###################################
# 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 51310
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ESS2p_proton_assignment
_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
2 '2D 1H-13C HMQC' . . . 51310 1
3 '2D 1H-1H NOESY' . . . 51310 1
4 '2D 1H-1H TOCSY' . . . 51310 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
5 $software_5 . . 51310 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 G H1' H 1 5.727 . . . . . . . . 1 G H1' . 51310 1
2 . 1 . 1 1 1 G H2' H 1 4.855 . . . . . . . . 1 G H2' . 51310 1
3 . 1 . 1 1 1 G H8 H 1 8.067 . . . . . . . . 1 G H8 . 51310 1
4 . 1 . 1 2 2 G H1' H 1 5.826 . . . . . . . . 2 G H1' . 51310 1
5 . 1 . 1 2 2 G H2' H 1 4.437 . . . . . . . . 2 G H2' . 51310 1
6 . 1 . 1 2 2 G H8 H 1 7.481 . . . . . . . . 2 G H8 . 51310 1
7 . 1 . 1 3 3 U H1' H 1 5.479 . . . . . . . . 3 U H1' . 51310 1
8 . 1 . 1 3 3 U H2' H 1 4.578 . . . . . . . . 3 U H2' . 51310 1
9 . 1 . 1 3 3 U H6 H 1 7.655 . . . . . . . . 3 U H6 . 51310 1
10 . 1 . 1 4 4 G H1' H 1 5.691 . . . . . . . . 4 G H1' . 51310 1
11 . 1 . 1 4 4 G H2' H 1 4.452 . . . . . . . . 4 G H2' . 51310 1
12 . 1 . 1 4 4 G H8 H 1 7.603 . . . . . . . . 4 G H8 . 51310 1
13 . 1 . 1 5 5 C H1' H 1 5.368 . . . . . . . . 5 C H1' . 51310 1
14 . 1 . 1 5 5 C H2' H 1 4.250 . . . . . . . . 5 C H2' . 51310 1
15 . 1 . 1 5 5 C H6 H 1 7.521 . . . . . . . . 5 C H6 . 51310 1
16 . 1 . 1 6 6 U H1' H 1 5.599 . . . . . . . . 6 U H1' . 51310 1
17 . 1 . 1 6 6 U H2' H 1 4.412 . . . . . . . . 6 U H2' . 51310 1
18 . 1 . 1 6 6 U H6 H 1 7.701 . . . . . . . . 6 U H6 . 51310 1
19 . 1 . 1 7 7 G H1' H 1 5.635 . . . . . . . . 7 G H1' . 51310 1
20 . 1 . 1 7 7 G H2' H 1 4.505 . . . . . . . . 7 G H2' . 51310 1
21 . 1 . 1 7 7 G H8 H 1 7.693 . . . . . . . . 7 G H8 . 51310 1
22 . 1 . 1 8 8 U H1' H 1 5.505 . . . . . . . . 8 U H1' . 51310 1
23 . 1 . 1 8 8 U H2' H 1 4.224 . . . . . . . . 8 U H2' . 51310 1
24 . 1 . 1 8 8 U H6 H 1 7.538 . . . . . . . . 8 U H6 . 51310 1
25 . 1 . 1 9 9 U H1' H 1 5.673 . . . . . . . . 9 U H1' . 51310 1
26 . 1 . 1 9 9 U H2' H 1 4.691 . . . . . . . . 9 U H2' . 51310 1
27 . 1 . 1 9 9 U H6 H 1 7.668 . . . . . . . . 9 U H6 . 51310 1
28 . 1 . 1 10 10 U H1' H 1 5.805 . . . . . . . . 10 U H1' . 51310 1
29 . 1 . 1 10 10 U H2' H 1 4.320 . . . . . . . . 10 U H2' . 51310 1
30 . 1 . 1 10 10 U H6 H 1 7.717 . . . . . . . . 10 U H6 . 51310 1
