###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17380
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 17380 1
3 '3D CBCA(CO)NH' . . . 17380 1
4 '3D HNCACB' . . . 17380 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 4 4 GLY CA C 13 45.326 0.010 . 1 . . . . 350 G CA . 17380 1
2 . 1 1 5 5 GLY H H 1 8.252 0.005 . 1 . . . . 351 G HN . 17380 1
3 . 1 1 5 5 GLY CA C 13 44.963 0.038 . 1 . . . . 351 G CA . 17380 1
4 . 1 1 5 5 GLY N N 15 108.983 0.031 . 1 . . . . 351 G N . 17380 1
5 . 1 1 6 6 ASP H H 1 8.411 0.006 . 1 . . . . 352 D HN . 17380 1
6 . 1 1 6 6 ASP CA C 13 52.248 0.000 . 1 . . . . 352 D CA . 17380 1
7 . 1 1 6 6 ASP CB C 13 41.260 0.000 . 1 . . . . 352 D CB . 17380 1
8 . 1 1 6 6 ASP N N 15 121.834 0.026 . 1 . . . . 352 D N . 17380 1
9 . 1 1 7 7 PRO CA C 13 63.788 0.007 . 1 . . . . 353 P CA . 17380 1
10 . 1 1 7 7 PRO CB C 13 32.175 0.003 . 1 . . . . 353 P CB . 17380 1
11 . 1 1 8 8 LYS H H 1 8.510 0.003 . 1 . . . . 354 K HN . 17380 1
12 . 1 1 8 8 LYS CA C 13 56.512 0.025 . 1 . . . . 354 K CA . 17380 1
13 . 1 1 8 8 LYS CB C 13 32.505 0.010 . 1 . . . . 354 K CB . 17380 1
14 . 1 1 8 8 LYS N N 15 120.446 0.016 . 1 . . . . 354 K N . 17380 1
15 . 1 1 9 9 SER H H 1 8.139 0.004 . 1 . . . . 355 S HN . 17380 1
16 . 1 1 9 9 SER CA C 13 59.019 0.117 . 1 . . . . 355 S CA . 17380 1
17 . 1 1 9 9 SER CB C 13 64.049 0.013 . 1 . . . . 355 S CB . 17380 1
18 . 1 1 9 9 SER N N 15 115.622 0.057 . 1 . . . . 355 S N . 17380 1
19 . 1 1 10 10 GLY H H 1 8.420 0.005 . 1 . . . . 356 G HN . 17380 1
20 . 1 1 10 10 GLY CA C 13 45.227 0.012 . 1 . . . . 356 G CA . 17380 1
21 . 1 1 10 10 GLY N N 15 111.260 0.004 . 1 . . . . 356 G N . 17380 1
22 . 1 1 11 11 ASP H H 1 8.114 0.004 . 1 . . . . 357 D HN . 17380 1
23 . 1 1 11 11 ASP CA C 13 55.715 0.054 . 1 . . . . 357 D CA . 17380 1
24 . 1 1 11 11 ASP CB C 13 40.825 0.015 . 1 . . . . 357 D CB . 17380 1
25 . 1 1 11 11 ASP N N 15 123.514 0.008 . 1 . . . . 357 D N . 17380 1
26 . 1 1 12 12 TRP H H 1 8.734 0.002 . 1 . . . . 358 W HN . 17380 1
27 . 1 1 12 12 TRP CA C 13 54.041 0.016 . 1 . . . . 358 W CA . 17380 1
28 . 1 1 12 12 TRP CB C 13 31.080 0.008 . 1 . . . . 358 W CB . 17380 1
29 . 1 1 12 12 TRP N N 15 119.263 0.011 . 1 . . . . 358 W N . 17380 1
30 . 1 1 13 13 VAL H H 1 8.689 0.004 . 1 . . . . 359 V HN . 17380 1
31 . 1 1 13 13 VAL CA C 13 61.457 0.021 . 1 . . . . 359 V CA . 17380 1
32 . 1 1 13 13 VAL CB C 13 32.782 0.034 . 1 . . . . 359 V CB . 17380 1
33 . 1 1 13 13 VAL N N 15 123.937 0.011 . 1 . . . . 359 V N . 17380 1
