1 49 49 GLN N N 15 121.859 . . 1 . . . . . 49 Q N . 51492 1
213 . 1 . 1 52 52 ARG H H 1 8.45003 . . 1 . . . . . 52 R HN . 51492 1
214 . 1 . 1 52 52 ARG C C 13 174.796 . . 1 . . . . . 52 R CO . 51492 1
215 . 1 . 1 52 52 ARG CA C 13 58.7906 . . 1 . . . . . 52 R CA . 51492 1
216 . 1 . 1 52 52 ARG N N 15 117.716 . . 1 . . . . . 52 R N . 51492 1
217 . 1 . 1 53 53 GLY H H 1 8.35603 . . 1 . . . . . 53 G HN . 51492 1
218 . 1 . 1 53 53 GLY C C 13 173.802 . . 1 . . . . . 53 G CO . 51492 1
219 . 1 . 1 53 53 GLY CA C 13 45.4206 . . 1 . . . . . 53 G CA . 51492 1
220 . 1 . 1 53 53 GLY N N 15 110.064 . . 1 . . . . . 53 G N . 51492 1
221 . 1 . 1 54 54 VAL H H 1 7.86903 . . 1 . . . . . 54 V HN . 51492 1
222 . 1 . 1 54 54 VAL C C 13 175.015 . . 1 . . . . . 54 V CO . 51492 1
223 . 1 . 1 54 54 VAL CA C 13 61.8796 . . 1 . . . . . 54 V CA . 51492 1
224 . 1 . 1 54 54 VAL CB C 13 32.8976 . . 1 . . . . . 54 V CB . 51492 1
225 . 1 . 1 54 54 VAL N N 15 118.424 . . 1 . . . . . 54 V N . 51492 1
226 . 1 . 1 57 57 VAL C C 13 175.657 . . 1 . . . . . 57 V CO . 51492 1
227 . 1 . 1 57 57 VAL CA C 13 62.2206 . . 1 . . . . . 57 V CA . 51492 1
228 . 1 . 1 57 57 VAL CB C 13 32.6036 . . 1 . . . . . 57 V CB . 51492 1
229 . 1 . 1 58 58 GLU H H 1 8.85303 . . 1 . . . . . 58 E HN . 51492 1
230 . 1 . 1 58 58 GLU C C 13 177.002 . . 1 . . . . . 58 E CO . 51492 1
231 . 1 . 1 58 58 GLU CA C 13 57.8416 . . 1 . . . . . 58 E CA . 51492 1
232 . 1 . 1 58 58 GLU CB C 13 29.8246 . . 1 . . . . . 58 E CB . 51492 1
233 . 1 . 1 58 58 GLU N N 15 123.855 . . 1 . . . . . 58 E N . 51492 1
234 . 1 . 1 59 59 GLY H H 1 8.38503 . . 1 . . . . . 59 G HN . 51492 1
235 . 1 . 1 59 59 GLY C C 13 174.386 . . 1 . . . . . 59 G CO . 51492 1
236 . 1 . 1 59 59 GLY CA C 13 45.6226 . . 1 . . . . . 59 G CA . 51492 1
237 . 1 . 1 59 59 GLY N N 15 108.762 . . 1 . . . . . 59 G N . 51492 1
238 . 1 . 1 60 60 ILE H H 1 7.79403 . . 1 . . . . . 60 I HN . 51492 1
239 . 1 . 1 60 60 ILE C C 13 175.508 . . 1 . . . . . 60 I CO . 51492 1
240 . 1 . 1 60 60 ILE CA C 13 62.0726 . . 1 . . . . . 60 I CA . 51492 1
241 . 1 . 1 60 60 ILE CB C 13 38.6956 . . 1 . . . . . 60 I CB . 51492 1
242 . 1 . 1 60 60 ILE N N 15 118.724 . . 1 . . . . . 60 I N . 51492 1
243 . 1 . 1 61 61 LEU H H 1 8.01103 . . 1 . . . . . 61 L HN . 51492 1
244 . 1 . 1 61 61 LEU C C 13 176.25 . . 1 . . . . . 61 L CO . 51492 1
245 . 1 . 1 61 61 LEU CA C 13 55.1276 . . 1 . . . . . 61 L CA . 51492 1
246 . 1 . 1 61 61 LEU CB C 13 42.2256 . . 1 . . . . . 61 L CB . 51492 1
247 . 1 . 1 61 61 LEU N N 15 120.855 . . 1 . . . . . 61 L N . 51492 1
248 . 1 . 1 62 62 HIS H H 1 7.88703 . . 1 . . . . . 62 H HN . 51492 1
249 . 1 . 1 62 62 HIS C C 13 174.329 . . 1 . . . . . 62 H CO . 51492 1
250 . 1 . 1 62 62 HIS CA C 13 55.7026 . . 1 . . . . . 62 H CA . 51492 1
251 . 1 . 1 62 62 HIS CB C 13 31.0996 . . 1 . . . . . 62 H CB . 51492 1
252 . 1 . 1 62 62 HIS N N 15 118.281 . . 1 . . . . . 62 H N . 51492 1
253 . 1 . 1 63 63 ALA H H 1 8.12503 . . 1 . . . . . 63 A HN . 51492 1
254 . 1 . 1 63 63 ALA C C 13 175.35 . . 1 . . . . . 63 A CO . 51492 1
255 . 1 . 1 63 63 ALA CA C 13 50.5996 . . 1 . . . . . 63 A CA . 51492 1
256 . 1 . 1 63 63 ALA CB C 13 18.4216 . . 1 . . . . . 63 A CB . 51492 1
257 . 1 . 1 63 63 ALA N N 15 125.72 . . 1 . . . . . 63 A N . 51492 1
258 . 1 . 1 64 64 PRO C C 13 176.584 . . 1 . . . . . 64 P CO . 51492 1
259 . 1 . 1 64 64 PRO CA C 13 63.5616 . . 1 . . . . . 64 P CA . 51492 1
260 . 1 . 1 64 64 PRO CB C 13 31.9676 . . 1 . . . . . 64 P CB . 51492 1
261 . 1 . 1 65 65 ASP H H 1 8.26903 . . 1 . . . . . 65 D HN . 51492 1
262 . 1 . 1 65 65 ASP C C 13 176.018 . . 1 . . . . . 65 D CO . 51492 1
263 . 1 . 1 65 65 ASP CA C 13 54.2416 . . 1 . . . . . 65 D CA . 51492 1
264 . 1 . 1 65 65 ASP CB C 13 41.3556 . . 1 . . . . . 65 D CB . 51492 1
265 . 1 . 1 65 65 ASP N N 15 118.499 . . 1 . . . . . 65 D N . 51492 1
266 . 1 . 1 66 66 ALA H H 1 8.13003 . . 1 . . . . . 66 A HN . 51492 1
