###################################
# 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_ncp7
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode ncp7
_Assigned_chem_shift_list.Entry_ID 4781
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond-1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY' . . . 4781 1
2 '2D TOCSY' . . . 4781 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 . 2 2 3 3 LYS H H 1 8.649 0.02 . 1 . . . . . . . . 4781 1
2 . 2 2 3 3 LYS HA H 1 4.349 0.02 . 1 . . . . . . . . 4781 1
3 . 2 2 3 3 LYS HB2 H 1 1.815 0.02 . 1 . . . . . . . . 4781 1
4 . 2 2 3 3 LYS HB3 H 1 1.815 0.02 . 1 . . . . . . . . 4781 1
5 . 2 2 3 3 LYS HG2 H 1 1.468 0.02 . 1 . . . . . . . . 4781 1
6 . 2 2 3 3 LYS HG3 H 1 1.468 0.02 . 1 . . . . . . . . 4781 1
7 . 2 2 3 3 LYS HD2 H 1 4.695 0.02 . 1 . . . . . . . . 4781 1
8 . 2 2 3 3 LYS HD3 H 1 4.695 0.02 . 1 . . . . . . . . 4781 1
9 . 2 2 3 3 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
10 . 2 2 3 3 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
11 . 2 2 3 3 LYS CA C 13 56.675 0.20 . 1 . . . . . . . . 4781 1
12 . 2 2 3 3 LYS CB C 13 33.182 0.20 . 1 . . . . . . . . 4781 1
13 . 2 2 3 3 LYS CG C 13 24.835 0.20 . 1 . . . . . . . . 4781 1
14 . 2 2 3 3 LYS CD C 13 29.208 0.20 . 1 . . . . . . . . 4781 1
15 . 2 2 3 3 LYS CE C 13 42.026 0.20 . 1 . . . . . . . . 4781 1
16 . 2 2 3 3 LYS N N 15 123.627 0.20 . 1 . . . . . . . . 4781 1
17 . 2 2 4 4 GLY H H 1 8.573 0.02 . 1 . . . . . . . . 4781 1
18 . 2 2 4 4 GLY HA2 H 1 3.903 0.02 . 1 . . . . . . . . 4781 1
19 . 2 2 4 4 GLY HA3 H 1 3.903 0.02 . 1 . . . . . . . . 4781 1
20 . 2 2 4 4 GLY CA C 13 45.482 0.20 . 1 . . . . . . . . 4781 1
21 . 2 2 4 4 GLY N N 15 110.133 0.20 . 1 . . . . . . . . 4781 1
22 . 2 2 5 5 ASN H H 1 8.327 0.02 . 1 . . . . . . . . 4781 1
23 . 2 2 5 5 ASN HA H 1 4.675 0.02 . 1 . . . . . . . . 4781 1
24 . 2 2 5 5 ASN HB2 H 1 2.698 0.02 . 1 . . . . . . . . 4781 1
25 . 2 2 5 5 ASN HB3 H 1 2.698 0.02 . 1 . . . . . . . . 4781 1
26 . 2 2 5 5 ASN HD21 H 1 6.950 0.02 . 1 . . . . . . . . 4781 1
27 . 2 2 5 5 ASN HD22 H 1 7.570 0.02 . 1 . . . . . . . . 4781 1
28 . 2 2 5 5 ASN CA C 13 53.272 0.20 . 1 . . . . . . . . 4781 1
29 . 2 2 5 5 ASN CB C 13 38.875 0.20 . 1 . . . . . . . . 4781 1
30 . 2 2 5 5 ASN N N 15 118.858 0.20 . 1 . . . . . . . . 4781 1
31 . 2 2 5 5 ASN ND2 N 15 113.102 0.20 . 1 . . . . . . . . 4781 1
32 . 2 2 6 6 PHE H H 1 8.248 0.02 . 1 . . . . . . . . 4781 1
33 . 2 2 6 6 PHE HA H 1 4.578 0.02 . 1 . . . . . . . . 4781 1
34 . 2 2 6 6 PHE HB2 H 1 3.017 0.02 . 1 . . . . . . . . 4781 1
35 . 2 2 6 6 PHE HB3 H 1 3.168 0.02 . 1 . . . . . . . . 4781 1
36 . 2 2 6 6 PHE HD1 H 1 7.226 0.02 . 1 . . . . . . . . 4781 1
37 . 2 2 6 6 PHE HD2 H 1 7.226 0.02 . 1 . . . . . . . . 4781 1
38 . 2 2 6 6 PHE HE1 H 1 7.320 0.02 . 1 . . . . . . . . 4781 1
39 . 2 2 6 6 PHE HE2 H 1 7.320 0.02 . 1 . . . . . . . . 4781 1
40 . 2 2 6 6 PHE HZ H 1 7.255 0.02 . 1 . . . . . . . . 4781 1
41 . 2 2 6 6 PHE CA C 13 57.968 0.20 . 1 . . . . . . . . 4781 1
42 . 2 2 6 6 PHE CB C 13 38.771 0.20 . 1 . . . . . . . . 4781 1
43 . 2 2 6 6 PHE CD1 C 13 131.594 0.20 . 1 . . . . . . . . 4781 1
44 . 2 2 6 6 PHE CD2 C 13 131.594 0.20 . 1 . . . . . . . . 4781 1
45 . 2 2 6 6 PHE CE1 C 13 130.918 0.20 . 1 . . . . . . . . 4781 1
46 . 2 2 6 6 PHE CE2 C 13 130.918 0.20 . 1 . . . . . . . . 4781 1
47 . 2 2 6 6 PHE CZ C 13 129.374 0.20 . 1 . . . . . . . . 4781 1