34 . 1 1 14 14 CYS H H 1 8.675 0.003 . 1 . . . . 360 C HN . 17380 1
35 . 1 1 14 14 CYS CA C 13 57.853 0.000 . 1 . . . . 360 C CA . 17380 1
36 . 1 1 14 14 CYS CB C 13 32.328 0.000 . 1 . . . . 360 C CB . 17380 1
37 . 1 1 14 14 CYS N N 15 132.779 0.020 . 1 . . . . 360 C N . 17380 1
38 . 1 1 15 15 PRO CA C 13 63.502 0.016 . 1 . . . . 361 P CA . 17380 1
39 . 1 1 15 15 PRO CB C 13 32.117 0.025 . 1 . . . . 361 P CB . 17380 1
40 . 1 1 16 16 ASN H H 1 8.949 0.001 . 1 . . . . 362 N HN . 17380 1
41 . 1 1 16 16 ASN CA C 13 51.358 0.000 . 1 . . . . 362 N CA . 17380 1
42 . 1 1 16 16 ASN CB C 13 38.741 0.000 . 1 . . . . 362 N CB . 17380 1
43 . 1 1 16 16 ASN N N 15 125.715 0.026 . 1 . . . . 362 N N . 17380 1
44 . 1 1 17 17 PRO CA C 13 64.581 0.044 . 1 . . . . 363 P CA . 17380 1
45 . 1 1 17 17 PRO CB C 13 32.097 0.001 . 1 . . . . 363 P CB . 17380 1
46 . 1 1 18 18 SER H H 1 7.718 0.001 . 1 . . . . 364 S HN . 17380 1
47 . 1 1 18 18 SER CA C 13 58.903 0.038 . 1 . . . . 364 S CA . 17380 1
48 . 1 1 18 18 SER CB C 13 63.336 0.011 . 1 . . . . 364 S CB . 17380 1
49 . 1 1 18 18 SER N N 15 112.431 0.014 . 1 . . . . 364 S N . 17380 1
50 . 1 1 19 19 CYS H H 1 8.123 0.002 . 1 . . . . 365 C HN . 17380 1
51 . 1 1 19 19 CYS CA C 13 59.766 0.003 . 1 . . . . 365 C CA . 17380 1
52 . 1 1 19 19 CYS CB C 13 31.846 0.007 . 1 . . . . 365 C CB . 17380 1
53 . 1 1 19 19 CYS N N 15 125.333 0.032 . 1 . . . . 365 C N . 17380 1
54 . 1 1 20 20 GLY H H 1 7.434 0.002 . 1 . . . . 366 G HN . 17380 1
55 . 1 1 20 20 GLY CA C 13 46.504 0.021 . 1 . . . . 366 G CA . 17380 1
56 . 1 1 20 20 GLY N N 15 104.061 0.039 . 1 . . . . 366 G N . 17380 1
57 . 1 1 21 21 ASN H H 1 8.499 0.002 . 1 . . . . 367 N HN . 17380 1
58 . 1 1 21 21 ASN CA C 13 54.751 0.029 . 1 . . . . 367 N CA . 17380 1
59 . 1 1 21 21 ASN CB C 13 41.175 0.003 . 1 . . . . 367 N CB . 17380 1
60 . 1 1 21 21 ASN N N 15 120.899 0.031 . 1 . . . . 367 N N . 17380 1
61 . 1 1 22 22 MET H H 1 8.027 0.005 . 1 . . . . 368 M HN . 17380 1
62 . 1 1 22 22 MET CA C 13 54.807 0.014 . 1 . . . . 368 M CA . 17380 1
63 . 1 1 22 22 MET CB C 13 31.318 0.050 . 1 . . . . 368 M CB . 17380 1
64 . 1 1 22 22 MET N N 15 123.940 0.010 . 1 . . . . 368 M N . 17380 1
65 . 1 1 23 23 ASN H H 1 8.747 0.002 . 1 . . . . 369 N HN . 17380 1
66 . 1 1 23 23 ASN CA C 13 52.533 0.014 . 1 . . . . 369 N CA . 17380 1
67 . 1 1 23 23 ASN CB C 13 42.988 0.019 . 1 . . . . 369 N CB . 17380 1
68 . 1 1 23 23 ASN N N 15 125.054 0.018 . 1 . . . . 369 N N . 17380 1
