###################################
# 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 51656
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name B2AR_Cter_Gs
_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' . . . 51656 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 . . 51656 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 3 3 ALA H H 1 8.117 . . . . . . . . 349 A HN . 51656 1
2 . 1 . 1 3 3 ALA N N 15 124.589 . . . . . . . . 349 A N . 51656 1
3 . 1 . 1 5 5 GLY H H 1 8.279 . . . . . . . . 351 G HN . 51656 1
4 . 1 . 1 5 5 GLY N N 15 110.105 . . . . . . . . 351 G N . 51656 1
5 . 1 . 1 7 7 GLY H H 1 8.400 . . . . . . . . 353 G HN . 51656 1
6 . 1 . 1 7 7 GLY N N 15 108.933 . . . . . . . . 353 G N . 51656 1
7 . 1 . 1 9 9 SER H H 1 8.198 . . . . . . . . 355 S HN . 51656 1
8 . 1 . 1 9 9 SER N N 15 117.498 . . . . . . . . 355 S N . 51656 1
9 . 1 . 1 10 10 SER H H 1 8.298 . . . . . . . . 356 S HN . 51656 1
10 . 1 . 1 10 10 SER N N 15 118.057 . . . . . . . . 356 S N . 51656 1
11 . 1 . 1 11 11 ASN H H 1 8.353 . . . . . . . . 357 N HN . 51656 1
12 . 1 . 1 11 11 ASN N N 15 120.293 . . . . . . . . 357 N N . 51656 1
13 . 1 . 1 14 14 THR H H 1 8.218 . . . . . . . . 360 T HN . 51656 1
14 . 1 . 1 14 14 THR N N 15 113.732 . . . . . . . . 360 T N . 51656 1
15 . 1 . 1 15 15 GLY H H 1 8.413 . . . . . . . . 361 G HN . 51656 1
16 . 1 . 1 15 15 GLY N N 15 110.808 . . . . . . . . 361 G N . 51656 1
17 . 1 . 1 16 16 GLU H H 1 8.262 . . . . . . . . 362 E HN . 51656 1
18 . 1 . 1 16 16 GLU N N 15 120.700 . . . . . . . . 362 E N . 51656 1
19 . 1 . 1 17 17 GLN H H 1 8.472 . . . . . . . . 363 Q HN . 51656 1
20 . 1 . 1 17 17 GLN N N 15 121.082 . . . . . . . . 363 Q N . 51656 1
21 . 1 . 1 18 18 SER H H 1 8.349 . . . . . . . . 364 S HN . 51656 1
22 . 1 . 1 18 18 SER N N 15 116.842 . . . . . . . . 364 S N . 51656 1
23 . 1 . 1 19 19 GLY H H 1 8.372 . . . . . . . . 365 G HN . 51656 1
24 . 1 . 1 19 19 GLY N N 15 110.467 . . . . . . . . 365 G N . 51656 1
25 . 1 . 1 22 22 VAL H H 1 8.026 . . . . . . . . 368 V HN . 51656 1
26 . 1 . 1 22 22 VAL N N 15 122.213 . . . . . . . . 368 V N . 51656 1
27 . 1 . 1 23 23 GLU H H 1 8.542 . . . . . . . . 369 E HN . 51656 1
28 . 1 . 1 23 23 GLU N N 15 124.493 . . . . . . . . 369 E N . 51656 1
29 . 1 . 1 25 25 GLU H H 1 8.460 . . . . . . . . 371 E HN . 51656 1
30 . 1 . 1 25 25 GLU N N 15 122.152 . . . . . . . . 371 E N . 51656 1