31 . 1 . 1 11 11 A H1' H 1 5.909 . . . . . . . . 11 A H1' . 51310 1
32 . 1 . 1 11 11 A H2 H 1 7.681 . . . . . . . . 11 A H2 . 51310 1
33 . 1 . 1 11 11 A H2' H 1 4.726 . . . . . . . . 11 A H2' . 51310 1
34 . 1 . 1 11 11 A H8 H 1 8.325 . . . . . . . . 11 A H8 . 51310 1
35 . 1 . 1 12 12 U H1' H 1 5.318 . . . . . . . . 12 U H1' . 51310 1
36 . 1 . 1 12 12 U H2' H 1 4.008 . . . . . . . . 12 U H2' . 51310 1
37 . 1 . 1 12 12 U H6 H 1 7.604 . . . . . . . . 12 U H6 . 51310 1
38 . 1 . 1 13 13 C H1' H 1 5.500 . . . . . . . . 13 C H1' . 51310 1
39 . 1 . 1 13 13 C H2' H 1 4.245 . . . . . . . . 13 C H2' . 51310 1
40 . 1 . 1 13 13 C H6 H 1 7.852 . . . . . . . . 13 C H6 . 51310 1
41 . 1 . 1 14 14 C H1' H 1 5.315 . . . . . . . . 14 C H1' . 51310 1
42 . 1 . 1 14 14 C H2' H 1 4.518 . . . . . . . . 14 C H2' . 51310 1
43 . 1 . 1 14 14 C H6 H 1 7.584 . . . . . . . . 14 C H6 . 51310 1
44 . 1 . 1 15 15 A H1' H 1 5.811 . . . . . . . . 15 A H1' . 51310 1
45 . 1 . 1 15 15 A H2 H 1 7.179 . . . . . . . . 15 A H2 . 51310 1
46 . 1 . 1 15 15 A H2' H 1 4.235 . . . . . . . . 15 A H2' . 51310 1
47 . 1 . 1 15 15 A H8 H 1 7.811 . . . . . . . . 15 A H8 . 51310 1
48 . 1 . 1 16 16 U H1' H 1 5.220 . . . . . . . . 16 U H1' . 51310 1
49 . 1 . 1 16 16 U H2' H 1 4.022 . . . . . . . . 16 U H2' . 51310 1
50 . 1 . 1 16 16 U H6 H 1 7.232 . . . . . . . . 16 U H6 . 51310 1
51 . 1 . 1 17 17 U H1' H 1 5.787 . . . . . . . . 17 U H1' . 51310 1
52 . 1 . 1 17 17 U H2' H 1 4.198 . . . . . . . . 17 U H2' . 51310 1
53 . 1 . 1 17 17 U H6 H 1 7.723 . . . . . . . . 17 U H6 . 51310 1
54 . 1 . 1 18 18 U H1' H 1 5.797 . . . . . . . . 18 U H1' . 51310 1
55 . 1 . 1 18 18 U H2' H 1 4.185 . . . . . . . . 18 U H2' . 51310 1
56 . 1 . 1 18 18 U H6 H 1 7.875 . . . . . . . . 18 U H6 . 51310 1
57 . 1 . 1 19 19 C H1' H 1 5.727 . . . . . . . . 19 C H1' . 51310 1
58 . 1 . 1 19 19 C H2' H 1 4.269 . . . . . . . . 19 C H2' . 51310 1
59 . 1 . 1 19 19 C H6 H 1 7.740 . . . . . . . . 19 C H6 . 51310 1
60 . 1 . 1 20 20 A H1' H 1 5.571 . . . . . . . . 20 A H1' . 51310 1
61 . 1 . 1 20 20 A H2 H 1 7.894 . . . . . . . . 20 A H2 . 51310 1
62 . 1 . 1 20 20 A H2' H 1 4.394 . . . . . . . . 20 A H2' . 51310 1
63 . 1 . 1 20 20 A H8 H 1 8.028 . . . . . . . . 20 A H8 . 51310 1
64 . 1 . 1 21 21 G H1' H 1 5.458 . . . . . . . . 21 G H1' . 51310 1
65 . 1 . 1 21 21 G H2' H 1 4.581 . . . . . . . . 21 G H2' . 51310 1
66 . 1 . 1 21 21 G H8 H 1 7.528 . . . . . . . . 21 G H8 . 51310 1
