###################################
# 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 17699
_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 0.02
_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 NOESY' . . . 17699 1
2 '2D TOCSY' . . . 17699 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 LEU HA H 1 4.038 0.020 . 1 . . . A 532 LEU HA . 17699 1
2 . 1 1 1 1 LEU HG H 1 1.506 0.020 . 1 . . . A 532 LEU HG . 17699 1
3 . 1 1 1 1 LEU HD11 H 1 0.904 0.020 . 2 . . . A 532 LEU HD11 . 17699 1
4 . 1 1 1 1 LEU HD12 H 1 0.904 0.020 . 2 . . . A 532 LEU HD12 . 17699 1
5 . 1 1 1 1 LEU HD13 H 1 0.904 0.020 . 2 . . . A 532 LEU HD13 . 17699 1
6 . 1 1 1 1 LEU HD21 H 1 0.949 0.020 . 2 . . . A 532 LEU HD21 . 17699 1
7 . 1 1 1 1 LEU HD22 H 1 0.949 0.020 . 2 . . . A 532 LEU HD22 . 17699 1
8 . 1 1 1 1 LEU HD23 H 1 0.949 0.020 . 2 . . . A 532 LEU HD23 . 17699 1
9 . 1 1 1 1 LEU H H 1 7.990 0.020 . 1 . . . A 532 LEU H1 . 17699 1
10 . 1 1 2 2 VAL H H 1 8.690 0.020 . 1 . . . A 533 VAL H . 17699 1
11 . 1 1 2 2 VAL HA H 1 4.157 0.020 . 1 . . . A 533 VAL HA . 17699 1
12 . 1 1 2 2 VAL HB H 1 2.111 0.020 . 1 . . . A 533 VAL HB . 17699 1
13 . 1 1 2 2 VAL HG11 H 1 0.965 0.020 . 2 . . . A 533 VAL HG11 . 17699 1
14 . 1 1 2 2 VAL HG12 H 1 0.965 0.020 . 2 . . . A 533 VAL HG12 . 17699 1
15 . 1 1 2 2 VAL HG13 H 1 0.965 0.020 . 2 . . . A 533 VAL HG13 . 17699 1
16 . 1 1 2 2 VAL HG21 H 1 0.996 0.020 . 2 . . . A 533 VAL HG21 . 17699 1
17 . 1 1 2 2 VAL HG22 H 1 0.996 0.020 . 2 . . . A 533 VAL HG22 . 17699 1
18 . 1 1 2 2 VAL HG23 H 1 0.996 0.020 . 2 . . . A 533 VAL HG23 . 17699 1
19 . 1 1 3 3 ARG H H 1 8.630 0.020 . 1 . . . A 534 ARG H . 17699 1
20 . 1 1 3 3 ARG HA H 1 4.346 0.020 . 1 . . . A 534 ARG HA . 17699 1
21 . 1 1 3 3 ARG HB3 H 1 1.940 0.020 . 1 . . . A 534 ARG HB3 . 17699 1
22 . 1 1 3 3 ARG HD3 H 1 3.216 0.020 . 1 . . . A 534 ARG HD3 . 17699 1
23 . 1 1 3 3 ARG HE H 1 7.426 0.020 . 1 . . . A 534 ARG HE . 17699 1
24 . 1 1 4 4 VAL H H 1 8.244 0.020 . 1 . . . A 535 VAL H . 17699 1
25 . 1 1 4 4 VAL HA H 1 4.070 0.020 . 1 . . . A 535 VAL HA . 17699 1
26 . 1 1 4 4 VAL HB H 1 2.116 0.020 . 1 . . . A 535 VAL HB . 17699 1
27 . 1 1 4 4 VAL HG21 H 1 0.970 0.020 . 1 . . . A 535 VAL HG21 . 17699 1
28 . 1 1 4 4 VAL HG22 H 1 0.970 0.020 . 1 . . . A 535 VAL HG22 . 17699 1
29 . 1 1 4 4 VAL HG23 H 1 0.970 0.020 . 1 . . . A 535 VAL HG23 . 17699 1
