###################################
# 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 25052
_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-1H NOESY' . . . 25052 1
3 '2D 1H-1H NOESY' . . . 25052 1
4 '2D 1H-1H NOESY' . . . 25052 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 ALA HA H 1 4.2279 0.0 . 1 . . . A 1 ALA HA . 25052 1
2 . 1 1 1 1 ALA HB1 H 1 1.2419 0.0 . 1 . . . A 1 ALA HB1 . 25052 1
3 . 1 1 1 1 ALA HB2 H 1 1.2419 0.0 . 1 . . . A 1 ALA HB2 . 25052 1
4 . 1 1 1 1 ALA HB3 H 1 1.2419 0.0 . 1 . . . A 1 ALA HB3 . 25052 1
5 . 1 1 2 2 THR HA H 1 4.10390333333 0.0 . 1 . . . A 2 THR HA . 25052 1
6 . 1 1 2 2 THR HB H 1 3.9254 0.0 . 1 . . . A 2 THR HB . 25052 1
7 . 1 1 2 2 THR HG21 H 1 0.9809 0.0 . 1 . . . A 2 THR HG1 . 25052 1
8 . 1 1 2 2 THR HG22 H 1 0.9809 0.0 . 1 . . . A 2 THR HG1 . 25052 1
9 . 1 1 2 2 THR HG23 H 1 0.9809 0.0 . 1 . . . A 2 THR HG1 . 25052 1
10 . 1 1 3 3 VAL HA H 1 3.98891 0.0 . 1 . . . A 3 VAL HA . 25052 1
11 . 1 1 3 3 VAL HB H 1 1.8759 0.0 . 1 . . . A 3 VAL HB . 25052 1
12 . 1 1 3 3 VAL HG11 H 1 0.780223333333 0.0 . 2 . . . A 3 VAL HG11 . 25052 1
13 . 1 1 3 3 VAL HG12 H 1 0.780223333333 0.0 . 2 . . . A 3 VAL HG12 . 25052 1
14 . 1 1 3 3 VAL HG13 H 1 0.780223333333 0.0 . 2 . . . A 3 VAL HG13 . 25052 1
15 . 1 1 4 4 VAL HA H 1 4.00691 0.0 . 1 . . . A 4 VAL HA . 25052 1
16 . 1 1 4 4 VAL HB H 1 1.91491 0.0 . 1 . . . A 4 VAL HB . 25052 1
17 . 1 1 4 4 VAL HG11 H 1 0.77829 0.0 . 2 . . . A 4 VAL HG11 . 25052 1
18 . 1 1 4 4 VAL HG12 H 1 0.77829 0.0 . 2 . . . A 4 VAL HG12 . 25052 1
19 . 1 1 4 4 VAL HG13 H 1 0.77829 0.0 . 2 . . . A 4 VAL HG13 . 25052 1
20 . 1 1 5 5 SER HA H 1 4.29491 0.0 . 1 . . . A 5 SER HA . 25052 1
21 . 1 1 5 5 SER HB2 H 1 3.74591 0.0 . 2 . . . A 5 SER HB2 . 25052 1
22 . 1 1 6 6 GLY HA2 H 1 3.80041 0.0 . 2 . . . A 6 GLY HA2 . 25052 1
23 . 1 1 7 7 GLN HA H 1 4.19591 0.0 . 1 . . . A 7 GLN HA . 25052 1
24 . 1 1 7 7 GLN HB2 H 1 1.82591 0.0 . 2 . . . A 7 GLN HB2 . 25052 1
25 . 1 1 7 7 GLN HG2 H 1 2.15189666667 0.0 . 2 . . . A 7 GLN HG2 . 25052 1
26 . 1 1 8 8 LYS HA H 1 4.12591 0.0 . 1 . . . A 8 LYS HA . 25052 1
27 . 1 1 8 8 LYS HE2 H 1 2.84891 0.0 . 2 . . . A 8 LYS HE2 . 25052 1
28 . 1 1 18 18 ARG HA H 1 4.02322333333 0.0 . 1 . . . A 18 ARG HA . 25052 1
29 . 1 1 18 18 ARG HB2 H 1 1.54522333333 0.0 . 2 . . . A 18 ARG HB2 . 25052 1