67 . 1 . 1 22 22 A H1' H 1 5.558 . . . . . . . . 22 A H1' . 51310 1
68 . 1 . 1 22 22 A H2 H 1 7.744 . . . . . . . . 22 A H2 . 51310 1
69 . 1 . 1 22 22 A H2' H 1 4.621 . . . . . . . . 22 A H2' . 51310 1
70 . 1 . 1 22 22 A H8 H 1 8.157 . . . . . . . . 22 A H8 . 51310 1
71 . 1 . 1 23 23 A H1' H 1 5.675 . . . . . . . . 23 A H1' . 51310 1
72 . 1 . 1 23 23 A H2 H 1 7.794 . . . . . . . . 23 A H2 . 51310 1
73 . 1 . 1 23 23 A H2' H 1 4.451 . . . . . . . . 23 A H2' . 51310 1
74 . 1 . 1 23 23 A H8 H 1 7.873 . . . . . . . . 23 A H8 . 51310 1
75 . 1 . 1 24 24 U H1' H 1 5.342 . . . . . . . . 24 U H1' . 51310 1
76 . 1 . 1 24 24 U H2' H 1 4.114 . . . . . . . . 24 U H2' . 51310 1
77 . 1 . 1 24 24 U H6 H 1 7.402 . . . . . . . . 24 U H6 . 51310 1
78 . 1 . 1 25 25 U H1' H 1 5.610 . . . . . . . . 25 U H1' . 51310 1
79 . 1 . 1 25 25 U H2' H 1 4.448 . . . . . . . . 25 U H2' . 51310 1
80 . 1 . 1 25 25 U H6 H 1 7.802 . . . . . . . . 25 U H6 . 51310 1
81 . 1 . 1 26 26 G H1' H 1 5.747 . . . . . . . . 26 G H1' . 51310 1
82 . 1 . 1 26 26 G H2' H 1 4.587 . . . . . . . . 26 G H2' . 51310 1
83 . 1 . 1 26 26 G H8 H 1 7.718 . . . . . . . . 26 G H8 . 51310 1
84 . 1 . 1 27 27 G H1' H 1 5.667 . . . . . . . . 27 G H1' . 51310 1
85 . 1 . 1 27 27 G H2' H 1 4.406 . . . . . . . . 27 G H2' . 51310 1
86 . 1 . 1 27 27 G H8 H 1 7.234 . . . . . . . . 27 G H8 . 51310 1
87 . 1 . 1 28 28 G H1' H 1 5.653 . . . . . . . . 28 G H1' . 51310 1
88 . 1 . 1 28 28 G H2' H 1 4.499 . . . . . . . . 28 G H2' . 51310 1
89 . 1 . 1 28 28 G H8 H 1 7.028 . . . . . . . . 28 G H8 . 51310 1
90 . 1 . 1 29 29 U H1' H 1 5.422 . . . . . . . . 29 U H1' . 51310 1
91 . 1 . 1 29 29 U H2' H 1 4.431 . . . . . . . . 29 U H2' . 51310 1
92 . 1 . 1 29 29 U H6 H 1 7.422 . . . . . . . . 29 U H6 . 51310 1
93 . 1 . 1 30 30 G H1' H 1 5.483 . . . . . . . . 30 G H1' . 51310 1
94 . 1 . 1 30 30 G H2' H 1 4.237 . . . . . . . . 30 G H2' . 51310 1
95 . 1 . 1 30 30 G H8 H 1 7.445 . . . . . . . . 30 G H8 . 51310 1
96 . 1 . 1 31 31 U H1' H 1 5.358 . . . . . . . . 31 U H1' . 51310 1
97 . 1 . 1 31 31 U H2' H 1 3.935 . . . . . . . . 31 U H2' . 51310 1
98 . 1 . 1 31 31 U H6 H 1 7.357 . . . . . . . . 31 U H6 . 51310 1
99 . 1 . 1 32 32 C H1' H 1 5.409 . . . . . . . . 32 C H1' . 51310 1
100 . 1 . 1 32 32 C H2' H 1 4.071 . . . . . . . . 32 C H2' . 51310 1
101 . 1 . 1 32 32 C H6 H 1 7.545 . . . . . . . . 32 C H6 . 51310 1
102 . 1 . 1 33 33 G H1' H 1 5.411 . . . . . . . . 33 G H1' . 51310 1