30 . 1 1 5 5 ALA H H 1 8.435 0.020 . 1 . . . A 536 ALA H . 17699 1
31 . 1 1 5 5 ALA HA H 1 4.264 0.020 . 1 . . . A 536 ALA HA . 17699 1
32 . 1 1 5 5 ALA HB1 H 1 1.426 0.020 . 1 . . . A 536 ALA HB1 . 17699 1
33 . 1 1 5 5 ALA HB2 H 1 1.426 0.020 . 1 . . . A 536 ALA HB2 . 17699 1
34 . 1 1 5 5 ALA HB3 H 1 1.426 0.020 . 1 . . . A 536 ALA HB3 . 17699 1
35 . 1 1 6 6 ARG H H 1 8.264 0.020 . 1 . . . A 537 ARG H . 17699 1
36 . 1 1 6 6 ARG HA H 1 4.347 0.020 . 1 . . . A 537 ARG HA . 17699 1
37 . 1 1 6 6 ARG HB2 H 1 1.843 0.020 . 2 . . . A 537 ARG HB2 . 17699 1
38 . 1 1 6 6 ARG HB3 H 1 1.944 0.020 . 2 . . . A 537 ARG HB3 . 17699 1
39 . 1 1 6 6 ARG HG2 H 1 1.700 0.020 . 1 . . . A 537 ARG HG2 . 17699 1
40 . 1 1 6 6 ARG HD3 H 1 3.227 0.020 . 1 . . . A 537 ARG HD3 . 17699 1
41 . 1 1 6 6 ARG HE H 1 7.598 0.020 . 1 . . . A 537 ARG HE . 17699 1
42 . 1 1 7 7 LYS H H 1 8.377 0.020 . 1 . . . A 538 LYS H . 17699 1
43 . 1 1 7 7 LYS HA H 1 4.349 0.020 . 1 . . . A 538 LYS HA . 17699 1
44 . 1 1 7 7 LYS HB2 H 1 1.716 0.020 . 2 . . . A 538 LYS HB2 . 17699 1
45 . 1 1 7 7 LYS HB3 H 1 1.792 0.020 . 2 . . . A 538 LYS HB3 . 17699 1
46 . 1 1 7 7 LYS HG2 H 1 1.437 0.020 . 2 . . . A 538 LYS HG2 . 17699 1
47 . 1 1 7 7 LYS HG3 H 1 1.532 0.020 . 2 . . . A 538 LYS HG3 . 17699 1
48 . 1 1 8 8 LEU H H 1 8.136 0.020 . 1 . . . A 539 LEU H . 17699 1
49 . 1 1 8 8 LEU HA H 1 4.188 0.020 . 1 . . . A 539 LEU HA . 17699 1
50 . 1 1 8 8 LEU HB3 H 1 1.505 0.020 . 1 . . . A 539 LEU HB3 . 17699 1
51 . 1 1 8 8 LEU HG H 1 1.317 0.020 . 1 . . . A 539 LEU HG . 17699 1
52 . 1 1 8 8 LEU HD11 H 1 0.790 0.020 . 2 . . . A 539 LEU HD11 . 17699 1
53 . 1 1 8 8 LEU HD12 H 1 0.790 0.020 . 2 . . . A 539 LEU HD12 . 17699 1
54 . 1 1 8 8 LEU HD13 H 1 0.790 0.020 . 2 . . . A 539 LEU HD13 . 17699 1
55 . 1 1 8 8 LEU HD21 H 1 0.869 0.020 . 2 . . . A 539 LEU HD21 . 17699 1
56 . 1 1 8 8 LEU HD22 H 1 0.869 0.020 . 2 . . . A 539 LEU HD22 . 17699 1
57 . 1 1 8 8 LEU HD23 H 1 0.869 0.020 . 2 . . . A 539 LEU HD23 . 17699 1
58 . 1 1 9 9 ASP H H 1 8.037 0.020 . 1 . . . A 540 ASP H . 17699 1
59 . 1 1 9 9 ASP HA H 1 4.433 0.020 . 1 . . . A 540 ASP HA . 17699 1
60 . 1 1 9 9 ASP HB2 H 1 2.750 0.020 . 2 . . . A 540 ASP HB2 . 17699 1
61 . 1 1 9 9 ASP HB3 H 1 2.779 0.020 . 2 . . . A 540 ASP HB3 . 17699 1
62 . 1 1 10 10 ARG H H 1 8.127 0.020 . 1 . . . A 541 ARG H . 17699 1
63 . 1 1 10 10 ARG HA H 1 4.166 0.020 . 1 . . . A 541 ARG HA . 17699 1