48 . 2 2 6 6 PHE N N 15 120.257 0.20 . 1 . . . . . . . . 4781 1
49 . 2 2 7 7 ARG H H 1 8.197 0.02 . 1 . . . . . . . . 4781 1
50 . 2 2 7 7 ARG HA H 1 4.224 0.02 . 1 . . . . . . . . 4781 1
51 . 2 2 7 7 ARG HB2 H 1 1.766 0.02 . 1 . . . . . . . . 4781 1
52 . 2 2 7 7 ARG HB3 H 1 1.766 0.02 . 1 . . . . . . . . 4781 1
53 . 2 2 7 7 ARG HG2 H 1 1.545 0.02 . 1 . . . . . . . . 4781 1
54 . 2 2 7 7 ARG HG3 H 1 1.545 0.02 . 1 . . . . . . . . 4781 1
55 . 2 2 7 7 ARG HD2 H 1 3.181 0.02 . 1 . . . . . . . . 4781 1
56 . 2 2 7 7 ARG HD3 H 1 3.181 0.02 . 1 . . . . . . . . 4781 1
57 . 2 2 7 7 ARG CA C 13 56.666 0.20 . 1 . . . . . . . . 4781 1
58 . 2 2 7 7 ARG CB C 13 30.747 0.20 . 1 . . . . . . . . 4781 1
59 . 2 2 7 7 ARG CG C 13 27.161 0.20 . 1 . . . . . . . . 4781 1
60 . 2 2 7 7 ARG CD C 13 43.333 0.20 . 1 . . . . . . . . 4781 1
61 . 2 2 7 7 ARG N N 15 121.920 0.20 . 1 . . . . . . . . 4781 1
62 . 2 2 8 8 ASN H H 1 8.445 0.02 . 1 . . . . . . . . 4781 1
63 . 2 2 8 8 ASN HA H 1 4.676 0.02 . 1 . . . . . . . . 4781 1
64 . 2 2 8 8 ASN HB2 H 1 2.792 0.02 . 1 . . . . . . . . 4781 1
65 . 2 2 8 8 ASN HB3 H 1 2.792 0.02 . 1 . . . . . . . . 4781 1
66 . 2 2 8 8 ASN HD21 H 1 7.074 0.02 . 1 . . . . . . . . 4781 1
67 . 2 2 8 8 ASN HD22 H 1 7.717 0.02 . 1 . . . . . . . . 4781 1
68 . 2 2 8 8 ASN CA C 13 53.576 0.20 . 1 . . . . . . . . 4781 1
69 . 2 2 8 8 ASN CB C 13 38.626 0.20 . 1 . . . . . . . . 4781 1
70 . 2 2 8 8 ASN N N 15 119.246 0.20 . 1 . . . . . . . . 4781 1
71 . 2 2 8 8 ASN ND2 N 15 113.303 0.20 . 1 . . . . . . . . 4781 1
72 . 2 2 9 9 GLN H H 1 8.278 0.02 . 1 . . . . . . . . 4781 1
73 . 2 2 9 9 GLN HA H 1 4.290 0.02 . 1 . . . . . . . . 4781 1
74 . 2 2 9 9 GLN HB2 H 1 1.965 0.02 . 1 . . . . . . . . 4781 1
75 . 2 2 9 9 GLN HB3 H 1 1.965 0.02 . 1 . . . . . . . . 4781 1
76 . 2 2 9 9 GLN HG2 H 1 2.342 0.02 . 1 . . . . . . . . 4781 1
77 . 2 2 9 9 GLN HG3 H 1 2.342 0.02 . 1 . . . . . . . . 4781 1
78 . 2 2 9 9 GLN HE21 H 1 6.870 0.02 . 1 . . . . . . . . 4781 1
79 . 2 2 9 9 GLN HE22 H 1 7.539 0.02 . 1 . . . . . . . . 4781 1
80 . 2 2 9 9 GLN CA C 13 56.062 0.20 . 1 . . . . . . . . 4781 1
81 . 2 2 9 9 GLN CB C 13 29.469 0.20 . 1 . . . . . . . . 4781 1
82 . 2 2 9 9 GLN CG C 13 33.912 0.20 . 1 . . . . . . . . 4781 1
83 . 2 2 9 9 GLN N N 15 120.277 0.20 . 1 . . . . . . . . 4781 1
84 . 2 2 9 9 GLN NE2 N 15 112.564 0.20 . 1 . . . . . . . . 4781 1
85 . 2 2 10 10 ARG H H 1 8.249 0.02 . 1 . . . . . . . . 4781 1
86 . 2 2 10 10 ARG HA H 1 4.228 0.02 . 1 . . . . . . . . 4781 1
87 . 2 2 10 10 ARG HB2 H 1 1.764 0.02 . 1 . . . . . . . . 4781 1
88 . 2 2 10 10 ARG HB3 H 1 1.764 0.02 . 1 . . . . . . . . 4781 1
89 . 2 2 10 10 ARG HG2 H 1 1.588 0.02 . 1 . . . . . . . . 4781 1
90 . 2 2 10 10 ARG HG3 H 1 1.588 0.02 . 1 . . . . . . . . 4781 1
91 . 2 2 10 10 ARG HD2 H 1 3.179 0.02 . 1 . . . . . . . . 4781 1
92 . 2 2 10 10 ARG HD3 H 1 3.179 0.02 . 1 . . . . . . . . 4781 1
93 . 2 2 10 10 ARG CA C 13 56.923 0.20 . 1 . . . . . . . . 4781 1
94 . 2 2 10 10 ARG CB C 13 30.785 0.20 . 1 . . . . . . . . 4781 1
95 . 2 2 10 10 ARG CG C 13 27.204 0.20 . 1 . . . . . . . . 4781 1
96 . 2 2 10 10 ARG CD C 13 43.454 0.20 . 1 . . . . . . . . 4781 1
97 . 2 2 10 10 ARG N N 15 121.477 0.20 . 1 . . . . . . . . 4781 1
98 . 2 2 11 11 LYS HA H 1 4.290 0.02 . 1 . . . . . . . . 4781 1
99 . 2 2 11 11 LYS HB2 H 1 1.752 0.02 . 1 . . . . . . . . 4781 1