267 . 1 . 1 66 66 ALA C C 13 177.574 . . 1 . . . . . 66 A CO . 51492 1
268 . 1 . 1 66 66 ALA CA C 13 52.5986 . . 1 . . . . . 66 A CA . 51492 1
269 . 1 . 1 66 66 ALA CB C 13 19.2926 . . 1 . . . . . 66 A CB . 51492 1
270 . 1 . 1 66 66 ALA N N 15 123.572 . . 1 . . . . . 66 A N . 51492 1
271 . 1 . 1 67 67 GLY H H 1 8.28103 . . 1 . . . . . 67 G HN . 51492 1
272 . 1 . 1 67 67 GLY C C 13 175.253 . . 1 . . . . . 67 G CO . 51492 1
273 . 1 . 1 67 67 GLY CA C 13 45.6766 . . 1 . . . . . 67 G CA . 51492 1
274 . 1 . 1 67 67 GLY N N 15 106.256 . . 1 . . . . . 67 G N . 51492 1
275 . 1 . 1 68 68 TRP H H 1 8.41403 . . 1 . . . . . 68 W HN . 51492 1
276 . 1 . 1 68 68 TRP C C 13 177.408 . . 1 . . . . . 68 W CO . 51492 1
277 . 1 . 1 68 68 TRP CA C 13 59.1156 . . 1 . . . . . 68 W CA . 51492 1
278 . 1 . 1 68 68 TRP CB C 13 30.1516 . . 1 . . . . . 68 W CB . 51492 1
279 . 1 . 1 68 68 TRP N N 15 121.238 . . 1 . . . . . 68 W N . 51492 1
280 . 1 . 1 69 69 GLY H H 1 8.74003 . . 1 . . . . . 69 G HN . 51492 1
281 . 1 . 1 69 69 GLY C C 13 175.163 . . 1 . . . . . 69 G CO . 51492 1
282 . 1 . 1 69 69 GLY CA C 13 46.7296 . . 1 . . . . . 69 G CA . 51492 1
283 . 1 . 1 69 69 GLY N N 15 106.645 . . 1 . . . . . 69 G N . 51492 1
284 . 1 . 1 70 70 ASN H H 1 8.08403 . . 1 . . . . . 70 N HN . 51492 1
285 . 1 . 1 70 70 ASN C C 13 176.142 . . 1 . . . . . 70 N CO . 51492 1
286 . 1 . 1 70 70 ASN CA C 13 54.9216 . . 1 . . . . . 70 N CA . 51492 1
287 . 1 . 1 70 70 ASN CB C 13 38.7536 . . 1 . . . . . 70 N CB . 51492 1
288 . 1 . 1 70 70 ASN N N 15 117.706 . . 1 . . . . . 70 N N . 51492 1
289 . 1 . 1 71 71 LEU H H 1 8.03403 . . 1 . . . . . 71 L HN . 51492 1
290 . 1 . 1 71 71 LEU C C 13 177.442 . . 1 . . . . . 71 L CO . 51492 1
291 . 1 . 1 71 71 LEU CA C 13 57.0256 . . 1 . . . . . 71 L CA . 51492 1
292 . 1 . 1 71 71 LEU CB C 13 42.1966 . . 1 . . . . . 71 L CB . 51492 1
293 . 1 . 1 71 71 LEU N N 15 119.631 . . 1 . . . . . 71 L N . 51492 1
294 . 1 . 1 72 72 VAL H H 1 7.54703 . . 1 . . . . . 72 V HN . 51492 1
295 . 1 . 1 72 72 VAL C C 13 175.873 . . 1 . . . . . 72 V CO . 51492 1
296 . 1 . 1 72 72 VAL CA C 13 64.4036 . . 1 . . . . . 72 V CA . 51492 1
297 . 1 . 1 72 72 VAL CB C 13 31.8896 . . 1 . . . . . 72 V CB . 51492 1
298 . 1 . 1 72 72 VAL N N 15 114.555 . . 1 . . . . . 72 V N . 51492 1
299 . 1 . 1 73 73 TYR H H 1 7.46703 . . 1 . . . . . 73 Y HN . 51492 1
300 . 1 . 1 73 73 TYR C C 13 176.116 . . 1 . . . . . 73 Y CO . 51492 1
301 . 1 . 1 73 73 TYR CA C 13 59.5376 . . 1 . . . . . 73 Y CA . 51492 1
302 . 1 . 1 73 73 TYR CB C 13 38.6636 . . 1 . . . . . 73 Y CB . 51492 1
303 . 1 . 1 73 73 TYR N N 15 117.685 . . 1 . . . . . 73 Y N . 51492 1
304 . 1 . 1 74 74 VAL H H 1 7.58803 . . 1 . . . . . 74 V HN . 51492 1
305 . 1 . 1 74 74 VAL C C 13 175.143 . . 1 . . . . . 74 V CO . 51492 1
306 . 1 . 1 74 74 VAL CA C 13 63.3046 . . 1 . . . . . 74 V CA . 51492 1
307 . 1 . 1 74 74 VAL CB C 13 32.3456 . . 1 . . . . . 74 V CB . 51492 1
308 . 1 . 1 74 74 VAL N N 15 114.737 . . 1 . . . . . 74 V N . 51492 1
309 . 1 . 1 75 75 VAL H H 1 7.43803 . . 1 . . . . . 75 V HN . 51492 1
310 . 1 . 1 75 75 VAL C C 13 174.47 . . 1 . . . . . 75 V CO . 51492 1
311 . 1 . 1 75 75 VAL CA C 13 62.1816 . . 1 . . . . . 75 V CA . 51492 1
312 . 1 . 1 75 75 VAL CB C 13 32.3096 . . 1 . . . . . 75 V CB . 51492 1
313 . 1 . 1 75 75 VAL N N 15 114.392 . . 1 . . . . . 75 V N . 51492 1
314 . 1 . 1 76 76 ASN H H 1 7.75703 . . 1 . . . . . 76 N HN . 51492 1
315 . 1 . 1 76 76 ASN C C 13 173.395 . . 1 . . . . . 76 N CO . 51492 1
316 . 1 . 1 76 76 ASN CA C 13 52.8726 . . 1 . . . . . 76 N CA . 51492 1
317 . 1 . 1 76 76 ASN CB C 13 39.5596 . . 1 . . . . . 76 N CB . 51492 1
318 . 1 . 1 76 76 ASN N N 15 119.433 . . 1 . . . . . 76 N N . 51492 1
319 . 1 . 1 77 77 TYR H H 1 7.39103 . . 1 . . . . . 77 Y HN . 51492 1
320 . 1 . 1 77 77 TYR C C 13 179.37 . . 1 . . . . . 77 Y CO . 51492 1
321 . 1 . 1 77 77 TYR CA C 13 59.4686 . . 1 . . . . . 77 Y CA . 51492 1
322 . 1 . 1 77 77 TYR CB C 13 39.4836 . . 1 . . . . . 77 Y CB . 51492 1