30 . 1 1 18 18 ARG HG2 H 1 1.38839 0.0 . 2 . . . A 18 ARG HG2 . 25052 1
31 . 1 1 18 18 ARG HD2 H 1 2.94289 0.0 . 2 . . . A 18 ARG HD2 . 25052 1
32 . 1 1 19 19 SER HA H 1 4.24391 0.0 . 1 . . . A 19 SER HA . 25052 1
33 . 1 1 19 19 SER HB2 H 1 3.6224 0.0 . 2 . . . A 19 SER HB2 . 25052 1
34 . 1 1 21 21 LEU HA H 1 4.25091 0.0 . 1 . . . A 21 LEU HA . 25052 1
35 . 1 1 21 21 LEU HG H 1 1.35291 0.0 . 1 . . . A 21 LEU HG . 25052 1
36 . 1 1 21 21 LEU HD11 H 1 0.376048947368 0.0 . 2 . . . A 21 LEU HD11 . 25052 1
37 . 1 1 21 21 LEU HD12 H 1 0.376048947368 0.0 . 2 . . . A 21 LEU HD12 . 25052 1
38 . 1 1 21 21 LEU HD13 H 1 0.376048947368 0.0 . 2 . . . A 21 LEU HD13 . 25052 1
39 . 1 1 22 22 ASP HA H 1 4.59091 0.0 . 1 . . . A 22 ASP HA . 25052 1
40 . 1 1 22 22 ASP HB2 H 1 2.59591 0.0 . 2 . . . A 22 ASP HB2 . 25052 1
41 . 1 1 23 23 ARG HA H 1 4.20689 0.0 . 1 . . . A 23 ARG HA . 25052 1
42 . 1 1 23 23 ARG HB2 H 1 1.74089 0.0 . 2 . . . A 23 ARG HB2 . 25052 1
43 . 1 1 23 23 ARG HD2 H 1 3.13289 0.0 . 2 . . . A 23 ARG HD2 . 25052 1
44 . 1 1 24 24 ASP HA H 1 4.64289 0.0 . 1 . . . A 24 ASP HA . 25052 1
45 . 1 1 24 24 ASP HB2 H 1 2.51489 0.0 . 2 . . . A 24 ASP HB2 . 25052 1
46 . 1 1 26 26 CYS HA H 1 4.3749 0.0 . 1 . . . A 26 CYS HA . 25052 1
47 . 1 1 26 26 CYS HB2 H 1 2.32439 0.0 . 2 . . . A 26 CYS HB2 . 25052 1
48 . 1 1 27 27 ALA HA H 1 3.74391 0.0 . 1 . . . A 27 ALA HA . 25052 1
49 . 1 1 27 27 ALA HB1 H 1 0.8980425 0.0 . 1 . . . A 27 ALA HB1 . 25052 1
50 . 1 1 27 27 ALA HB2 H 1 0.8980425 0.0 . 1 . . . A 27 ALA HB2 . 25052 1
51 . 1 1 27 27 ALA HB3 H 1 0.8980425 0.0 . 1 . . . A 27 ALA HB3 . 25052 1
52 . 1 1 28 28 TYR HA H 1 4.25455666667 0.0 . 1 . . . A 28 TYR HA . 25052 1
53 . 1 1 28 28 TYR HB2 H 1 3.08489 0.0 . 2 . . . A 28 TYR HB2 . 25052 1
54 . 1 1 28 28 TYR HD2 H 1 6.82813 0.0 . 3 . . . A 28 TYR HD2 . 25052 1
55 . 1 1 28 28 TYR HE2 H 1 6.39527421053 0.0 . 3 . . . A 28 TYR HE2 . 25052 1
56 . 1 1 29 29 CYS HA H 1 4.14289 0.0 . 1 . . . A 29 CYS HA . 25052 1
57 . 1 1 29 29 CYS HB2 H 1 2.39889 0.0 . 2 . . . A 29 CYS HB2 . 25052 1
58 . 1 1 30 30 LYS HA H 1 4.15391 0.0 . 1 . . . A 30 LYS HA . 25052 1
59 . 1 1 30 30 LYS HE2 H 1 2.612898 0.0 . 2 . . . A 30 LYS HE2 . 25052 1
60 . 1 1 31 31 GLU HA H 1 4.26841 0.0 . 1 . . . A 31 GLU HA . 25052 1
61 . 1 1 31 31 GLU HB2 H 1 1.98089 0.0 . 2 . . . A 31 GLU HB2 . 25052 1