100 . 2 2 11 11 LYS HB3 H 1 1.752 0.02 . 1 . . . . . . . . 4781 1
101 . 2 2 11 11 LYS HG2 H 1 1.348 0.02 . 1 . . . . . . . . 4781 1
102 . 2 2 11 11 LYS HG3 H 1 1.348 0.02 . 1 . . . . . . . . 4781 1
103 . 2 2 11 11 LYS HD2 H 1 1.646 0.02 . 1 . . . . . . . . 4781 1
104 . 2 2 11 11 LYS HD3 H 1 1.646 0.02 . 1 . . . . . . . . 4781 1
105 . 2 2 11 11 LYS HE2 H 1 2.939 0.02 . 1 . . . . . . . . 4781 1
106 . 2 2 11 11 LYS HE3 H 1 2.939 0.02 . 1 . . . . . . . . 4781 1
107 . 2 2 11 11 LYS CA C 13 56.112 0.20 . 1 . . . . . . . . 4781 1
108 . 2 2 11 11 LYS CB C 13 33.085 0.20 . 1 . . . . . . . . 4781 1
109 . 2 2 11 11 LYS CG C 13 24.904 0.20 . 1 . . . . . . . . 4781 1
110 . 2 2 11 11 LYS CD C 13 29.251 0.20 . 1 . . . . . . . . 4781 1
111 . 2 2 11 11 LYS CE C 13 42.292 0.20 . 1 . . . . . . . . 4781 1
112 . 2 2 12 12 THR H H 1 7.909 0.02 . 1 . . . . . . . . 4781 1
113 . 2 2 12 12 THR HA H 1 4.199 0.02 . 1 . . . . . . . . 4781 1
114 . 2 2 12 12 THR HB H 1 4.058 0.02 . 1 . . . . . . . . 4781 1
115 . 2 2 12 12 THR HG21 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1
116 . 2 2 12 12 THR HG22 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1
117 . 2 2 12 12 THR HG23 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1
118 . 2 2 12 12 THR CA C 13 61.535 0.20 . 1 . . . . . . . . 4781 1
119 . 2 2 12 12 THR CB C 13 629.206 0.20 . 1 . . . . . . . . 4781 1
120 . 2 2 12 12 THR CG2 C 13 21.73 0.20 . 1 . . . . . . . . 4781 1
121 . 2 2 12 12 THR N N 15 114.428 0.20 . 1 . . . . . . . . 4781 1
122 . 2 2 13 13 VAL H H 1 7.958 0.02 . 1 . . . . . . . . 4781 1
123 . 2 2 13 13 VAL HA H 1 3.906 0.02 . 1 . . . . . . . . 4781 1
124 . 2 2 13 13 VAL HB H 1 1.676 0.02 . 1 . . . . . . . . 4781 1
125 . 2 2 13 13 VAL HG11 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1
126 . 2 2 13 13 VAL HG12 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1
127 . 2 2 13 13 VAL HG13 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1
128 . 2 2 13 13 VAL HG21 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1
129 . 2 2 13 13 VAL HG22 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1
130 . 2 2 13 13 VAL HG23 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1
131 . 2 2 13 13 VAL CA C 13 61.267 0.20 . 1 . . . . . . . . 4781 1
132 . 2 2 13 13 VAL CB C 13 33.254 0.20 . 1 . . . . . . . . 4781 1
133 . 2 2 13 13 VAL CG1 C 13 20.030 0.20 . 1 . . . . . . . . 4781 1
134 . 2 2 13 13 VAL CG2 C 13 20.669 0.20 . 1 . . . . . . . . 4781 1
135 . 2 2 13 13 VAL N N 15 123.800 0.20 . 1 . . . . . . . . 4781 1
136 . 2 2 14 14 LYS H H 1 8.250 0.02 . 1 . . . . . . . . 4781 1
137 . 2 2 14 14 LYS HA H 1 4.213 0.02 . 1 . . . . . . . . 4781 1
138 . 2 2 14 14 LYS HB2 H 1 1.282 0.02 . 1 . . . . . . . . 4781 1
139 . 2 2 14 14 LYS HB3 H 1 1.282 0.02 . 1 . . . . . . . . 4781 1
140 . 2 2 14 14 LYS HG2 H 1 0.712 0.02 . 1 . . . . . . . . 4781 1
141 . 2 2 14 14 LYS HG3 H 1 0.712 0.02 . 1 . . . . . . . . 4781 1
142 . 2 2 14 14 LYS HD2 H 1 1.249 0.02 . 1 . . . . . . . . 4781 1
143 . 2 2 14 14 LYS HD3 H 1 1.249 0.02 . 1 . . . . . . . . 4781 1
144 . 2 2 14 14 LYS CA C 13 54.538 0.20 . 1 . . . . . . . . 4781 1
145 . 2 2 14 14 LYS CB C 13 34.577 0.20 . 1 . . . . . . . . 4781 1
146 . 2 2 14 14 LYS CG C 13 24.354 0.20 . 1 . . . . . . . . 4781 1
147 . 2 2 14 14 LYS CD C 13 29.436 0.20 . 1 . . . . . . . . 4781 1
148 . 2 2 14 14 LYS N N 15 125.503 0.20 . 1 . . . . . . . . 4781 1