323 . 1 . 1 77 77 TYR N N 15 124.854 . . 1 . . . . . 77 Y N . 51492 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_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51492
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name tdp43_formB
_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 '2D 1H-15N HSQC' . . . 51492 2
2 '3D HNCA' . . . 51492 2
3 '3D HN(CO)CA' . . . 51492 2
4 '3D HNCACB' . . . 51492 2
5 '3D HNCO' . . . 51492 2
6 '3D HN(CA)CO' . . . 51492 2
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 $software_1 . . 51492 2
2 $software_2 . . 51492 2
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 . 2 . 1 1 1 MET H H 1 8.09203 . . 1 . . . . . 1 M HN . 51492 2
2 . 2 . 1 1 1 MET C C 13 177.208 . . 1 . . . . . 1 M CO . 51492 2
3 . 2 . 1 1 1 MET CA C 13 57.8606 . . 1 . . . . . 1 M CA . 51492 2
4 . 2 . 1 1 1 MET CB C 13 30.6836 . . 1 . . . . . 1 M CB . 51492 2
5 . 2 . 1 1 1 MET N N 15 120.093 . . 1 . . . . . 1 M N . 51492 2
6 . 2 . 1 2 2 SER H H 1 8.07203 . . 1 . . . . . 2 S HN . 51492 2
7 . 2 . 1 2 2 SER C C 13 175.793 . . 1 . . . . . 2 S CO . 51492 2
8 . 2 . 1 2 2 SER CA C 13 61.4966 . . 1 . . . . . 2 S CA . 51492 2
9 . 2 . 1 2 2 SER CB C 13 62.7706 . . 1 . . . . . 2 S CB . 51492 2
10 . 2 . 1 2 2 SER N N 15 114.118 . . 1 . . . . . 2 S N . 51492 2
11 . 2 . 1 3 3 GLU H H 1 7.91603 . . 1 . . . . . 3 E HN . 51492 2
12 . 2 . 1 3 3 GLU C C 13 177.302 . . 1 . . . . . 3 E CO . 51492 2
13 . 2 . 1 3 3 GLU CA C 13 58.0386 . . 1 . . . . . 3 E CA . 51492 2
14 . 2 . 1 3 3 GLU CB C 13 31.4816 . . 1 . . . . . 3 E CB . 51492 2
15 . 2 . 1 3 3 GLU N N 15 119.693 . . 1 . . . . . 3 E N . 51492 2
16 . 2 . 1 4 4 TYR H H 1 7.79303 . . 1 . . . . . 4 Y HN . 51492 2
17 . 2 . 1 4 4 TYR C C 13 176.168 . . 1 . . . . . 4 Y CO . 51492 2
18 . 2 . 1 4 4 TYR CA C 13 59.8106 . . 1 . . . . . 4 Y CA . 51492 2
19 . 2 . 1 4 4 TYR CB C 13 39.1706 . . 1 . . . . . 4 Y CB . 51492 2
20 . 2 . 1 4 4 TYR N N 15 117.865 . . 1 . . . . . 4 Y N . 51492 2
21 . 2 . 1 5 5 ILE H H 1 7.63903 . . 1 . . . . . 5 I HN . 51492 2
22 . 2 . 1 5 5 ILE C C 13 175.1 . . 1 . . . . . 5 I CO . 51492 2
23 . 2 . 1 5 5 ILE CA C 13 61.6436 . . 1 . . . . . 5 I CA . 51492 2
24 . 2 . 1 5 5 ILE CB C 13 38.5296 . . 1 . . . . . 5 I CB . 51492 2
25 . 2 . 1 5 5 ILE N N 15 115.013 . . 1 . . . . . 5 I N . 51492 2
26 . 2 . 1 6 6 ARG H H 1 7.70003 . . 1 . . . . . 6 R HN . 51492 2
27 . 2 . 1 6 6 ARG C C 13 176.395 . . 1 . . . . . 6 R CO . 51492 2
28 . 2 . 1 6 6 ARG CA C 13 56.7226 . . 1 . . . . . 6 R CA . 51492 2
29 . 2 . 1 6 6 ARG CB C 13 30.7296 . . 1 . . . . . 6 R CB . 51492 2
30 . 2 . 1 6 6 ARG N N 15 121.643 . . 1 . . . . . 6 R N . 51492 2
31 . 2 . 1 7 7 VAL H H 1 8.14103 . . 1 . . . . . 7 V HN . 51492 2
32 . 2 . 1 7 7 VAL C C 13 176.094 . . 1 . . . . . 7 V CO . 51492 2
33 . 2 . 1 7 7 VAL CA C 13 62.6716 . . 1 . . . . . 7 V CA . 51492 2
34 . 2 . 1 7 7 VAL CB C 13 32.6096 . . 1 . . . . . 7 V CB . 51492 2
35 . 2 . 1 7 7 VAL N N 15 119.052 . . 1 . . . . . 7 V N . 51492 2
36 . 2 . 1 8 8 THR H H 1 7.93803 . . 1 . . . . . 8 T HN . 51492 2
37 . 2 . 1 8 8 THR C C 13 174.35 . . 1 . . . . . 8 T CO . 51492 2
38 . 2 . 1 8 8 THR CA C 13 61.8046 . . 1 . . . . . 8 T CA . 51492 2
39 . 2 . 1 8 8 THR CB C 13 69.8566 . . 1 . . . . . 8 T CB . 51492 2
40 . 2 . 1 8 8 THR N N 15 115.304 . . 1 . . . . . 8 T N . 51492 2
41 . 2 . 1 9 9 GLU H H 1 8.34703 . . 1 . . . . . 9 E HN . 51492 2
42 . 2 . 1 9 9 GLU C C 13 176.065 . . 1 . . . . . 9 E CO . 51492 2
43 . 2 . 1 9 9 GLU CA C 13 56.5986 . . 1 . . . . . 9 E CA . 51492 2
44 . 2 . 1 9 9 GLU CB C 13 30.4416 . . 1 . . . . . 9 E CB . 51492 2
45 . 2 . 1 9 9 GLU N N 15 122.456 . . 1 . . . . . 9 E N . 51492 2
46 . 2 . 1 10 10 ASP H H 1 8.31103 . . 1 . . . . . 10 D HN . 51492 2
47 . 2 . 1 10 10 ASP C C 13 176.226 . . 1 . . . . . 10 D CO . 51492 2
48 . 2 . 1 10 10 ASP CA C 13 54.4226 . . 1 . . . . . 10 D CA . 51492 2
49 . 2 . 1 10 10 ASP CB C 13 41.4676 . . 1 . . . . . 10 D CB . 51492 2