103 . 1 . 1 33 33 G H2' H 1 4.456 . . . . . . . . 33 G H2' . 51310 1
104 . 1 . 1 33 33 G H8 H 1 7.589 . . . . . . . . 33 G H8 . 51310 1
105 . 1 . 1 34 34 A H1' H 1 5.672 . . . . . . . . 34 A H1' . 51310 1
106 . 1 . 1 34 34 A H2' H 1 4.496 . . . . . . . . 34 A H2' . 51310 1
107 . 1 . 1 34 34 A H8 H 1 7.935 . . . . . . . . 34 A H8 . 51310 1
108 . 1 . 1 35 35 C H1' H 1 5.622 . . . . . . . . 35 C H1' . 51310 1
109 . 1 . 1 35 35 C H2' H 1 4.261 . . . . . . . . 35 C H2' . 51310 1
110 . 1 . 1 35 35 C H6 H 1 7.527 . . . . . . . . 35 C H6 . 51310 1
111 . 1 . 1 36 36 A H1' H 1 5.623 . . . . . . . . 36 A H1' . 51310 1
112 . 1 . 1 36 36 A H2 H 1 7.746 . . . . . . . . 36 A H2 . 51310 1
113 . 1 . 1 36 36 A H2' H 1 4.422 . . . . . . . . 36 A H2' . 51310 1
114 . 1 . 1 36 36 A H8 H 1 7.943 . . . . . . . . 36 A H8 . 51310 1
115 . 1 . 1 37 37 U H1' H 1 5.410 . . . . . . . . 37 U H1' . 51310 1
116 . 1 . 1 37 37 U H2' H 1 4.063 . . . . . . . . 37 U H2' . 51310 1
117 . 1 . 1 37 37 U H6 H 1 7.477 . . . . . . . . 37 U H6 . 51310 1
118 . 1 . 1 38 38 A H1' H 1 5.822 . . . . . . . . 38 A H1' . 51310 1
119 . 1 . 1 38 38 A H2 H 1 7.143 . . . . . . . . 38 A H2 . 51310 1
120 . 1 . 1 38 38 A H2' H 1 4.646 . . . . . . . . 38 A H2' . 51310 1
121 . 1 . 1 38 38 A H8 H 1 8.201 . . . . . . . . 38 A H8 . 51310 1
122 . 1 . 1 39 39 G H1' H 1 5.509 . . . . . . . . 39 G H1' . 51310 1
123 . 1 . 1 39 39 G H2' H 1 4.327 . . . . . . . . 39 G H2' . 51310 1
124 . 1 . 1 39 39 G H8 H 1 7.274 . . . . . . . . 39 G H8 . 51310 1
125 . 1 . 1 40 40 C H1' H 1 5.382 . . . . . . . . 40 C H1' . 51310 1
126 . 1 . 1 40 40 C H2' H 1 4.367 . . . . . . . . 40 C H2' . 51310 1
127 . 1 . 1 40 40 C H6 H 1 7.556 . . . . . . . . 40 C H6 . 51310 1
128 . 1 . 1 41 41 A H1' H 1 5.847 . . . . . . . . 41 A H1' . 51310 1
129 . 1 . 1 41 41 A H2 H 1 7.331 . . . . . . . . 41 A H2 . 51310 1
130 . 1 . 1 41 41 A H2' H 1 4.449 . . . . . . . . 41 A H2' . 51310 1
131 . 1 . 1 41 41 A H8 H 1 7.960 . . . . . . . . 41 A H8 . 51310 1
132 . 1 . 1 42 42 C H1' H 1 5.317 . . . . . . . . 42 C H1' . 51310 1
133 . 1 . 1 42 42 C H2' H 1 4.010 . . . . . . . . 42 C H2' . 51310 1
134 . 1 . 1 42 42 C H6 H 1 7.437 . . . . . . . . 42 C H6 . 51310 1
135 . 1 . 1 43 43 C H1' H 1 5.459 . . . . . . . . 43 C H1' . 51310 1
136 . 1 . 1 43 43 C H2' H 1 3.883 . . . . . . . . 43 C H2' . 51310 1
137 . 1 . 1 43 43 C H6 H 1 7.539 . . . . . . . . 43 C H6 . 51310 1
stop_
save_