149 . 2 2 15 15 CYS H H 1 8.373 0.02 . 1 . . . . . . . . 4781 1
150 . 2 2 15 15 CYS HA H 1 4.237 0.02 . 1 . . . . . . . . 4781 1
151 . 2 2 15 15 CYS HB2 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1
152 . 2 2 15 15 CYS HB3 H 1 2.550 0.02 . 1 . . . . . . . . 4781 1
153 . 2 2 15 15 CYS CA C 13 59.224 0.20 . 1 . . . . . . . . 4781 1
154 . 2 2 15 15 CYS CB C 13 30.358 0.20 . 1 . . . . . . . . 4781 1
155 . 2 2 15 15 CYS N N 15 129.259 0.20 . 1 . . . . . . . . 4781 1
156 . 2 2 16 16 PHE H H 1 9.198 0.02 . 1 . . . . . . . . 4781 1
157 . 2 2 16 16 PHE HA H 1 5.062 0.02 . 1 . . . . . . . . 4781 1
158 . 2 2 16 16 PHE HB2 H 1 2.557 0.02 . 1 . . . . . . . . 4781 1
159 . 2 2 16 16 PHE HB3 H 1 3.521 0.02 . 1 . . . . . . . . 4781 1
160 . 2 2 16 16 PHE HD2 H 1 6.642 0.02 . 1 . . . . . . . . 4781 1
161 . 2 2 16 16 PHE HE2 H 1 6.588 0.02 . 1 . . . . . . . . 4781 1
162 . 2 2 16 16 PHE HZ H 1 5.832 0.02 . 1 . . . . . . . . 4781 1
163 . 2 2 16 16 PHE CA C 13 54.436 0.20 . 1 . . . . . . . . 4781 1
164 . 2 2 16 16 PHE CB C 13 36.390 0.20 . 1 . . . . . . . . 4781 1
165 . 2 2 16 16 PHE CD1 C 13 129.068 0.20 . 1 . . . . . . . . 4781 1
166 . 2 2 16 16 PHE CD2 C 13 129.068 0.20 . 1 . . . . . . . . 4781 1
167 . 2 2 16 16 PHE CE1 C 13 130.027 0.20 . 1 . . . . . . . . 4781 1
168 . 2 2 16 16 PHE CE2 C 13 130.027 0.20 . 1 . . . . . . . . 4781 1
169 . 2 2 16 16 PHE CZ C 13 128.929 0.20 . 1 . . . . . . . . 4781 1
170 . 2 2 16 16 PHE N N 15 127.657 0.20 . 1 . . . . . . . . 4781 1
171 . 2 2 17 17 ASN H H 1 10.123 0.02 . 1 . . . . . . . . 4781 1
172 . 2 2 17 17 ASN HA H 1 5.257 0.02 . 1 . . . . . . . . 4781 1
173 . 2 2 17 17 ASN HB2 H 1 2.621 0.02 . 1 . . . . . . . . 4781 1
174 . 2 2 17 17 ASN HB3 H 1 3.240 0.02 . 1 . . . . . . . . 4781 1
175 . 2 2 17 17 ASN HD21 H 1 6.829 0.02 . 1 . . . . . . . . 4781 1
176 . 2 2 17 17 ASN HD22 H 1 8.817 0.02 . 1 . . . . . . . . 4781 1
177 . 2 2 17 17 ASN CA C 13 56.858 0.20 . 1 . . . . . . . . 4781 1
178 . 2 2 17 17 ASN CB C 13 40.615 0.20 . 1 . . . . . . . . 4781 1
179 . 2 2 17 17 ASN N N 15 122.178 0.20 . 1 . . . . . . . . 4781 1
180 . 2 2 17 17 ASN ND2 N 15 118.711 0.20 . 1 . . . . . . . . 4781 1
181 . 2 2 18 18 CYS H H 1 8.764 0.02 . 1 . . . . . . . . 4781 1
182 . 2 2 18 18 CYS HA H 1 4.887 0.02 . 1 . . . . . . . . 4781 1
183 . 2 2 18 18 CYS HB2 H 1 2.543 0.02 . 1 . . . . . . . . 4781 1
184 . 2 2 18 18 CYS HB3 H 1 3.233 0.02 . 1 . . . . . . . . 4781 1
185 . 2 2 18 18 CYS CA C 13 58.568 0.20 . 1 . . . . . . . . 4781 1
186 . 2 2 18 18 CYS CB C 13 32.434 0.20 . 1 . . . . . . . . 4781 1
187 . 2 2 18 18 CYS N N 15 117.322 0.20 . 1 . . . . . . . . 4781 1
188 . 2 2 19 19 GLY H H 1 7.317 0.02 . 1 . . . . . . . . 4781 1
189 . 2 2 19 19 GLY HA2 H 1 2.208 0.02 . 1 . . . . . . . . 4781 1
190 . 2 2 19 19 GLY HA3 H 1 2.813 0.02 . 1 . . . . . . . . 4781 1
191 . 2 2 19 19 GLY CA C 13 45.053 0.20 . 1 . . . . . . . . 4781 1
192 . 2 2 19 19 GLY N N 15 114.627 0.20 . 1 . . . . . . . . 4781 1
193 . 2 2 20 20 LYS H H 1 7.918 0.02 . 1 . . . . . . . . 4781 1
194 . 2 2 20 20 LYS HA H 1 4.295 0.02 . 1 . . . . . . . . 4781 1
195 . 2 2 20 20 LYS HB2 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1
196 . 2 2 20 20 LYS HB3 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1
197 . 2 2 20 20 LYS HG2 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1