50 . 2 . 1 10 10 ASP N N 15 121.291 . . 1 . . . . . 10 D N . 51492 2
51 . 2 . 1 11 11 GLU H H 1 8.42703 . . 1 . . . . . 11 E HN . 51492 2
52 . 2 . 1 11 11 GLU C C 13 176.157 . . 1 . . . . . 11 E CO . 51492 2
53 . 2 . 1 11 11 GLU CA C 13 56.6776 . . 1 . . . . . 11 E CA . 51492 2
54 . 2 . 1 11 11 GLU CB C 13 30.1536 . . 1 . . . . . 11 E CB . 51492 2
55 . 2 . 1 11 11 GLU N N 15 121.405 . . 1 . . . . . 11 E N . 51492 2
56 . 2 . 1 12 12 ASN H H 1 8.44803 . . 1 . . . . . 12 N HN . 51492 2
57 . 2 . 1 12 12 ASN C C 13 174.689 . . 1 . . . . . 12 N CO . 51492 2
58 . 2 . 1 12 12 ASN CA C 13 53.3086 . . 1 . . . . . 12 N CA . 51492 2
59 . 2 . 1 12 12 ASN CB C 13 39.4066 . . 1 . . . . . 12 N CB . 51492 2
60 . 2 . 1 12 12 ASN N N 15 119.552 . . 1 . . . . . 12 N N . 51492 2
61 . 2 . 1 13 13 ASP H H 1 8.28803 . . 1 . . . . . 13 D HN . 51492 2
62 . 2 . 1 13 13 ASP C C 13 175.768 . . 1 . . . . . 13 D CO . 51492 2
63 . 2 . 1 13 13 ASP CA C 13 54.1646 . . 1 . . . . . 13 D CA . 51492 2
64 . 2 . 1 13 13 ASP CB C 13 41.3246 . . 1 . . . . . 13 D CB . 51492 2
65 . 2 . 1 13 13 ASP N N 15 121.316 . . 1 . . . . . 13 D N . 51492 2
66 . 2 . 1 14 14 GLU H H 1 8.20603 . . 1 . . . . . 14 E HN . 51492 2
67 . 2 . 1 14 14 GLU C C 13 174.306 . . 1 . . . . . 14 E CO . 51492 2
68 . 2 . 1 14 14 GLU CA C 13 54.2636 . . 1 . . . . . 14 E CA . 51492 2
69 . 2 . 1 14 14 GLU CB C 13 29.9296 . . 1 . . . . . 14 E CB . 51492 2
70 . 2 . 1 14 14 GLU N N 15 122.306 . . 1 . . . . . 14 E N . 51492 2
71 . 2 . 1 15 15 PRO C C 13 176.595 . . 1 . . . . . 15 P CO . 51492 2
72 . 2 . 1 15 15 PRO CA C 13 62.9196 . . 1 . . . . . 15 P CA . 51492 2
73 . 2 . 1 15 15 PRO CB C 13 32.0846 . . 1 . . . . . 15 P CB . 51492 2
74 . 2 . 1 16 16 ILE H H 1 8.20503 . . 1 . . . . . 16 I HN . 51492 2
75 . 2 . 1 16 16 ILE C C 13 175.579 . . 1 . . . . . 16 I CO . 51492 2
76 . 2 . 1 16 16 ILE CA C 13 60.9246 . . 1 . . . . . 16 I CA . 51492 2
77 . 2 . 1 16 16 ILE CB C 13 38.9976 . . 1 . . . . . 16 I CB . 51492 2
78 . 2 . 1 16 16 ILE N N 15 121.155 . . 1 . . . . . 16 I N . 51492 2
79 . 2 . 1 17 17 GLU H H 1 8.31003 . . 1 . . . . . 17 E HN . 51492 2
80 . 2 . 1 17 17 GLU C C 13 175.482 . . 1 . . . . . 17 E CO . 51492 2
81 . 2 . 1 17 17 GLU CA C 13 55.6886 . . 1 . . . . . 17 E CA . 51492 2
82 . 2 . 1 17 17 GLU CB C 13 30.8076 . . 1 . . . . . 17 E CB . 51492 2
83 . 2 . 1 17 17 GLU N N 15 125.536 . . 1 . . . . . 17 E N . 51492 2
84 . 2 . 1 18 18 ILE H H 1 8.37503 . . 1 . . . . . 18 I HN . 51492 2
85 . 2 . 1 18 18 ILE C C 13 174.371 . . 1 . . . . . 18 I CO . 51492 2
86 . 2 . 1 18 18 ILE CA C 13 58.2896 . . 1 . . . . . 18 I CA . 51492 2
87 . 2 . 1 18 18 ILE CB C 13 38.5626 . . 1 . . . . . 18 I CB . 51492 2
88 . 2 . 1 18 18 ILE N N 15 124.483 . . 1 . . . . . 18 I N . 51492 2
89 . 2 . 1 19 19 PRO C C 13 176.36 . . 1 . . . . . 19 P CO . 51492 2
90 . 2 . 1 19 19 PRO CA C 13 62.9926 . . 1 . . . . . 19 P CA . 51492 2
91 . 2 . 1 20 20 SER H H 1 8.01903 . . 1 . . . . . 20 S HN . 51492 2
92 . 2 . 1 20 20 SER CA C 13 59.0946 . . 1 . . . . . 20 S CA . 51492 2
93 . 2 . 1 20 20 SER CB C 13 63.6446 . . 1 . . . . . 20 S CB . 51492 2
94 . 2 . 1 20 20 SER N N 15 117.251 . . 1 . . . . . 20 S N . 51492 2
95 . 2 . 1 22 22 ASP H H 1 8.32803 . . 1 . . . . . 22 D HN . 51492 2
96 . 2 . 1 22 22 ASP C C 13 175.989 . . 1 . . . . . 22 D CO . 51492 2
97 . 2 . 1 22 22 ASP CA C 13 53.9526 . . 1 . . . . . 22 D CA . 51492 2
98 . 2 . 1 22 22 ASP CB C 13 41.3626 . . 1 . . . . . 22 D CB . 51492 2
99 . 2 . 1 22 22 ASP N N 15 123.806 . . 1 . . . . . 22 D N . 51492 2
100 . 2 . 1 23 23 ASP H H 1 8.35003 . . 1 . . . . . 23 D HN . 51492 2
101 . 2 . 1 23 23 ASP C C 13 177.543 . . 1 . . . . . 23 D CO . 51492 2
102 . 2 . 1 23 23 ASP CA C 13 55.2066 . . 1 . . . . . 23 D CA . 51492 2
103 . 2 . 1 23 23 ASP CB C 13 41.8926 . . 1 . . . . . 23 D CB . 51492 2
104 . 2 . 1 23 23 ASP N N 15 123.259 . . 1 . . . . . 23 D N . 51492 2