69 . 1 1 24 24 PHE H H 1 7.689 0.002 . 1 . . . . 370 F HN . 17380 1
70 . 1 1 24 24 PHE CA C 13 56.620 0.019 . 1 . . . . 370 F CA . 17380 1
71 . 1 1 24 24 PHE CB C 13 40.112 0.006 . 1 . . . . 370 F CB . 17380 1
72 . 1 1 24 24 PHE N N 15 118.285 0.024 . 1 . . . . 370 F N . 17380 1
73 . 1 1 25 25 ALA H H 1 8.881 0.002 . 1 . . . . 371 A HN . 17380 1
74 . 1 1 25 25 ALA CA C 13 55.364 0.044 . 1 . . . . 371 A CA . 17380 1
75 . 1 1 25 25 ALA CB C 13 19.541 0.019 . 1 . . . . 371 A CB . 17380 1
76 . 1 1 25 25 ALA N N 15 124.372 0.027 . 1 . . . . 371 A N . 17380 1
77 . 1 1 26 26 ARG H H 1 7.712 0.012 . 1 . . . . 372 R HN . 17380 1
78 . 1 1 26 26 ARG CA C 13 56.776 0.049 . 1 . . . . 372 R CA . 17380 1
79 . 1 1 26 26 ARG CB C 13 29.412 0.018 . 1 . . . . 372 R CB . 17380 1
80 . 1 1 26 26 ARG N N 15 110.971 0.033 . 1 . . . . 372 R N . 17380 1
81 . 1 1 27 27 ARG H H 1 8.287 0.002 . 1 . . . . 373 R HN . 17380 1
82 . 1 1 27 27 ARG CA C 13 56.221 0.000 . 1 . . . . 373 R CA . 17380 1
83 . 1 1 27 27 ARG CB C 13 30.940 0.000 . 1 . . . . 373 R CB . 17380 1
84 . 1 1 27 27 ARG N N 15 120.524 0.017 . 1 . . . . 373 R N . 17380 1
85 . 1 1 28 28 ASN CA C 13 53.862 0.084 . 1 . . . . 374 N CA . 17380 1
86 . 1 1 28 28 ASN CB C 13 39.066 0.019 . 1 . . . . 374 N CB . 17380 1
87 . 1 1 29 29 SER H H 1 7.879 0.001 . 1 . . . . 375 S HN . 17380 1
88 . 1 1 29 29 SER CA C 13 56.727 0.019 . 1 . . . . 375 S CA . 17380 1
89 . 1 1 29 29 SER CB C 13 65.801 0.011 . 1 . . . . 375 S CB . 17380 1
90 . 1 1 29 29 SER N N 15 113.996 0.030 . 1 . . . . 375 S N . 17380 1
91 . 1 1 30 30 CYS H H 1 9.654 0.003 . 1 . . . . 376 C HN . 17380 1
92 . 1 1 30 30 CYS CA C 13 58.969 0.049 . 1 . . . . 376 C CA . 17380 1
93 . 1 1 30 30 CYS CB C 13 31.146 0.002 . 1 . . . . 376 C CB . 17380 1
94 . 1 1 30 30 CYS N N 15 126.858 0.039 . 1 . . . . 376 C N . 17380 1
95 . 1 1 31 31 ASN H H 1 8.740 0.001 . 1 . . . . 377 N HN . 17380 1
96 . 1 1 31 31 ASN CA C 13 55.860 0.024 . 1 . . . . 377 N CA . 17380 1
97 . 1 1 31 31 ASN CB C 13 38.879 0.020 . 1 . . . . 377 N CB . 17380 1
98 . 1 1 31 31 ASN N N 15 127.971 0.024 . 1 . . . . 377 N N . 17380 1
99 . 1 1 32 32 GLN H H 1 9.237 0.003 . 1 . . . . 378 Q HN . 17380 1
100 . 1 1 32 32 GLN CA C 13 57.403 0.048 . 1 . . . . 378 Q CA . 17380 1
101 . 1 1 32 32 GLN CB C 13 30.397 0.002 . 1 . . . . 378 Q CB . 17380 1
102 . 1 1 32 32 GLN N N 15 120.963 0.042 . 1 . . . . 378 Q N . 17380 1
103 . 1 1 33 33 CYS H H 1 8.133 0.002 . 1 . . . . 379 C HN . 17380 1