64 . 1 1 10 10 ARG HB2 H 1 1.638 0.020 . 2 . . . A 541 ARG HB2 . 17699 1
65 . 1 1 10 10 ARG HB3 H 1 1.737 0.020 . 2 . . . A 541 ARG HB3 . 17699 1
66 . 1 1 10 10 ARG HG2 H 1 1.362 0.020 . 2 . . . A 541 ARG HG2 . 17699 1
67 . 1 1 10 10 ARG HG3 H 1 1.412 0.020 . 2 . . . A 541 ARG HG3 . 17699 1
68 . 1 1 10 10 ARG HD2 H 1 3.100 0.020 . 2 . . . A 541 ARG HD2 . 17699 1
69 . 1 1 10 10 ARG HD3 H 1 3.143 0.020 . 2 . . . A 541 ARG HD3 . 17699 1
70 . 1 1 10 10 ARG HE H 1 7.309 0.020 . 1 . . . A 541 ARG HE . 17699 1
71 . 1 1 11 11 TYR H H 1 8.032 0.020 . 1 . . . A 542 TYR H . 17699 1
72 . 1 1 11 11 TYR HA H 1 4.532 0.020 . 1 . . . A 542 TYR HA . 17699 1
73 . 1 1 11 11 TYR HB2 H 1 3.043 0.020 . 2 . . . A 542 TYR HB2 . 17699 1
74 . 1 1 11 11 TYR HB3 H 1 3.224 0.020 . 2 . . . A 542 TYR HB3 . 17699 1
75 . 1 1 11 11 TYR HD1 H 1 7.069 0.020 . 1 . . . A 542 TYR HD1 . 17699 1
76 . 1 1 11 11 TYR HE1 H 1 6.818 0.020 . 1 . . . A 542 TYR HE1 . 17699 1
77 . 1 1 12 12 SER H H 1 8.329 0.020 . 1 . . . A 543 SER H . 17699 1
78 . 1 1 12 12 SER HA H 1 4.163 0.020 . 1 . . . A 543 SER HA . 17699 1
79 . 1 1 12 12 SER HB2 H 1 3.926 0.020 . 2 . . . A 543 SER HB2 . 17699 1
80 . 1 1 12 12 SER HB3 H 1 4.005 0.020 . 2 . . . A 543 SER HB3 . 17699 1
81 . 1 1 13 13 GLU H H 1 8.265 0.020 . 1 . . . A 544 GLU H . 17699 1
82 . 1 1 13 13 GLU HA H 1 4.132 0.020 . 1 . . . A 544 GLU HA . 17699 1
83 . 1 1 13 13 GLU HB2 H 1 2.033 0.020 . 2 . . . A 544 GLU HB2 . 17699 1
84 . 1 1 13 13 GLU HB3 H 1 2.088 0.020 . 2 . . . A 544 GLU HB3 . 17699 1
85 . 1 1 13 13 GLU HG2 H 1 2.200 0.020 . 2 . . . A 544 GLU HG2 . 17699 1
86 . 1 1 13 13 GLU HG3 H 1 2.325 0.020 . 2 . . . A 544 GLU HG3 . 17699 1
87 . 1 1 14 14 TYR H H 1 7.910 0.020 . 1 . . . A 545 TYR H . 17699 1
88 . 1 1 14 14 TYR HA H 1 4.414 0.020 . 1 . . . A 545 TYR HA . 17699 1
89 . 1 1 14 14 TYR HB2 H 1 3.129 0.020 . 2 . . . A 545 TYR HB2 . 17699 1
90 . 1 1 14 14 TYR HB3 H 1 3.200 0.020 . 2 . . . A 545 TYR HB3 . 17699 1
91 . 1 1 14 14 TYR HD2 H 1 7.109 0.020 . 1 . . . A 545 TYR HD2 . 17699 1
92 . 1 1 14 14 TYR HE2 H 1 6.800 0.020 . 1 . . . A 545 TYR HE2 . 17699 1
93 . 1 1 15 15 GLY H H 1 8.464 0.020 . 1 . . . A 546 GLY H . 17699 1
94 . 1 1 15 15 GLY HA2 H 1 3.745 0.020 . 1 . . . A 546 GLY HA2 . 17699 1
95 . 1 1 15 15 GLY HA3 H 1 3.745 0.020 . 1 . . . A 546 GLY HA3 . 17699 1
96 . 1 1 16 16 ALA H H 1 8.457 0.020 . 1 . . . A 547 ALA H . 17699 1