105 . 2 . 1 24 24 GLY H H 1 8.48603 . . 1 . . . . . 24 G HN . 51492 2
106 . 2 . 1 24 24 GLY C C 13 174.811 . . 1 . . . . . 24 G CO . 51492 2
107 . 2 . 1 24 24 GLY CA C 13 46.0186 . . 1 . . . . . 24 G CA . 51492 2
108 . 2 . 1 24 24 GLY N N 15 107.992 . . 1 . . . . . 24 G N . 51492 2
109 . 2 . 1 25 25 THR H H 1 8.03103 . . 1 . . . . . 25 T HN . 51492 2
110 . 2 . 1 25 25 THR C C 13 175.28 . . 1 . . . . . 25 T CO . 51492 2
111 . 2 . 1 25 25 THR CA C 13 63.3566 . . 1 . . . . . 25 T CA . 51492 2
112 . 2 . 1 25 25 THR CB C 13 68.9866 . . 1 . . . . . 25 T CB . 51492 2
113 . 2 . 1 25 25 THR N N 15 113.651 . . 1 . . . . . 25 T N . 51492 2
114 . 2 . 1 26 26 VAL H H 1 8.80603 . . 1 . . . . . 26 V HN . 51492 2
115 . 2 . 1 26 26 VAL C C 13 176.788 . . 1 . . . . . 26 V CO . 51492 2
116 . 2 . 1 26 26 VAL CA C 13 58.3736 . . 1 . . . . . 26 V CA . 51492 2
117 . 2 . 1 26 26 VAL CB C 13 29.4036 . . 1 . . . . . 26 V CB . 51492 2
118 . 2 . 1 26 26 VAL N N 15 122.074 . . 1 . . . . . 26 V N . 51492 2
119 . 2 . 1 27 27 LEU H H 1 8.28603 . . 1 . . . . . 27 L HN . 51492 2
120 . 2 . 1 27 27 LEU C C 13 176.134 . . 1 . . . . . 27 L CO . 51492 2
121 . 2 . 1 27 27 LEU CA C 13 54.6446 . . 1 . . . . . 27 L CA . 51492 2
122 . 2 . 1 27 27 LEU CB C 13 38.9506 . . 1 . . . . . 27 L CB . 51492 2
123 . 2 . 1 27 27 LEU N N 15 117.844 . . 1 . . . . . 27 L N . 51492 2
124 . 2 . 1 28 28 LEU H H 1 8.08703 . . 1 . . . . . 28 L HN . 51492 2
125 . 2 . 1 28 28 LEU C C 13 176.127 . . 1 . . . . . 28 L CO . 51492 2
126 . 2 . 1 28 28 LEU CA C 13 56.9866 . . 1 . . . . . 28 L CA . 51492 2
127 . 2 . 1 28 28 LEU CB C 13 38.9466 . . 1 . . . . . 28 L CB . 51492 2
128 . 2 . 1 28 28 LEU N N 15 121.34 . . 1 . . . . . 28 L N . 51492 2
129 . 2 . 1 29 29 SER H H 1 8.14203 . . 1 . . . . . 29 S HN . 51492 2
130 . 2 . 1 29 29 SER CA C 13 60.9966 . . 1 . . . . . 29 S CA . 51492 2
131 . 2 . 1 29 29 SER CB C 13 63.1166 . . 1 . . . . . 29 S CB . 51492 2
132 . 2 . 1 29 29 SER N N 15 114.756 . . 1 . . . . . 29 S N . 51492 2
133 . 2 . 1 30 30 THR H H 1 8.06903 . . 1 . . . . . 30 T HN . 51492 2
134 . 2 . 1 30 30 THR C C 13 176.063 . . 1 . . . . . 30 T CO . 51492 2
135 . 2 . 1 30 30 THR CA C 13 66.2086 . . 1 . . . . . 30 T CA . 51492 2
136 . 2 . 1 30 30 THR CB C 13 68.5436 . . 1 . . . . . 30 T CB . 51492 2
137 . 2 . 1 30 30 THR N N 15 117.664 . . 1 . . . . . 30 T N . 51492 2
138 . 2 . 1 31 31 VAL H H 1 8.12003 . . 1 . . . . . 31 V HN . 51492 2
139 . 2 . 1 31 31 VAL C C 13 177.373 . . 1 . . . . . 31 V CO . 51492 2
140 . 2 . 1 31 31 VAL CA C 13 66.3576 . . 1 . . . . . 31 V CA . 51492 2
141 . 2 . 1 31 31 VAL CB C 13 31.7226 . . 1 . . . . . 31 V CB . 51492 2
142 . 2 . 1 31 31 VAL N N 15 119.968 . . 1 . . . . . 31 V N . 51492 2
143 . 2 . 1 32 32 THR H H 1 8.14903 . . 1 . . . . . 32 T HN . 51492 2
144 . 2 . 1 32 32 THR C C 13 175.91 . . 1 . . . . . 32 T CO . 51492 2
145 . 2 . 1 32 32 THR CA C 13 65.3476 . . 1 . . . . . 32 T CA . 51492 2
146 . 2 . 1 32 32 THR CB C 13 68.9276 . . 1 . . . . . 32 T CB . 51492 2
147 . 2 . 1 32 32 THR N N 15 111.52 . . 1 . . . . . 32 T N . 51492 2
148 . 2 . 1 33 33 ALA H H 1 7.53703 . . 1 . . . . . 33 A HN . 51492 2
149 . 2 . 1 33 33 ALA C C 13 178.616 . . 1 . . . . . 33 A CO . 51492 2
150 . 2 . 1 33 33 ALA CA C 13 53.8566 . . 1 . . . . . 33 A CA . 51492 2
151 . 2 . 1 33 33 ALA CB C 13 18.9376 . . 1 . . . . . 33 A CB . 51492 2
152 . 2 . 1 33 33 ALA N N 15 121.679 . . 1 . . . . . 33 A N . 51492 2
153 . 2 . 1 34 34 GLN H H 1 7.68003 . . 1 . . . . . 34 Q HN . 51492 2
154 . 2 . 1 34 34 GLN C C 13 175.204 . . 1 . . . . . 34 Q CO . 51492 2
155 . 2 . 1 34 34 GLN CA C 13 55.6386 . . 1 . . . . . 34 Q CA . 51492 2
156 . 2 . 1 34 34 GLN CB C 13 28.8736 . . 1 . . . . . 34 Q CB . 51492 2
157 . 2 . 1 34 34 GLN N N 15 114.284 . . 1 . . . . . 34 Q N . 51492 2
158 . 2 . 1 35 35 PHE H H 1 7.78503 . . 1 . . . . . 35 F HN . 51492 2
159 . 2 . 1 35 35 PHE C C 13 175.234 . . 1 . . . . . 35 F CO . 51492 2
160 . 2 . 1 35 35 PHE CA C 13 55.7526 . . 1 . . . . . 35 F CA . 51492 2