62 . 1 1 31 31 GLU HG2 H 1 2.294895 0.0 . 2 . . . A 31 GLU HG2 . 25052 1
63 . 1 1 34 34 HIS HA H 1 4.12628 0.0 . 1 . . . A 34 HIS HA . 25052 1
64 . 1 1 34 34 HIS HB2 H 1 3.07273 0.0 . 2 . . . A 34 HIS HB2 . 25052 1
65 . 1 1 34 34 HIS HB3 H 1 3.30868333333 0.0 . 2 . . . A 34 HIS HB3 . 25052 1
66 . 1 1 34 34 HIS HD1 H 1 7.09273444444 0.0 . 1 . . . A 34 HIS HD1 . 25052 1
67 . 1 1 34 34 HIS HE1 H 1 7.53271 0.0 . 1 . . . A 34 HIS HE1 . 25052 1
68 . 1 1 35 35 TRP HA H 1 5.3486525 0.0 . 1 . . . A 35 TRP HA . 25052 1
69 . 1 1 35 35 TRP HB2 H 1 3.18489 0.0 . 2 . . . A 35 TRP HB2 . 25052 1
70 . 1 1 35 35 TRP HD1 H 1 6.58254454545 0.0 . 1 . . . A 35 TRP HD1 . 25052 1
71 . 1 1 35 35 TRP HE3 H 1 6.82521307692 0.0 . 1 . . . A 35 TRP HE3 . 25052 1
72 . 1 1 35 35 TRP HZ2 H 1 7.25081727273 0.0 . 1 . . . A 35 TRP HZ2 . 25052 1
73 . 1 1 35 35 TRP HZ3 H 1 6.61544818182 0.0 . 1 . . . A 35 TRP HZ3 . 25052 1
74 . 1 1 35 35 TRP HH2 H 1 6.94840333333 0.0 . 1 . . . A 35 TRP HH2 . 25052 1
75 . 1 1 36 36 ALA HB1 H 1 1.52289 0.0 . 1 . . . A 36 ALA HB1 . 25052 1
76 . 1 1 36 36 ALA HB2 H 1 1.52289 0.0 . 1 . . . A 36 ALA HB2 . 25052 1
77 . 1 1 36 36 ALA HB3 H 1 1.52289 0.0 . 1 . . . A 36 ALA HB3 . 25052 1
78 . 1 1 37 37 LYS HA H 1 3.97389 0.0 . 1 . . . A 37 LYS HA . 25052 1
79 . 1 1 37 37 LYS HB2 H 1 1.83555666667 0.0 . 2 . . . A 37 LYS HB2 . 25052 1
80 . 1 1 37 37 LYS HG2 H 1 1.28564 0.0 . 2 . . . A 37 LYS HG2 . 25052 1
81 . 1 1 37 37 LYS HG3 H 1 1.61564 0.0 . 2 . . . A 37 LYS HG3 . 25052 1
82 . 1 1 37 37 LYS HE2 H 1 2.81214 0.0 . 2 . . . A 37 LYS HE2 . 25052 1
83 . 1 1 38 38 ASP HA H 1 4.92935444444 0.0 . 1 . . . A 38 ASP HA . 25052 1
84 . 1 1 38 38 ASP HB2 H 1 2.63039 0.0 . 2 . . . A 38 ASP HB2 . 25052 1
85 . 1 1 39 39 CYS HB2 H 1 3.13889 0.0 . 2 . . . A 39 CYS HB2 . 25052 1
86 . 1 1 39 39 CYS HB3 H 1 3.03089 0.0 . 2 . . . A 39 CYS HB3 . 25052 1
87 . 1 1 41 41 LYS HB2 H 1 1.81139 0.0 . 2 . . . A 41 LYS HB2 . 25052 1
88 . 1 1 41 41 LYS HE2 H 1 2.89189 0.0 . 2 . . . A 41 LYS HE2 . 25052 1
89 . 1 1 42 42 LYS HA H 1 3.71091 0.0 . 1 . . . A 42 LYS HA . 25052 1
90 . 1 1 42 42 LYS HG2 H 1 0.60249 0.0 . 2 . . . A 42 LYS HG2 . 25052 1
91 . 1 1 42 42 LYS HD2 H 1 1.13789 0.0 . 2 . . . A 42 LYS HD2 . 25052 1
92 . 1 1 42 42 LYS HD3 H 1 1.26389 0.0 . 2 . . . A 42 LYS HD3 . 25052 1