198 . 2 2 20 20 LYS HG3 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1
199 . 2 2 20 20 LYS HD2 H 1 1.595 0.02 . 1 . . . . . . . . 4781 1
200 . 2 2 20 20 LYS HD3 H 1 1.595 0.02 . 1 . . . . . . . . 4781 1
201 . 2 2 20 20 LYS HE2 H 1 2.979 0.02 . 1 . . . . . . . . 4781 1
202 . 2 2 20 20 LYS HE3 H 1 2.979 0.02 . 1 . . . . . . . . 4781 1
203 . 2 2 20 20 LYS CA C 13 55.374 0.20 . 1 . . . . . . . . 4781 1
204 . 2 2 20 20 LYS CB C 13 33.306 0.20 . 1 . . . . . . . . 4781 1
205 . 2 2 20 20 LYS CG C 13 25.697 0.20 . 1 . . . . . . . . 4781 1
206 . 2 2 20 20 LYS CD C 13 28.575 0.20 . 1 . . . . . . . . 4781 1
207 . 2 2 20 20 LYS CE C 13 42.279 0.20 . 1 . . . . . . . . 4781 1
208 . 2 2 20 20 LYS N N 15 120.796 0.20 . 1 . . . . . . . . 4781 1
209 . 2 2 21 21 GLU H H 1 8.131 0.02 . 1 . . . . . . . . 4781 1
210 . 2 2 21 21 GLU HA H 1 4.672 0.02 . 1 . . . . . . . . 4781 1
211 . 2 2 21 21 GLU HB2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
212 . 2 2 21 21 GLU HB3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
213 . 2 2 21 21 GLU HG2 H 1 2.066 0.02 . 1 . . . . . . . . 4781 1
214 . 2 2 21 21 GLU HG3 H 1 2.066 0.02 . 1 . . . . . . . . 4781 1
215 . 2 2 21 21 GLU CA C 13 55.824 0.20 . 1 . . . . . . . . 4781 1
216 . 2 2 21 21 GLU CB C 13 31.250 0.20 . 1 . . . . . . . . 4781 1
217 . 2 2 21 21 GLU CG C 13 36.732 0.20 . 1 . . . . . . . . 4781 1
218 . 2 2 21 21 GLU N N 15 117.424 0.20 . 1 . . . . . . . . 4781 1
219 . 2 2 22 22 GLY H H 1 8.930 0.02 . 1 . . . . . . . . 4781 1
220 . 2 2 22 22 GLY HA2 H 1 3.654 0.02 . 1 . . . . . . . . 4781 1
221 . 2 2 22 22 GLY HA3 H 1 4.404 0.02 . 1 . . . . . . . . 4781 1
222 . 2 2 22 22 GLY CA C 13 45.730 0.20 . 1 . . . . . . . . 4781 1
223 . 2 2 22 22 GLY N N 15 107.257 0.20 . 1 . . . . . . . . 4781 1
224 . 2 2 23 23 HIS H H 1 7.078 0.02 . 1 . . . . . . . . 4781 1
225 . 2 2 23 23 HIS HA H 1 4.584 0.02 . 1 . . . . . . . . 4781 1
226 . 2 2 23 23 HIS HB2 H 1 3.065 0.02 . 1 . . . . . . . . 4781 1
227 . 2 2 23 23 HIS HB3 H 1 3.065 0.02 . 1 . . . . . . . . 4781 1
228 . 2 2 23 23 HIS HD2 H 1 6.873 0.02 . 1 . . . . . . . . 4781 1
229 . 2 2 23 23 HIS HE1 H 1 7.253 0.02 . 1 . . . . . . . . 4781 1
230 . 2 2 23 23 HIS CA C 13 55.141 0.20 . 1 . . . . . . . . 4781 1
231 . 2 2 23 23 HIS CB C 13 29.935 0.20 . 1 . . . . . . . . 4781 1
232 . 2 2 23 23 HIS CD2 C 13 127.398 0.20 . 1 . . . . . . . . 4781 1
233 . 2 2 23 23 HIS CE1 C 13 137.002 0.20 . 1 . . . . . . . . 4781 1
234 . 2 2 23 23 HIS N N 15 114.742 0.20 . 1 . . . . . . . . 4781 1
235 . 2 2 24 24 ILE H H 1 7.571 0.02 . 1 . . . . . . . . 4781 1
236 . 2 2 24 24 ILE HA H 1 4.573 0.02 . 1 . . . . . . . . 4781 1
237 . 2 2 24 24 ILE HB H 1 1.334 0.02 . 1 . . . . . . . . 4781 1
238 . 2 2 24 24 ILE HG12 H 1 0.904 0.02 . 1 . . . . . . . . 4781 1
239 . 2 2 24 24 ILE HG13 H 1 0.904 0.02 . 1 . . . . . . . . 4781 1
240 . 2 2 24 24 ILE HG21 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1
241 . 2 2 24 24 ILE HG22 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1
242 . 2 2 24 24 ILE HG23 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1
243 . 2 2 24 24 ILE HD11 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1
244 . 2 2 24 24 ILE HD12 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1
245 . 2 2 24 24 ILE HD13 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1
246 . 2 2 24 24 ILE CA C 13 59.403 0.20 . 1 . . . . . . . . 4781 1