31 . 1 . 1 27 27 GLU H H 1 8.363 . . . . . . . . 373 E HN . 51656 1
32 . 1 . 1 27 27 GLU N N 15 121.458 . . . . . . . . 373 E N . 51656 1
33 . 1 . 1 28 28 ASN H H 1 8.444 . . . . . . . . 374 N HN . 51656 1
34 . 1 . 1 28 28 ASN N N 15 120.092 . . . . . . . . 374 N N . 51656 1
35 . 1 . 1 30 30 LEU H H 1 8.181 . . . . . . . . 376 L HN . 51656 1
36 . 1 . 1 30 30 LEU N N 15 122.712 . . . . . . . . 376 L N . 51656 1
37 . 1 . 1 31 31 LEU H H 1 8.132 . . . . . . . . 377 L HN . 51656 1
38 . 1 . 1 31 31 LEU N N 15 122.814 . . . . . . . . 377 L N . 51656 1
39 . 1 . 1 32 32 ALA H H 1 8.171 . . . . . . . . 378 A HN . 51656 1
40 . 1 . 1 32 32 ALA N N 15 124.635 . . . . . . . . 378 A N . 51656 1
41 . 1 . 1 33 33 GLU H H 1 8.316 . . . . . . . . 379 E HN . 51656 1
42 . 1 . 1 33 33 GLU N N 15 119.406 . . . . . . . . 379 E N . 51656 1
43 . 1 . 1 34 34 ASP H H 1 8.294 . . . . . . . . 380 D HN . 51656 1
44 . 1 . 1 34 34 ASP N N 15 121.136 . . . . . . . . 380 D N . 51656 1
45 . 1 . 1 35 35 LEU H H 1 8.089 . . . . . . . . 381 L HN . 51656 1
46 . 1 . 1 35 35 LEU N N 15 123.436 . . . . . . . . 381 L N . 51656 1
47 . 1 . 1 37 37 GLY H H 1 8.508 . . . . . . . . 383 G HN . 51656 1
48 . 1 . 1 37 37 GLY N N 15 109.366 . . . . . . . . 383 G N . 51656 1
49 . 1 . 1 38 38 THR H H 1 8.001 . . . . . . . . 384 T HN . 51656 1
50 . 1 . 1 38 38 THR N N 15 113.011 . . . . . . . . 384 T N . 51656 1
51 . 1 . 1 39 39 GLU H H 1 8.597 . . . . . . . . 385 E HN . 51656 1
52 . 1 . 1 39 39 GLU N N 15 122.817 . . . . . . . . 385 E N . 51656 1
53 . 1 . 1 40 40 ASP H H 1 8.236 . . . . . . . . 386 D HN . 51656 1
54 . 1 . 1 40 40 ASP N N 15 120.879 . . . . . . . . 386 D N . 51656 1
55 . 1 . 1 41 41 PHE H H 1 8.109 . . . . . . . . 387 F HN . 51656 1
56 . 1 . 1 41 41 PHE N N 15 120.566 . . . . . . . . 387 F N . 51656 1
57 . 1 . 1 42 42 VAL H H 1 7.980 . . . . . . . . 388 V HN . 51656 1
58 . 1 . 1 42 42 VAL N N 15 122.186 . . . . . . . . 388 V N . 51656 1
59 . 1 . 1 43 43 GLY H H 1 8.006 . . . . . . . . 389 G HN . 51656 1
60 . 1 . 1 43 43 GLY N N 15 111.317 . . . . . . . . 389 G N . 51656 1
61 . 1 . 1 44 44 HIS H H 1 8.192 . . . . . . . . 390 H HN . 51656 1
62 . 1 . 1 44 44 HIS N N 15 119.147 . . . . . . . . 390 H N . 51656 1
63 . 1 . 1 46 46 GLY H H 1 8.423 . . . . . . . . 392 G HN . 51656 1
64 . 1 . 1 46 46 GLY N N 15 110.125 . . . . . . . . 392 G N . 51656 1
65 . 1 . 1 47 47 THR H H 1 8.074 . . . . . . . . 393 T HN . 51656 1