93 . 1 1 42 42 LYS HE2 H 1 2.480895 0.0 . 2 . . . A 42 LYS HE2 . 25052 1
94 . 1 1 45 45 GLY HA2 H 1 3.65823 0.0 . 2 . . . A 45 GLY HA2 . 25052 1
95 . 1 1 46 46 PRO HA H 1 4.45491 0.0 . 1 . . . A 46 PRO HA . 25052 1
96 . 1 1 54 54 SER HA H 1 4.33891 0.0 . 1 . . . A 54 SER HA . 25052 1
97 . 1 1 54 54 SER HB2 H 1 3.7139 0.0 . 2 . . . A 54 SER HB2 . 25052 1
98 . 1 1 55 55 LEU HA H 1 4.24191 0.0 . 1 . . . A 55 LEU HA . 25052 1
99 . 1 1 55 55 LEU HB2 H 1 1.48989 0.0 . 2 . . . A 55 LEU HB2 . 25052 1
100 . 1 1 55 55 LEU HG H 1 1.48990333333 0.0 . 1 . . . A 55 LEU HG . 25052 1
101 . 1 1 55 55 LEU HD11 H 1 0.77889 0.0 . 2 . . . A 55 LEU HD11 . 25052 1
102 . 1 1 55 55 LEU HD12 H 1 0.71589 0.0 . 2 . . . A 55 LEU HD12 . 25052 1
103 . 1 1 55 55 LEU HD13 H 1 0.77889 0.0 . 2 . . . A 55 LEU HD13 . 25052 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_chem_shift_list_1_dup
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_dup
_Assigned_chem_shift_list.Entry_ID 25052
_Assigned_chem_shift_list.ID 2
_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-1H NOESY' . . . 25052 2
3 '2D 1H-1H NOESY' . . . 25052 2
4 '2D 1H-1H NOESY' . . . 25052 2
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 . 2 2 1 1 G H1' H 1 5.84717 0.0 . 1 . . . B 93 G H1' . 25052 2
2 . 2 2 1 1 G H2' H 1 4.94586 0.0 . 1 . . . B 93 G H2' . 25052 2
3 . 2 2 2 2 G H1' H 1 5.9372 0.0 . 1 . . . B 94 G H1' . 25052 2
4 . 2 2 2 2 G H8 H 1 7.57772 0.0 . 1 . . . B 94 G H8 . 25052 2
5 . 2 2 3 3 G H1' H 1 5.80265 0.0 . 1 . . . B 95 G H1' . 25052 2
6 . 2 2 3 3 G H8 H 1 7.29898 0.0 . 1 . . . B 95 G H8 . 25052 2
7 . 2 2 4 4 C H1' H 1 5.53776 0.0 . 1 . . . B 96 C H1' . 25052 2
8 . 2 2 4 4 C H6 H 1 7.41986 0.0 . 1 . . . B 96 C H6 . 25052 2
9 . 2 2 5 5 G H1' H 1 5.70456 0.0 . 1 . . . B 97 G H1' . 25052 2
10 . 2 2 5 5 G H8 H 1 7.5744 0.0 . 1 . . . B 97 G H8 . 25052 2
11 . 2 2 6 6 A H1' H 1 5.97883 0.0 . 1 . . . B 98 A H1' . 25052 2
12 . 2 2 6 6 A H8 H 1 7.91785 0.0 . 1 . . . B 98 A H8 . 25052 2
13 . 2 2 7 7 G H1' H 1 5.78795 0.0 . 1 . . . B 99 G H1' . 25052 2
14 . 2 2 7 7 G H8 H 1 7.34222 0.0 . 1 . . . B 99 G H8 . 25052 2
15 . 2 2 8 8 G H8 H 1 7.81571 0.0 . 1 . . . B 100 G H8 . 25052 2
16 . 2 2 9 9 G H1' H 1 5.769905 0.0 . 1 . . . B 101 G H1' . 25052 2
17 . 2 2 9 9 G H8 H 1 7.20656 0.0 . 1 . . . B 101 G H8 . 25052 2