247 . 2 2 24 24 ILE CB C 13 41.394 0.20 . 1 . . . . . . . . 4781 1
248 . 2 2 24 24 ILE CG1 C 13 25.449 0.20 . 1 . . . . . . . . 4781 1
249 . 2 2 24 24 ILE CG2 C 13 17.892 0.20 . 1 . . . . . . . . 4781 1
250 . 2 2 24 24 ILE CD1 C 13 13.746 0.20 . 1 . . . . . . . . 4781 1
251 . 2 2 24 24 ILE N N 15 105.865 0.20 . 1 . . . . . . . . 4781 1
252 . 2 2 25 25 ALA H H 1 8.941 0.02 . 1 . . . . . . . . 4781 1
253 . 2 2 25 25 ALA HA H 1 4.516 0.02 . 1 . . . . . . . . 4781 1
254 . 2 2 25 25 ALA HB1 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1
255 . 2 2 25 25 ALA HB2 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1
256 . 2 2 25 25 ALA HB3 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1
257 . 2 2 25 25 ALA CA C 13 56.512 0.20 . 1 . . . . . . . . 4781 1
258 . 2 2 25 25 ALA CB C 13 39.146 0.20 . 1 . . . . . . . . 4781 1
259 . 2 2 25 25 ALA N N 15 124.450 0.20 . 1 . . . . . . . . 4781 1
260 . 2 2 26 26 LYS H H 1 8.637 0.02 . 1 . . . . . . . . 4781 1
261 . 2 2 26 26 LYS HA H 1 4.189 0.02 . 1 . . . . . . . . 4781 1
262 . 2 2 26 26 LYS HB2 H 1 1.577 0.02 . 1 . . . . . . . . 4781 1
263 . 2 2 26 26 LYS HB3 H 1 1.866 0.02 . 1 . . . . . . . . 4781 1
264 . 2 2 26 26 LYS HG2 H 1 1.288 0.02 . 1 . . . . . . . . 4781 1
265 . 2 2 26 26 LYS HG3 H 1 1.288 0.02 . 1 . . . . . . . . 4781 1
266 . 2 2 26 26 LYS HD2 H 1 1.662 0.02 . 1 . . . . . . . . 4781 1
267 . 2 2 26 26 LYS HD3 H 1 1.662 0.02 . 1 . . . . . . . . 4781 1
268 . 2 2 26 26 LYS HE2 H 1 2.974 0.02 . 1 . . . . . . . . 4781 1
269 . 2 2 26 26 LYS HE3 H 1 2.974 0.02 . 1 . . . . . . . . 4781 1
270 . 2 2 26 26 LYS CA C 13 58.624 0.20 . 1 . . . . . . . . 4781 1
271 . 2 2 26 26 LYS CB C 13 32.000 0.20 . 1 . . . . . . . . 4781 1
272 . 2 2 26 26 LYS CG C 13 23.765 0.20 . 1 . . . . . . . . 4781 1
273 . 2 2 26 26 LYS CD C 13 29.345 0.20 . 1 . . . . . . . . 4781 1
274 . 2 2 26 26 LYS CE C 13 41.910 0.20 . 1 . . . . . . . . 4781 1
275 . 2 2 26 26 LYS N N 15 117.870 0.20 . 1 . . . . . . . . 4781 1
276 . 2 2 27 27 ASN H H 1 7.964 0.02 . 1 . . . . . . . . 4781 1
277 . 2 2 27 27 ASN HA H 1 5.051 0.02 . 1 . . . . . . . . 4781 1
278 . 2 2 27 27 ASN HB2 H 1 2.464 0.02 . 1 . . . . . . . . 4781 1
279 . 2 2 27 27 ASN HB3 H 1 3.040 0.02 . 1 . . . . . . . . 4781 1
280 . 2 2 27 27 ASN HD21 H 1 7.011 0.02 . 1 . . . . . . . . 4781 1
281 . 2 2 27 27 ASN HD22 H 1 7.954 0.02 . 1 . . . . . . . . 4781 1
282 . 2 2 27 27 ASN CA C 13 52.031 0.20 . 1 . . . . . . . . 4781 1
283 . 2 2 27 27 ASN CB C 13 40.087 0.20 . 1 . . . . . . . . 4781 1
284 . 2 2 27 27 ASN N N 15 114.850 0.20 . 1 . . . . . . . . 4781 1
285 . 2 2 27 27 ASN ND2 N 15 113.560 0.20 . 1 . . . . . . . . 4781 1
286 . 2 2 28 28 CYS H H 1 7.760 0.02 . 1 . . . . . . . . 4781 1
287 . 2 2 28 28 CYS HA H 1 3.752 0.02 . 1 . . . . . . . . 4781 1
288 . 2 2 28 28 CYS HB2 H 1 3.320 0.02 . 1 . . . . . . . . 4781 1
289 . 2 2 28 28 CYS HB3 H 1 3.018 0.02 . 1 . . . . . . . . 4781 1
290 . 2 2 28 28 CYS CA C 13 61.847 0.20 . 2 . . . . . . . . 4781 1
291 . 2 2 28 28 CYS CB C 13 30.962 0.20 . 1 . . . . . . . . 4781 1
292 . 2 2 28 28 CYS N N 15 128.299 0.20 . 1 . . . . . . . . 4781 1
293 . 2 2 29 29 ARG H H 1 8.788 0.02 . 1 . . . . . . . . 4781 1
294 . 2 2 29 29 ARG HA H 1 4.424 0.02 . 1 . . . . . . . . 4781 1
295 . 2 2 29 29 ARG HB2 H 1 1.942 0.02 . 1 . . . . . . . . 4781 1
296 . 2 2 29 29 ARG HB3 H 1 1.520 0.02 . 1 . . . . . . . . 4781 1