161 . 2 . 1 35 35 PHE CB C 13 39.3566 . . 1 . . . . . 35 F CB . 51492 2
162 . 2 . 1 35 35 PHE N N 15 117.791 . . 1 . . . . . 35 F N . 51492 2
163 . 2 . 1 36 36 PRO C C 13 177.53 . . 1 . . . . . 36 P CO . 51492 2
164 . 2 . 1 36 36 PRO CA C 13 64.6906 . . 1 . . . . . 36 P CA . 51492 2
165 . 2 . 1 37 37 GLY H H 1 8.48003 . . 1 . . . . . 37 G HN . 51492 2
166 . 2 . 1 37 37 GLY C C 13 175.126 . . 1 . . . . . 37 G CO . 51492 2
167 . 2 . 1 37 37 GLY CA C 13 45.8326 . . 1 . . . . . 37 G CA . 51492 2
168 . 2 . 1 37 37 GLY N N 15 107.704 . . 1 . . . . . 37 G N . 51492 2
169 . 2 . 1 38 38 ALA H H 1 8.10303 . . 1 . . . . . 38 A HN . 51492 2
170 . 2 . 1 38 38 ALA C C 13 177.612 . . 1 . . . . . 38 A CO . 51492 2
171 . 2 . 1 38 38 ALA CA C 13 53.3006 . . 1 . . . . . 38 A CA . 51492 2
172 . 2 . 1 38 38 ALA CB C 13 19.3106 . . 1 . . . . . 38 A CB . 51492 2
173 . 2 . 1 38 38 ALA N N 15 123.411 . . 1 . . . . . 38 A N . 51492 2
174 . 2 . 1 39 39 CYS H H 1 8.04703 . . 1 . . . . . 39 C HN . 51492 2
175 . 2 . 1 39 39 CYS C C 13 174.353 . . 1 . . . . . 39 C CO . 51492 2
176 . 2 . 1 39 39 CYS CA C 13 59.3646 . . 1 . . . . . 39 C CA . 51492 2
177 . 2 . 1 39 39 CYS CB C 13 28.0376 . . 1 . . . . . 39 C CB . 51492 2
178 . 2 . 1 39 39 CYS N N 15 113.844 . . 1 . . . . . 39 C N . 51492 2
179 . 2 . 1 40 40 GLY H H 1 8.03603 . . 1 . . . . . 40 G HN . 51492 2
180 . 2 . 1 40 40 GLY C C 13 173.957 . . 1 . . . . . 40 G CO . 51492 2
181 . 2 . 1 40 40 GLY CA C 13 45.5996 . . 1 . . . . . 40 G CA . 51492 2
182 . 2 . 1 40 40 GLY N N 15 107.796 . . 1 . . . . . 40 G N . 51492 2
183 . 2 . 1 41 41 LEU H H 1 8.00103 . . 1 . . . . . 41 L HN . 51492 2
184 . 2 . 1 41 41 LEU C C 13 175.714 . . 1 . . . . . 41 L CO . 51492 2
185 . 2 . 1 41 41 LEU CA C 13 55.1216 . . 1 . . . . . 41 L CA . 51492 2
186 . 2 . 1 41 41 LEU CB C 13 42.2646 . . 1 . . . . . 41 L CB . 51492 2
187 . 2 . 1 41 41 LEU N N 15 120.579 . . 1 . . . . . 41 L N . 51492 2
188 . 2 . 1 42 42 ARG H H 1 7.66803 . . 1 . . . . . 42 R HN . 51492 2
189 . 2 . 1 42 42 ARG C C 13 180.398 . . 1 . . . . . 42 R CO . 51492 2
190 . 2 . 1 42 42 ARG CA C 13 57.2096 . . 1 . . . . . 42 R CA . 51492 2
191 . 2 . 1 42 42 ARG CB C 13 31.8246 . . 1 . . . . . 42 R CB . 51492 2
192 . 2 . 1 42 42 ARG N N 15 124.813 . . 1 . . . . . 42 R N . 51492 2
193 . 2 . 1 43 43 TYR H H 1 8.53103 . . 1 . . . . . 43 Y HN . 51492 2
194 . 2 . 1 43 43 TYR CA C 13 60.5666 . . 1 . . . . . 43 Y CA . 51492 2
195 . 2 . 1 43 43 TYR N N 15 118.475 . . 1 . . . . . 43 Y N . 51492 2
196 . 2 . 1 46 46 PRO C C 13 177.053 . . 1 . . . . . 46 P CO . 51492 2
197 . 2 . 1 46 46 PRO CA C 13 63.7216 . . 1 . . . . . 46 P CA . 51492 2
198 . 2 . 1 47 47 VAL H H 1 8.09203 . . 1 . . . . . 47 V HN . 51492 2
199 . 2 . 1 47 47 VAL C C 13 176.447 . . 1 . . . . . 47 V CO . 51492 2
200 . 2 . 1 47 47 VAL CA C 13 63.0296 . . 1 . . . . . 47 V CA . 51492 2
201 . 2 . 1 47 47 VAL CB C 13 32.1956 . . 1 . . . . . 47 V CB . 51492 2
202 . 2 . 1 47 47 VAL N N 15 118.149 . . 1 . . . . . 47 V N . 51492 2
203 . 2 . 1 48 48 SER H H 1 8.48203 . . 1 . . . . . 48 S HN . 51492 2
204 . 2 . 1 48 48 SER C C 13 174.745 . . 1 . . . . . 48 S CO . 51492 2
205 . 2 . 1 48 48 SER CA C 13 58.4626 . . 1 . . . . . 48 S CA . 51492 2
206 . 2 . 1 48 48 SER CB C 13 64.2036 . . 1 . . . . . 48 S CB . 51492 2
207 . 2 . 1 48 48 SER N N 15 116.399 . . 1 . . . . . 48 S N . 51492 2
208 . 2 . 1 49 49 GLN H H 1 8.54703 . . 1 . . . . . 49 Q HN . 51492 2
209 . 2 . 1 49 49 GLN C C 13 176.175 . . 1 . . . . . 49 Q CO . 51492 2
210 . 2 . 1 49 49 GLN CA C 13 56.7446 . . 1 . . . . . 49 Q CA . 51492 2
211 . 2 . 1 49 49 GLN CB C 13 30.3236 . . 1 . . . . . 49 Q CB . 51492 2
212 . 2 . 1 49 49 GLN N N 15 121.859 . . 1 . . . . . 49 Q N . 51492 2
213 . 2 . 1 52 52 ARG H H 1 8.45003 . . 1 . . . . . 52 R HN . 51492 2
214 . 2 . 1 52 52 ARG C C 13 174.796 . . 1 . . . . . 52 R CO . 51492 2
215 . 2 . 1 52 52 ARG CA C 13 58.7906 . . 1 . . . . . 52 R CA . 51492 2