18 . 2 2 10 10 U H5 H 1 5.48451 0.0 . 1 . . . B 102 U H5 . 25052 2
19 . 2 2 10 10 U H6 H 1 7.71669 0.0 . 1 . . . B 102 U H6 . 25052 2
20 . 2 2 12 12 U H5 H 1 5.70804 0.0 . 1 . . . B 104 U H5 . 25052 2
21 . 2 2 12 12 U H6 H 1 7.96503 0.0 . 1 . . . B 104 U H6 . 25052 2
22 . 2 2 13 13 C H1' H 1 5.56143 0.0 . 1 . . . B 105 C H1' . 25052 2
23 . 2 2 13 13 C H6 H 1 7.99306 0.0 . 1 . . . B 105 C H6 . 25052 2
24 . 2 2 15 15 U H1' H 1 5.63732 0.0 . 1 . . . B 107 U H1' . 25052 2
25 . 2 2 15 15 U H2' H 1 3.16464 0.0 . 1 . . . B 107 U H2' . 25052 2
26 . 2 2 15 15 U H3' H 1 4.30189 0.0 . 1 . . . B 107 U H3' . 25052 2
27 . 2 2 15 15 U H5 H 1 5.76288 0.0 . 1 . . . B 107 U H5 . 25052 2
28 . 2 2 15 15 U H5' H 1 4.18539 0.0 . 2 . . . B 107 U H5' . 25052 2
29 . 2 2 15 15 U H5'' H 1 4.05222333333 0.0 . 2 . . . B 107 U H5'' . 25052 2
30 . 2 2 15 15 U H6 H 1 7.86284 0.0 . 1 . . . B 107 U H6 . 25052 2
31 . 2 2 16 16 C H1' H 1 5.92684533333 0.0 . 1 . . . B 108 C H1' . 25052 2
32 . 2 2 16 16 C H2' H 1 4.14489 0.0 . 1 . . . B 108 C H2' . 25052 2
33 . 2 2 16 16 C H3' H 1 4.38222333333 0.0 . 1 . . . B 108 C H3' . 25052 2
34 . 2 2 16 16 C H4' H 1 4.59555666667 0.0 . 1 . . . B 108 C H4' . 25052 2
35 . 2 2 16 16 C H5 H 1 6.19467 0.0 . 1 . . . B 108 C H5 . 25052 2
36 . 2 2 16 16 C H5' H 1 3.78839 0.0 . 2 . . . B 108 C H5' . 25052 2
37 . 2 2 16 16 C H5'' H 1 3.84322333333 0.0 . 2 . . . B 108 C H5'' . 25052 2
38 . 2 2 16 16 C H6 H 1 7.68798 0.0 . 1 . . . B 108 C H6 . 25052 2
39 . 2 2 17 17 U H1' H 1 5.86533125 0.0 . 1 . . . B 109 U H1' . 25052 2
40 . 2 2 17 17 U H2' H 1 3.89071 0.0 . 1 . . . B 109 U H2' . 25052 2
41 . 2 2 17 17 U H3' H 1 4.19935333333 0.0 . 1 . . . B 109 U H3' . 25052 2
42 . 2 2 17 17 U H4' H 1 4.14186333333 0.0 . 1 . . . B 109 U H4' . 25052 2
43 . 2 2 17 17 U H5 H 1 5.743385 0.0 . 1 . . . B 109 U H5 . 25052 2
44 . 2 2 17 17 U H6 H 1 7.626285 0.0 . 1 . . . B 109 U H6 . 25052 2
45 . 2 2 18 18 G H1' H 1 5.225898 0.0 . 1 . . . B 110 G H1' . 25052 2
46 . 2 2 18 18 G H2' H 1 4.49085 0.0 . 1 . . . B 110 G H2' . 25052 2
47 . 2 2 18 18 G H3' H 1 4.40081666667 0.0 . 1 . . . B 110 G H3' . 25052 2
48 . 2 2 18 18 G H4' H 1 4.03156 0.0 . 1 . . . B 110 G H4' . 25052 2
49 . 2 2 18 18 G H5' H 1 3.75289 0.0 . 2 . . . B 110 G H5' . 25052 2
50 . 2 2 18 18 G H5'' H 1 3.90189 0.0 . 2 . . . B 110 G H5'' . 25052 2