66 . 1 . 1 47 47 THR N N 15 114.205 . . . . . . . . 393 T N . 51656 1
67 . 1 . 1 48 48 VAL H H 1 8.275 . . . . . . . . 394 V HN . 51656 1
68 . 1 . 1 48 48 VAL N N 15 124.155 . . . . . . . . 394 V N . 51656 1
69 . 1 . 1 50 50 SER H H 1 8.383 . . . . . . . . 396 S HN . 51656 1
70 . 1 . 1 50 50 SER N N 15 115.812 . . . . . . . . 396 S N . 51656 1
71 . 1 . 1 51 51 ASP H H 1 8.315 . . . . . . . . 397 D HN . 51656 1
72 . 1 . 1 51 51 ASP N N 15 121.946 . . . . . . . . 397 D N . 51656 1
73 . 1 . 1 52 52 ASN H H 1 8.306 . . . . . . . . 398 N HN . 51656 1
74 . 1 . 1 52 52 ASN N N 15 118.611 . . . . . . . . 398 N N . 51656 1
75 . 1 . 1 53 53 ILE H H 1 8.082 . . . . . . . . 399 I HN . 51656 1
76 . 1 . 1 53 53 ILE N N 15 120.984 . . . . . . . . 399 I N . 51656 1
77 . 1 . 1 54 54 ASP H H 1 8.415 . . . . . . . . 400 D HN . 51656 1
78 . 1 . 1 54 54 ASP N N 15 123.809 . . . . . . . . 400 D N . 51656 1
79 . 1 . 1 55 55 SER H H 1 8.259 . . . . . . . . 401 S HN . 51656 1
80 . 1 . 1 55 55 SER N N 15 116.352 . . . . . . . . 401 S N . 51656 1
81 . 1 . 1 56 56 GLN H H 1 8.338 . . . . . . . . 402 Q HN . 51656 1
82 . 1 . 1 56 56 GLN N N 15 121.090 . . . . . . . . 402 Q N . 51656 1
83 . 1 . 1 57 57 GLY H H 1 8.315 . . . . . . . . 403 G HN . 51656 1
84 . 1 . 1 57 57 GLY N N 15 109.108 . . . . . . . . 403 G N . 51656 1
85 . 1 . 1 58 58 ARG H H 1 8.152 . . . . . . . . 404 R HN . 51656 1
86 . 1 . 1 58 58 ARG N N 15 120.480 . . . . . . . . 404 R N . 51656 1
87 . 1 . 1 59 59 ASN H H 1 8.494 . . . . . . . . 405 N HN . 51656 1
88 . 1 . 1 59 59 ASN N N 15 119.673 . . . . . . . . 405 N N . 51656 1
89 . 1 . 1 60 60 ALA H H 1 8.265 . . . . . . . . 406 A HN . 51656 1
90 . 1 . 1 60 60 ALA N N 15 124.576 . . . . . . . . 406 A N . 51656 1
91 . 1 . 1 61 61 SER H H 1 8.364 . . . . . . . . 407 S HN . 51656 1
92 . 1 . 1 61 61 SER N N 15 114.989 . . . . . . . . 407 S N . 51656 1
93 . 1 . 1 62 62 THR H H 1 8.134 . . . . . . . . 408 T HN . 51656 1
94 . 1 . 1 62 62 THR N N 15 115.255 . . . . . . . . 408 T N . 51656 1
95 . 1 . 1 63 63 ASN H H 1 8.395 . . . . . . . . 409 N HN . 51656 1
96 . 1 . 1 63 63 ASN N N 15 120.664 . . . . . . . . 409 N N . 51656 1
97 . 1 . 1 65 65 SER H H 1 8.212 . . . . . . . . 411 S HN . 51656 1
98 . 1 . 1 65 65 SER N N 15 115.877 . . . . . . . . 411 S N . 51656 1
99 . 1 . 1 66 66 LEU H H 1 8.107 . . . . . . . . 412 L HN . 51656 1
100 . 1 . 1 66 66 LEU N N 15 123.071 . . . . . . . . 412 L N . 51656 1
stop_
save_