104 . 1 1 33 33 CYS CA C 13 59.095 0.069 . 1 . . . . 379 C CA . 17380 1
105 . 1 1 33 33 CYS CB C 13 32.005 0.024 . 1 . . . . 379 C CB . 17380 1
106 . 1 1 33 33 CYS N N 15 118.233 0.030 . 1 . . . . 379 C N . 17380 1
107 . 1 1 34 34 ASN H H 1 7.951 0.001 . 1 . . . . 380 N HN . 17380 1
108 . 1 1 34 34 ASN CA C 13 55.734 0.059 . 1 . . . . 380 N CA . 17380 1
109 . 1 1 34 34 ASN CB C 13 38.465 0.045 . 1 . . . . 380 N CB . 17380 1
110 . 1 1 34 34 ASN N N 15 118.346 0.029 . 1 . . . . 380 N N . 17380 1
111 . 1 1 35 35 GLU H H 1 8.948 0.002 . 1 . . . . 381 E HN . 17380 1
112 . 1 1 35 35 GLU CA C 13 55.765 0.000 . 1 . . . . 381 E CA . 17380 1
113 . 1 1 35 35 GLU CB C 13 31.531 0.000 . 1 . . . . 381 E CB . 17380 1
114 . 1 1 35 35 GLU N N 15 126.680 0.023 . 1 . . . . 381 E N . 17380 1
115 . 1 1 36 36 PRO CA C 13 62.927 0.055 . 1 . . . . 382 P CA . 17380 1
116 . 1 1 36 36 PRO CB C 13 32.407 0.014 . 1 . . . . 382 P CB . 17380 1
117 . 1 1 37 37 ARG H H 1 7.449 0.001 . 1 . . . . 383 R HN . 17380 1
118 . 1 1 37 37 ARG CA C 13 54.083 0.000 . 1 . . . . 383 R CA . 17380 1
119 . 1 1 37 37 ARG CB C 13 30.552 0.000 . 1 . . . . 383 R CB . 17380 1
120 . 1 1 37 37 ARG N N 15 123.693 0.007 . 1 . . . . 383 R N . 17380 1
121 . 1 1 38 38 PRO CA C 13 62.891 0.051 . 1 . . . . 384 P CA . 17380 1
122 . 1 1 38 38 PRO CB C 13 32.208 0.009 . 1 . . . . 384 P CB . 17380 1
123 . 1 1 39 39 GLU H H 1 8.557 0.004 . 1 . . . . 385 E HN . 17380 1
124 . 1 1 39 39 GLU CA C 13 56.844 0.026 . 1 . . . . 385 E CA . 17380 1
125 . 1 1 39 39 GLU CB C 13 30.363 0.014 . 1 . . . . 385 E CB . 17380 1
126 . 1 1 39 39 GLU N N 15 122.789 0.010 . 1 . . . . 385 E N . 17380 1
127 . 1 1 40 40 ASP H H 1 8.383 0.004 . 1 . . . . 386 D HN . 17380 1
128 . 1 1 40 40 ASP CA C 13 54.309 0.022 . 1 . . . . 386 D CA . 17380 1
129 . 1 1 40 40 ASP CB C 13 41.111 0.004 . 1 . . . . 386 D CB . 17380 1
130 . 1 1 40 40 ASP N N 15 121.046 0.024 . 1 . . . . 386 D N . 17380 1
131 . 1 1 41 41 SER H H 1 8.168 0.004 . 1 . . . . 387 S HN . 17380 1
132 . 1 1 41 41 SER CA C 13 58.388 0.019 . 1 . . . . 387 S CA . 17380 1
133 . 1 1 41 41 SER CB C 13 63.926 0.010 . 1 . . . . 387 S CB . 17380 1
134 . 1 1 41 41 SER N N 15 116.458 0.013 . 1 . . . . 387 S N . 17380 1
135 . 1 1 42 42 ARG H H 1 7.918 0.004 . 1 . . . . 388 R HN . 17380 1
136 . 1 1 42 42 ARG CA C 13 57.732 0.000 . 1 . . . . 388 R CA . 17380 1
137 . 1 1 42 42 ARG CB C 13 31.399 0.000 . 1 . . . . 388 R CB . 17380 1
138 . 1 1 42 42 ARG N N 15 128.375 0.016 . 1 . . . . 388 R N . 17380 1
stop_
save_