51 . 2 2 18 18 G H8 H 1 7.71100809524 0.0 . 1 . . . B 110 G H8 . 25052 2
52 . 2 2 19 19 A H1' H 1 5.9469 0.0 . 1 . . . B 111 A H1' . 25052 2
53 . 2 2 19 19 A H2 H 1 7.752945 0.0 . 1 . . . B 111 A H2 . 25052 2
54 . 2 2 19 19 A H8 H 1 8.26261 0.0 . 1 . . . B 111 A H8 . 25052 2
55 . 2 2 20 20 G H1' H 1 5.62382 0.0 . 1 . . . B 112 G H1' . 25052 2
56 . 2 2 20 20 G H8 H 1 7.41987 0.0 . 1 . . . B 112 G H8 . 25052 2
57 . 2 2 21 21 U H5 H 1 5.1924 0.0 . 1 . . . B 113 U H5 . 25052 2
58 . 2 2 21 21 U H6 H 1 7.68825 0.0 . 1 . . . B 113 U H6 . 25052 2
59 . 2 2 22 22 G H1' H 1 5.83813 0.0 . 1 . . . B 114 G H1' . 25052 2
60 . 2 2 22 22 G H8 H 1 7.71882 0.0 . 1 . . . B 114 G H8 . 25052 2
61 . 2 2 23 23 A H1' H 1 5.868665 0.0 . 1 . . . B 115 A H1' . 25052 2
62 . 2 2 23 23 A H2 H 1 7.8838075 0.0 . 1 . . . B 115 A H2 . 25052 2
63 . 2 2 23 23 A H8 H 1 7.57661 0.0 . 1 . . . B 115 A H8 . 25052 2
64 . 2 2 24 24 U H1' H 1 5.243156 0.0 . 1 . . . B 116 U H1' . 25052 2
65 . 2 2 24 24 U H5 H 1 5.19752 0.0 . 1 . . . B 116 U H5 . 25052 2
66 . 2 2 24 24 U H6 H 1 7.273905 0.0 . 1 . . . B 116 U H6 . 25052 2
67 . 2 2 25 25 U H6 H 1 7.76802 0.0 . 1 . . . B 117 U H6 . 25052 2
68 . 2 2 27 27 A H1' H 1 6.02524 0.0 . 1 . . . B 119 A H1' . 25052 2
69 . 2 2 27 27 A H2 H 1 7.86049 0.0 . 1 . . . B 119 A H2 . 25052 2
70 . 2 2 27 27 A H8 H 1 7.864365 0.0 . 1 . . . B 119 A H8 . 25052 2
71 . 2 2 28 28 C H1' H 1 5.40529666667 0.0 . 1 . . . B 120 C H1' . 25052 2
72 . 2 2 28 28 C H5 H 1 5.12250666667 0.0 . 1 . . . B 120 C H5 . 25052 2
73 . 2 2 28 28 C H6 H 1 7.329225 0.0 . 1 . . . B 120 C H6 . 25052 2
74 . 2 2 29 29 U H1' H 1 5.863685 0.0 . 1 . . . B 121 U H1' . 25052 2
75 . 2 2 29 29 U H5 H 1 5.62174 0.0 . 1 . . . B 121 U H5 . 25052 2
76 . 2 2 29 29 U H6 H 1 7.7777675 0.0 . 1 . . . B 121 U H6 . 25052 2
77 . 2 2 30 30 A H1' H 1 6.16545 0.0 . 1 . . . B 122 A H1' . 25052 2
78 . 2 2 30 30 A H2 H 1 8.23256 0.0 . 1 . . . B 122 A H2 . 25052 2
79 . 2 2 30 30 A H8 H 1 8.3943225 0.0 . 1 . . . B 122 A H8 . 25052 2
80 . 2 2 31 31 C H1' H 1 5.35488 0.0 . 1 . . . B 123 C H1' . 25052 2
81 . 2 2 31 31 C H5 H 1 5.896815 0.0 . 1 . . . B 123 C H5 . 25052 2
82 . 2 2 31 31 C H6 H 1 7.97011 0.0 . 1 . . . B 123 C H6 . 25052 2
83 . 2 2 32 32 C H5 H 1 5.54369 0.0 . 1 . . . B 124 C H5 . 25052 2