216 . 2 . 1 52 52 ARG N N 15 117.716 . . 1 . . . . . 52 R N . 51492 2
217 . 2 . 1 53 53 GLY H H 1 8.35603 . . 1 . . . . . 53 G HN . 51492 2
218 . 2 . 1 53 53 GLY C C 13 173.802 . . 1 . . . . . 53 G CO . 51492 2
219 . 2 . 1 53 53 GLY CA C 13 45.4206 . . 1 . . . . . 53 G CA . 51492 2
220 . 2 . 1 53 53 GLY N N 15 110.064 . . 1 . . . . . 53 G N . 51492 2
221 . 2 . 1 54 54 VAL H H 1 7.86903 . . 1 . . . . . 54 V HN . 51492 2
222 . 2 . 1 54 54 VAL C C 13 175.015 . . 1 . . . . . 54 V CO . 51492 2
223 . 2 . 1 54 54 VAL CA C 13 61.8796 . . 1 . . . . . 54 V CA . 51492 2
224 . 2 . 1 54 54 VAL CB C 13 32.8976 . . 1 . . . . . 54 V CB . 51492 2
225 . 2 . 1 54 54 VAL N N 15 118.424 . . 1 . . . . . 54 V N . 51492 2
226 . 2 . 1 57 57 VAL H H 1 8.07203 . . 1 . . . . . 57 V HN . 51492 2
227 . 2 . 1 57 57 VAL C C 13 175.657 . . 1 . . . . . 57 V CO . 51492 2
228 . 2 . 1 57 57 VAL CA C 13 62.2206 . . 1 . . . . . 57 V CA . 51492 2
229 . 2 . 1 57 57 VAL CB C 13 32.6036 . . 1 . . . . . 57 V CB . 51492 2
230 . 2 . 1 57 57 VAL N N 15 118.077 . . 1 . . . . . 57 V N . 51492 2
231 . 2 . 1 58 58 GLU H H 1 8.85303 . . 1 . . . . . 58 E HN . 51492 2
232 . 2 . 1 58 58 GLU C C 13 177.002 . . 1 . . . . . 58 E CO . 51492 2
233 . 2 . 1 58 58 GLU CA C 13 57.8416 . . 1 . . . . . 58 E CA . 51492 2
234 . 2 . 1 58 58 GLU CB C 13 29.8246 . . 1 . . . . . 58 E CB . 51492 2
235 . 2 . 1 58 58 GLU N N 15 123.855 . . 1 . . . . . 58 E N . 51492 2
236 . 2 . 1 59 59 GLY H H 1 8.24203 . . 1 . . . . . 59 G HN . 51492 2
237 . 2 . 1 59 59 GLY C C 13 174.494 . . 1 . . . . . 59 G CO . 51492 2
238 . 2 . 1 59 59 GLY CA C 13 45.9696 . . 1 . . . . . 59 G CA . 51492 2
239 . 2 . 1 59 59 GLY N N 15 107.298 . . 1 . . . . . 59 G N . 51492 2
240 . 2 . 1 60 60 ILE H H 1 7.75603 . . 1 . . . . . 60 I HN . 51492 2
241 . 2 . 1 60 60 ILE C C 13 175.822 . . 1 . . . . . 60 I CO . 51492 2
242 . 2 . 1 60 60 ILE CA C 13 62.2216 . . 1 . . . . . 60 I CA . 51492 2
243 . 2 . 1 60 60 ILE CB C 13 39.5596 . . 1 . . . . . 60 I CB . 51492 2
244 . 2 . 1 60 60 ILE N N 15 119.097 . . 1 . . . . . 60 I N . 51492 2
245 . 2 . 1 61 61 LEU H H 1 8.01103 . . 1 . . . . . 61 L HN . 51492 2
246 . 2 . 1 61 61 LEU C C 13 176.25 . . 1 . . . . . 61 L CO . 51492 2
247 . 2 . 1 61 61 LEU CA C 13 55.1276 . . 1 . . . . . 61 L CA . 51492 2
248 . 2 . 1 61 61 LEU CB C 13 42.2256 . . 1 . . . . . 61 L CB . 51492 2
249 . 2 . 1 61 61 LEU N N 15 120.855 . . 1 . . . . . 61 L N . 51492 2
250 . 2 . 1 62 62 HIS H H 1 7.88703 . . 1 . . . . . 62 H HN . 51492 2
251 . 2 . 1 62 62 HIS C C 13 174.329 . . 1 . . . . . 62 H CO . 51492 2
252 . 2 . 1 62 62 HIS CA C 13 55.7026 . . 1 . . . . . 62 H CA . 51492 2
253 . 2 . 1 62 62 HIS CB C 13 31.0996 . . 1 . . . . . 62 H CB . 51492 2
254 . 2 . 1 62 62 HIS N N 15 118.281 . . 1 . . . . . 62 H N . 51492 2
255 . 2 . 1 63 63 ALA H H 1 8.02203 . . 1 . . . . . 63 A HN . 51492 2
256 . 2 . 1 63 63 ALA C C 13 175.312 . . 1 . . . . . 63 A CO . 51492 2
257 . 2 . 1 63 63 ALA CA C 13 50.7396 . . 1 . . . . . 63 A CA . 51492 2
258 . 2 . 1 63 63 ALA CB C 13 18.4156 . . 1 . . . . . 63 A CB . 51492 2
259 . 2 . 1 63 63 ALA N N 15 125.478 . . 1 . . . . . 63 A N . 51492 2
260 . 2 . 1 64 64 PRO C C 13 176.584 . . 1 . . . . . 64 P CO . 51492 2
261 . 2 . 1 64 64 PRO CA C 13 63.5616 . . 1 . . . . . 64 P CA . 51492 2
262 . 2 . 1 64 64 PRO CB C 13 31.9676 . . 1 . . . . . 64 P CB . 51492 2
263 . 2 . 1 65 65 ASP H H 1 8.26903 . . 1 . . . . . 65 D HN . 51492 2
264 . 2 . 1 65 65 ASP C C 13 176.018 . . 1 . . . . . 65 D CO . 51492 2
265 . 2 . 1 65 65 ASP CA C 13 54.2416 . . 1 . . . . . 65 D CA . 51492 2
266 . 2 . 1 65 65 ASP CB C 13 41.3556 . . 1 . . . . . 65 D CB . 51492 2
267 . 2 . 1 65 65 ASP N N 15 118.499 . . 1 . . . . . 65 D N . 51492 2
268 . 2 . 1 66 66 ALA H H 1 8.13003 . . 1 . . . . . 66 A HN . 51492 2
269 . 2 . 1 66 66 ALA C C 13 177.574 . . 1 . . . . . 66 A CO . 51492 2
270 . 2 . 1 66 66 ALA CA C 13 52.5986 . . 1 . . . . . 66 A CA . 51492 2