97 . 1 1 16 16 ALA HA H 1 4.076 0.020 . 1 . . . A 547 ALA HA . 17699 1
98 . 1 1 16 16 ALA HB1 H 1 1.597 0.020 . 1 . . . A 547 ALA HB1 . 17699 1
99 . 1 1 16 16 ALA HB2 H 1 1.597 0.020 . 1 . . . A 547 ALA HB2 . 17699 1
100 . 1 1 16 16 ALA HB3 H 1 1.597 0.020 . 1 . . . A 547 ALA HB3 . 17699 1
101 . 1 1 17 17 ALA H H 1 7.873 0.020 . 1 . . . A 548 ALA H . 17699 1
102 . 1 1 17 17 ALA HA H 1 4.152 0.020 . 1 . . . A 548 ALA HA . 17699 1
103 . 1 1 17 17 ALA HB1 H 1 1.535 0.020 . 1 . . . A 548 ALA HB1 . 17699 1
104 . 1 1 17 17 ALA HB2 H 1 1.535 0.020 . 1 . . . A 548 ALA HB2 . 17699 1
105 . 1 1 17 17 ALA HB3 H 1 1.535 0.020 . 1 . . . A 548 ALA HB3 . 17699 1
106 . 1 1 18 18 VAL H H 1 7.678 0.020 . 1 . . . A 549 VAL H . 17699 1
107 . 1 1 18 18 VAL HA H 1 3.831 0.020 . 1 . . . A 549 VAL HA . 17699 1
108 . 1 1 18 18 VAL HB H 1 2.091 0.020 . 1 . . . A 549 VAL HB . 17699 1
109 . 1 1 18 18 VAL HG11 H 1 0.902 0.020 . 2 . . . A 549 VAL HG11 . 17699 1
110 . 1 1 18 18 VAL HG12 H 1 0.902 0.020 . 2 . . . A 549 VAL HG12 . 17699 1
111 . 1 1 18 18 VAL HG13 H 1 0.902 0.020 . 2 . . . A 549 VAL HG13 . 17699 1
112 . 1 1 18 18 VAL HG21 H 1 0.946 0.020 . 2 . . . A 549 VAL HG21 . 17699 1
113 . 1 1 18 18 VAL HG22 H 1 0.946 0.020 . 2 . . . A 549 VAL HG22 . 17699 1
114 . 1 1 18 18 VAL HG23 H 1 0.946 0.020 . 2 . . . A 549 VAL HG23 . 17699 1
115 . 1 1 19 19 LEU H H 1 7.737 0.020 . 1 . . . A 550 LEU H . 17699 1
116 . 1 1 19 19 LEU HA H 1 4.016 0.020 . 1 . . . A 550 LEU HA . 17699 1
117 . 1 1 19 19 LEU HB3 H 1 1.439 0.020 . 1 . . . A 550 LEU HB3 . 17699 1
118 . 1 1 19 19 LEU HG H 1 1.357 0.020 . 1 . . . A 550 LEU HG . 17699 1
119 . 1 1 19 19 LEU HD11 H 1 0.715 0.020 . 2 . . . A 550 LEU HD11 . 17699 1
120 . 1 1 19 19 LEU HD12 H 1 0.715 0.020 . 2 . . . A 550 LEU HD12 . 17699 1
121 . 1 1 19 19 LEU HD13 H 1 0.715 0.020 . 2 . . . A 550 LEU HD13 . 17699 1
122 . 1 1 19 19 LEU HD21 H 1 0.769 0.020 . 2 . . . A 550 LEU HD21 . 17699 1
123 . 1 1 19 19 LEU HD22 H 1 0.769 0.020 . 2 . . . A 550 LEU HD22 . 17699 1
124 . 1 1 19 19 LEU HD23 H 1 0.769 0.020 . 2 . . . A 550 LEU HD23 . 17699 1
125 . 1 1 20 20 PHE H H 1 7.812 0.020 . 1 . . . A 551 PHE H . 17699 1
126 . 1 1 20 20 PHE HA H 1 4.728 0.020 . 1 . . . A 551 PHE HA . 17699 1
127 . 1 1 20 20 PHE HB2 H 1 3.019 0.020 . 2 . . . A 551 PHE HB2 . 17699 1
128 . 1 1 20 20 PHE HB3 H 1 3.380 0.020 . 2 . . . A 551 PHE HB3 . 17699 1
stop_
save_