297 . 2 2 29 29 ARG HG2 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1
298 . 2 2 29 29 ARG HG3 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1
299 . 2 2 29 29 ARG HD2 H 1 3.031 0.02 . 1 . . . . . . . . 4781 1
300 . 2 2 29 29 ARG HD3 H 1 3.031 0.02 . 1 . . . . . . . . 4781 1
301 . 2 2 29 29 ARG CA C 13 55.668 0.20 . 1 . . . . . . . . 4781 1
302 . 2 2 29 29 ARG CB C 13 30.122 0.20 . 1 . . . . . . . . 4781 1
303 . 2 2 29 29 ARG CG C 13 27.201 0.20 . 1 . . . . . . . . 4781 1
304 . 2 2 29 29 ARG CD C 13 42.956 0.20 . 1 . . . . . . . . 4781 1
305 . 2 2 29 29 ARG N N 15 117.992 0.20 . 1 . . . . . . . . 4781 1
306 . 2 2 30 30 ALA H H 1 8.756 0.02 . 1 . . . . . . . . 4781 1
307 . 2 2 30 30 ALA HA H 1 4.571 0.02 . 1 . . . . . . . . 4781 1
308 . 2 2 30 30 ALA HB1 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1
309 . 2 2 30 30 ALA HB2 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1
310 . 2 2 30 30 ALA HB3 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1
311 . 2 2 30 30 ALA CA C 13 50.973 0.20 . 1 . . . . . . . . 4781 1
312 . 2 2 30 30 ALA CB C 13 38.162 0.20 . 1 . . . . . . . . 4781 1
313 . 2 2 30 30 ALA N N 15 128.123 0.20 . 1 . . . . . . . . 4781 1
314 . 2 2 31 31 PRO HA H 1 4.324 0.02 . 1 . . . . . . . . 4781 1
315 . 2 2 31 31 PRO HB2 H 1 1.792 0.02 . 1 . . . . . . . . 4781 1
316 . 2 2 31 31 PRO HB3 H 1 2.307 0.02 . 1 . . . . . . . . 4781 1
317 . 2 2 31 31 PRO HG2 H 1 2.028 0.02 . 1 . . . . . . . . 4781 1
318 . 2 2 31 31 PRO HG3 H 1 2.028 0.02 . 1 . . . . . . . . 4781 1
319 . 2 2 31 31 PRO HD2 H 1 3.600 0.02 . 1 . . . . . . . . 4781 1
320 . 2 2 31 31 PRO HD3 H 1 3.804 0.02 . 1 . . . . . . . . 4781 1
321 . 2 2 31 31 PRO CA C 13 62.918 0.20 . 1 . . . . . . . . 4781 1
322 . 2 2 31 31 PRO CB C 13 31.862 0.20 . 1 . . . . . . . . 4781 1
323 . 2 2 31 31 PRO CG C 13 27.644 0.20 . 1 . . . . . . . . 4781 1
324 . 2 2 31 31 PRO CD C 13 4.987 0.20 . 1 . . . . . . . . 4781 1
325 . 2 2 32 32 ARG H H 1 6.826 0.02 . 1 . . . . . . . . 4781 1
326 . 2 2 32 32 ARG HA H 1 4.529 0.02 . 1 . . . . . . . . 4781 1
327 . 2 2 32 32 ARG HB2 H 1 1.660 0.02 . 1 . . . . . . . . 4781 1
328 . 2 2 32 32 ARG HB3 H 1 1.660 0.02 . 1 . . . . . . . . 4781 1
329 . 2 2 32 32 ARG HG2 H 1 1.614 0.02 . 1 . . . . . . . . 4781 1
330 . 2 2 32 32 ARG HG3 H 1 1.614 0.02 . 1 . . . . . . . . 4781 1
331 . 2 2 32 32 ARG HD2 H 1 3.230 0.02 . 1 . . . . . . . . 4781 1
332 . 2 2 32 32 ARG HD3 H 1 3.230 0.02 . 1 . . . . . . . . 4781 1
333 . 2 2 32 32 ARG CA C 13 55.666 0.20 . 1 . . . . . . . . 4781 1
334 . 2 2 32 32 ARG CB C 13 29.186 0.20 . 1 . . . . . . . . 4781 1
335 . 2 2 32 32 ARG CG C 13 26.983 0.20 . 1 . . . . . . . . 4781 1
336 . 2 2 32 32 ARG CD C 13 43.087 0.20 . 1 . . . . . . . . 4781 1
337 . 2 2 32 32 ARG N N 15 117.992 0.20 . 1 . . . . . . . . 4781 1
338 . 2 2 33 33 LYS H H 1 8.553 0.02 . 1 . . . . . . . . 4781 1
339 . 2 2 33 33 LYS HA H 1 4.669 0.02 . 1 . . . . . . . . 4781 1
340 . 2 2 33 33 LYS HB2 H 1 1.810 0.02 . 1 . . . . . . . . 4781 1
341 . 2 2 33 33 LYS HB3 H 1 1.810 0.02 . 1 . . . . . . . . 4781 1
342 . 2 2 33 33 LYS HG2 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1
343 . 2 2 33 33 LYS HG3 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1
344 . 2 2 33 33 LYS HD2 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1
345 . 2 2 33 33 LYS HD3 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1