271 . 2 . 1 66 66 ALA CB C 13 19.2926 . . 1 . . . . . 66 A CB . 51492 2
272 . 2 . 1 66 66 ALA N N 15 123.572 . . 1 . . . . . 66 A N . 51492 2
273 . 2 . 1 67 67 GLY H H 1 8.28103 . . 1 . . . . . 67 G HN . 51492 2
274 . 2 . 1 67 67 GLY C C 13 175.253 . . 1 . . . . . 67 G CO . 51492 2
275 . 2 . 1 67 67 GLY CA C 13 45.6766 . . 1 . . . . . 67 G CA . 51492 2
276 . 2 . 1 67 67 GLY N N 15 106.256 . . 1 . . . . . 67 G N . 51492 2
277 . 2 . 1 68 68 TRP H H 1 8.41403 . . 1 . . . . . 68 W HN . 51492 2
278 . 2 . 1 68 68 TRP C C 13 177.408 . . 1 . . . . . 68 W CO . 51492 2
279 . 2 . 1 68 68 TRP CA C 13 59.1156 . . 1 . . . . . 68 W CA . 51492 2
280 . 2 . 1 68 68 TRP CB C 13 30.1516 . . 1 . . . . . 68 W CB . 51492 2
281 . 2 . 1 68 68 TRP N N 15 121.238 . . 1 . . . . . 68 W N . 51492 2
282 . 2 . 1 69 69 GLY H H 1 8.74003 . . 1 . . . . . 69 G HN . 51492 2
283 . 2 . 1 69 69 GLY C C 13 175.163 . . 1 . . . . . 69 G CO . 51492 2
284 . 2 . 1 69 69 GLY CA C 13 46.7296 . . 1 . . . . . 69 G CA . 51492 2
285 . 2 . 1 69 69 GLY N N 15 106.645 . . 1 . . . . . 69 G N . 51492 2
286 . 2 . 1 70 70 ASN H H 1 8.08403 . . 1 . . . . . 70 N HN . 51492 2
287 . 2 . 1 70 70 ASN C C 13 176.142 . . 1 . . . . . 70 N CO . 51492 2
288 . 2 . 1 70 70 ASN CA C 13 54.9216 . . 1 . . . . . 70 N CA . 51492 2
289 . 2 . 1 70 70 ASN CB C 13 38.7536 . . 1 . . . . . 70 N CB . 51492 2
290 . 2 . 1 70 70 ASN N N 15 117.706 . . 1 . . . . . 70 N N . 51492 2
291 . 2 . 1 71 71 LEU H H 1 8.03403 . . 1 . . . . . 71 L HN . 51492 2
292 . 2 . 1 71 71 LEU C C 13 177.442 . . 1 . . . . . 71 L CO . 51492 2
293 . 2 . 1 71 71 LEU CA C 13 57.0256 . . 1 . . . . . 71 L CA . 51492 2
294 . 2 . 1 71 71 LEU CB C 13 42.1966 . . 1 . . . . . 71 L CB . 51492 2
295 . 2 . 1 71 71 LEU N N 15 119.631 . . 1 . . . . . 71 L N . 51492 2
296 . 2 . 1 72 72 VAL H H 1 7.54703 . . 1 . . . . . 72 V HN . 51492 2
297 . 2 . 1 72 72 VAL C C 13 175.873 . . 1 . . . . . 72 V CO . 51492 2
298 . 2 . 1 72 72 VAL CA C 13 64.4036 . . 1 . . . . . 72 V CA . 51492 2
299 . 2 . 1 72 72 VAL CB C 13 31.8896 . . 1 . . . . . 72 V CB . 51492 2
300 . 2 . 1 72 72 VAL N N 15 114.555 . . 1 . . . . . 72 V N . 51492 2
301 . 2 . 1 73 73 TYR H H 1 7.46703 . . 1 . . . . . 73 Y HN . 51492 2
302 . 2 . 1 73 73 TYR C C 13 176.116 . . 1 . . . . . 73 Y CO . 51492 2
303 . 2 . 1 73 73 TYR CA C 13 59.5376 . . 1 . . . . . 73 Y CA . 51492 2
304 . 2 . 1 73 73 TYR CB C 13 38.6636 . . 1 . . . . . 73 Y CB . 51492 2
305 . 2 . 1 73 73 TYR N N 15 117.685 . . 1 . . . . . 73 Y N . 51492 2
306 . 2 . 1 74 74 VAL H H 1 7.58803 . . 1 . . . . . 74 V HN . 51492 2
307 . 2 . 1 74 74 VAL C C 13 175.143 . . 1 . . . . . 74 V CO . 51492 2
308 . 2 . 1 74 74 VAL CA C 13 63.3046 . . 1 . . . . . 74 V CA . 51492 2
309 . 2 . 1 74 74 VAL CB C 13 32.3456 . . 1 . . . . . 74 V CB . 51492 2
310 . 2 . 1 74 74 VAL N N 15 114.737 . . 1 . . . . . 74 V N . 51492 2
311 . 2 . 1 75 75 VAL H H 1 7.43803 . . 1 . . . . . 75 V HN . 51492 2
312 . 2 . 1 75 75 VAL C C 13 174.47 . . 1 . . . . . 75 V CO . 51492 2
313 . 2 . 1 75 75 VAL CA C 13 62.1816 . . 1 . . . . . 75 V CA . 51492 2
314 . 2 . 1 75 75 VAL CB C 13 32.3096 . . 1 . . . . . 75 V CB . 51492 2
315 . 2 . 1 75 75 VAL N N 15 114.392 . . 1 . . . . . 75 V N . 51492 2
316 . 2 . 1 76 76 ASN H H 1 7.75703 . . 1 . . . . . 76 N HN . 51492 2
317 . 2 . 1 76 76 ASN C C 13 173.395 . . 1 . . . . . 76 N CO . 51492 2
318 . 2 . 1 76 76 ASN CA C 13 52.8726 . . 1 . . . . . 76 N CA . 51492 2
319 . 2 . 1 76 76 ASN CB C 13 39.5596 . . 1 . . . . . 76 N CB . 51492 2
320 . 2 . 1 76 76 ASN N N 15 119.433 . . 1 . . . . . 76 N N . 51492 2
321 . 2 . 1 77 77 TYR H H 1 7.39103 . . 1 . . . . . 77 Y HN . 51492 2
322 . 2 . 1 77 77 TYR C C 13 179.37 . . 1 . . . . . 77 Y CO . 51492 2
323 . 2 . 1 77 77 TYR CA C 13 59.4686 . . 1 . . . . . 77 Y CA . 51492 2
324 . 2 . 1 77 77 TYR CB C 13 39.4836 . . 1 . . . . . 77 Y CB . 51492 2
325 . 2 . 1 77 77 TYR N N 15 124.854 . . 1 . . . . . 77 Y N . 51492 2
stop_
save_