84 . 2 2 32 32 C H6 H 1 7.88761666667 0.0 . 1 . . . B 124 C H6 . 25052 2
85 . 2 2 33 33 C H1' H 1 5.51073 0.0 . 1 . . . B 125 C H1' . 25052 2
86 . 2 2 33 33 C H5 H 1 5.48276 0.0 . 1 . . . B 125 C H5 . 25052 2
87 . 2 2 33 33 C H6 H 1 7.75864 0.0 . 1 . . . B 125 C H6 . 25052 2
88 . 2 2 34 34 G H1' H 1 5.70452 0.0 . 1 . . . B 126 G H1' . 25052 2
89 . 2 2 34 34 G H8 H 1 7.494275 0.0 . 1 . . . B 126 G H8 . 25052 2
90 . 2 2 35 35 U H5 H 1 5.416735 0.0 . 1 . . . B 127 U H5 . 25052 2
91 . 2 2 35 35 U H6 H 1 7.56636 0.0 . 1 . . . B 127 U H6 . 25052 2
92 . 2 2 36 36 C H1' H 1 6.044535 0.0 . 1 . . . B 128 C H1' . 25052 2
93 . 2 2 36 36 C H5 H 1 6.013335 0.0 . 1 . . . B 128 C H5 . 25052 2
94 . 2 2 36 36 C H6 H 1 7.97168 0.0 . 1 . . . B 128 C H6 . 25052 2
95 . 2 2 37 37 A H1' H 1 5.8797 0.0 . 1 . . . B 129 A H1' . 25052 2
96 . 2 2 37 37 A H8 H 1 8.14492 0.0 . 1 . . . B 129 A H8 . 25052 2
97 . 2 2 38 38 G H1' H 1 5.9302 0.0 . 1 . . . B 130 G H1' . 25052 2
98 . 2 2 38 38 G H8 H 1 7.87534 0.0 . 1 . . . B 130 G H8 . 25052 2
99 . 2 2 39 39 C H5 H 1 5.986365 0.0 . 1 . . . B 131 C H5 . 25052 2
100 . 2 2 39 39 C H6 H 1 8.0636 0.0 . 1 . . . B 131 C H6 . 25052 2
101 . 2 2 40 40 G H1' H 1 5.68891 0.0 . 1 . . . B 132 G H1' . 25052 2
102 . 2 2 40 40 G H8 H 1 7.61964 0.0 . 1 . . . B 132 G H8 . 25052 2
103 . 2 2 41 41 G H1' H 1 5.75118 0.0 . 1 . . . B 133 G H1' . 25052 2
104 . 2 2 41 41 G H8 H 1 7.21821 0.0 . 1 . . . B 133 G H8 . 25052 2
105 . 2 2 42 42 G H1' H 1 5.763875 0.0 . 1 . . . B 134 G H1' . 25052 2
106 . 2 2 42 42 G H8 H 1 7.028285 0.0 . 1 . . . B 134 G H8 . 25052 2
107 . 2 2 43 43 G H1' H 1 5.6885 0.0 . 1 . . . B 135 G H1' . 25052 2
108 . 2 2 43 43 G H8 H 1 7.311965 0.0 . 1 . . . B 135 G H8 . 25052 2
109 . 2 2 44 44 G H1' H 1 5.59636 0.0 . 1 . . . B 136 G H1' . 25052 2
110 . 2 2 44 44 G H8 H 1 7.299045 0.0 . 1 . . . B 136 G H8 . 25052 2
111 . 2 2 45 45 U H5 H 1 5.062085 0.0 . 1 . . . B 137 U H5 . 25052 2
112 . 2 2 45 45 U H6 H 1 7.73855 0.0 . 1 . . . B 137 U H6 . 25052 2
113 . 2 2 48 48 U H1' H 1 5.350145 0.0 . 1 . . . B 140 U H1' . 25052 2
114 . 2 2 48 48 U H5 H 1 5.63416 0.0 . 1 . . . B 140 U H5 . 25052 2
115 . 2 2 48 48 U H6 H 1 7.86263 0.0 . 1 . . . B 140 U H6 . 25052 2
116 . 2 2 49 49 U H1' H 1 5.7525 0.0 . 1 . . . B 141 U H1' . 25052 2
117 . 2 2 49 49 U H5 H 1 5.80082666667 0.0 . 1 . . . B 141 U H5 . 25052 2
118 . 2 2 49 49 U H6 H 1 8.0371525 0.0 . 1 . . . B 141 U H6 . 25052 2
119 . 2 2 50 50 C H1' H 1 5.5732675 0.0 . 1 . . . B 142 C H1' . 25052 2
120 . 2 2 50 50 C H5 H 1 5.71788 0.0 . 1 . . . B 142 C H5 . 25052 2
121 . 2 2 50 50 C H6 H 1 7.7585 0.0 . 1 . . . B 142 C H6 . 25052 2
122 . 2 2 51 51 A H1' H 1 5.9342675 0.0 . 1 . . . B 143 A H1' . 25052 2
123 . 2 2 51 51 A H2 H 1 7.39729 0.0 . 1 . . . B 143 A H2 . 25052 2
124 . 2 2 51 51 A H8 H 1 8.02108 0.0 . 1 . . . B 143 A H8 . 25052 2
125 . 2 2 52 52 U H1' H 1 5.39731 0.0 . 1 . . . B 144 U H1' . 25052 2
126 . 2 2 52 52 U H5 H 1 5.40097 0.0 . 1 . . . B 144 U H5 . 25052 2
127 . 2 2 52 52 U H6 H 1 7.56261 0.0 . 1 . . . B 144 U H6 . 25052 2
128 . 2 2 53 53 U H6 H 1 7.77924 0.0 . 1 . . . B 145 U H6 . 25052 2
129 . 2 2 57 57 G H1' H 1 5.81656 0.0 . 1 . . . B 149 G H1' . 25052 2
130 . 2 2 57 57 G H8 H 1 7.16927 0.0 . 1 . . . B 149 G H8 . 25052 2
131 . 2 2 58 58 G H1' H 1 5.826025 0.0 . 1 . . . B 150 G H1' . 25052 2
132 . 2 2 58 58 G H8 H 1 7.30454333333 0.0 . 1 . . . B 150 G H8 . 25052 2
133 . 2 2 59 59 G H1' H 1 5.78529 0.0 . 1 . . . B 151 G H1' . 25052 2
134 . 2 2 59 59 G H8 H 1 7.19506 0.0 . 1 . . . B 151 G H8 . 25052 2
135 . 2 2 60 60 C H1' H 1 5.5686 0.0 . 1 . . . B 152 C H1' . 25052 2
136 . 2 2 60 60 C H5 H 1 5.295455 0.0 . 1 . . . B 152 C H5 . 25052 2
137 . 2 2 60 60 C H6 H 1 7.5831625 0.0 . 1 . . . B 152 C H6 . 25052 2
138 . 2 2 61 61 U H5 H 1 5.7522 0.0 . 1 . . . B 153 U H5 . 25052 2
139 . 2 2 61 61 U H6 H 1 7.864525 0.0 . 1 . . . B 153 U H6 . 25052 2
140 . 2 2 62 62 C H1' H 1 5.76935 0.0 . 1 . . . B 154 C H1' . 25052 2
141 . 2 2 62 62 C H6 H 1 7.835815 0.0 . 1 . . . B 154 C H6 . 25052 2
142 . 2 2 64 64 U H1' H 1 5.668465 0.0 . 1 . . . B 156 U H1' . 25052 2
143 . 2 2 64 64 U H5 H 1 5.29315 0.0 . 1 . . . B 156 U H5 . 25052 2
144 . 2 2 64 64 U H6 H 1 7.68121 0.0 . 1 . . . B 156 U H6 . 25052 2
145 . 2 2 65 65 G H1' H 1 5.67335 0.0 . 1 . . . B 157 G H1' . 25052 2
146 . 2 2 65 65 G H8 H 1 7.99177 0.0 . 1 . . . B 157 G H8 . 25052 2
147 . 2 2 66 66 C H1' H 1 5.70507 0.0 . 1 . . . B 158 C H1' . 25052 2
148 . 2 2 66 66 C H5 H 1 5.26585 0.0 . 1 . . . B 158 C H5 . 25052 2
149 . 2 2 66 66 C H6 H 1 7.747885 0.0 . 1 . . . B 158 C H6 . 25052 2
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