346 . 2 2 33 33 LYS HE2 H 1 2.962 0.02 . 1 . . . . . . . . 4781 1
347 . 2 2 33 33 LYS HE3 H 1 2.962 0.02 . 1 . . . . . . . . 4781 1
348 . 2 2 33 33 LYS CA C 13 55.275 0.20 . 1 . . . . . . . . 4781 1
349 . 2 2 33 33 LYS CB C 13 33.776 0.20 . 1 . . . . . . . . 4781 1
350 . 2 2 33 33 LYS CG C 13 24.407 0.20 . 1 . . . . . . . . 4781 1
351 . 2 2 33 33 LYS CD C 13 29.660 0.20 . 1 . . . . . . . . 4781 1
352 . 2 2 33 33 LYS CE C 13 42.097 0.20 . 1 . . . . . . . . 4781 1
353 . 2 2 33 33 LYS N N 15 126.327 0.20 . 1 . . . . . . . . 4781 1
354 . 2 2 34 34 LYS H H 1 8.692 0.02 . 1 . . . . . . . . 4781 1
355 . 2 2 34 34 LYS HA H 1 4.318 0.02 . 1 . . . . . . . . 4781 1
356 . 2 2 34 34 LYS HB2 H 1 1.749 0.02 . 1 . . . . . . . . 4781 1
357 . 2 2 34 34 LYS HB3 H 1 1.749 0.02 . 1 . . . . . . . . 4781 1
358 . 2 2 34 34 LYS HG2 H 1 1.358 0.02 . 1 . . . . . . . . 4781 1
359 . 2 2 34 34 LYS HG3 H 1 1.358 0.02 . 1 . . . . . . . . 4781 1
360 . 2 2 34 34 LYS HD2 H 1 1.622 0.02 . 1 . . . . . . . . 4781 1
361 . 2 2 34 34 LYS HD3 H 1 1.622 0.02 . 1 . . . . . . . . 4781 1
362 . 2 2 34 34 LYS CA C 13 56.366 0.20 . 1 . . . . . . . . 4781 1
363 . 2 2 34 34 LYS CB C 13 31.881 0.20 . 1 . . . . . . . . 4781 1
364 . 2 2 34 34 LYS CG C 13 24.791 0.20 . 1 . . . . . . . . 4781 1
365 . 2 2 34 34 LYS CD C 13 29.034 0.20 . 1 . . . . . . . . 4781 1
366 . 2 2 34 34 LYS N N 15 121.402 0.20 . 2 . . . . . . . . 4781 1
367 . 2 2 35 35 GLY H H 1 8.405 0.02 . 1 . . . . . . . . 4781 1
368 . 2 2 35 35 GLY HA2 H 1 3.314 0.02 . 1 . . . . . . . . 4781 1
369 . 2 2 35 35 GLY HA3 H 1 3.885 0.02 . 1 . . . . . . . . 4781 1
370 . 2 2 35 35 GLY CA C 13 43.671 0.20 . 1 . . . . . . . . 4781 1
371 . 2 2 35 35 GLY N N 15 126.329 0.20 . 1 . . . . . . . . 4781 1
372 . 2 2 36 36 CYS H H 1 8.420 0.02 . 1 . . . . . . . . 4781 1
373 . 2 2 36 36 CYS HA H 1 4.365 0.02 . 1 . . . . . . . . 4781 1
374 . 2 2 36 36 CYS HB2 H 1 2.832 0.02 . 1 . . . . . . . . 4781 1
375 . 2 2 36 36 CYS HB3 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1
376 . 2 2 36 36 CYS CA C 13 59.541 0.20 . 1 . . . . . . . . 4781 1
377 . 2 2 36 36 CYS CB C 13 30.442 0.20 . 1 . . . . . . . . 4781 1
378 . 2 2 36 36 CYS N N 15 126.389 0.20 . 1 . . . . . . . . 4781 1
379 . 2 2 37 37 TRP H H 1 9.085 0.02 . 1 . . . . . . . . 4781 1
380 . 2 2 37 37 TRP HA H 1 4.581 0.02 . 1 . . . . . . . . 4781 1
381 . 2 2 37 37 TRP HB2 H 1 3.292 0.02 . 1 . . . . . . . . 4781 1
382 . 2 2 37 37 TRP HB3 H 1 3.292 0.02 . 1 . . . . . . . . 4781 1
383 . 2 2 37 37 TRP HD1 H 1 6.851 0.02 . 1 . . . . . . . . 4781 1
384 . 2 2 37 37 TRP HE1 H 1 8.974 0.02 . 1 . . . . . . . . 4781 1
385 . 2 2 37 37 TRP HE3 H 1 7.447 0.02 . 1 . . . . . . . . 4781 1
386 . 2 2 37 37 TRP HZ2 H 1 6.899 0.02 . 1 . . . . . . . . 4781 1
387 . 2 2 37 37 TRP HZ3 H 1 6.729 0.02 . 1 . . . . . . . . 4781 1
388 . 2 2 37 37 TRP HH2 H 1 6.531 0.02 . 1 . . . . . . . . 4781 1
389 . 2 2 37 37 TRP CA C 13 58.225 0.20 . 1 . . . . . . . . 4781 1
390 . 2 2 37 37 TRP CB C 13 29.993 0.20 . 1 . . . . . . . . 4781 1
391 . 2 2 37 37 TRP CD1 C 13 121.638 0.20 . 1 . . . . . . . . 4781 1
392 . 2 2 37 37 TRP CE2 C 13 137.002 0.20 . 1 . . . . . . . . 4781 1
393 . 2 2 37 37 TRP CE3 C 13 119.990 0.20 . 1 . . . . . . . . 4781 1
394 . 2 2 37 37 TRP CZ2 C 13 113.955 0.20 . 1 . . . . . . . . 4781 1
395 . 2 2 37 37 TRP CZ3 C 13 121.081 0.20 . 1 . . . . . . . . 4781 1
396 . 2 2 37 37 TRP CH2 C 13 124.662 0.20 . 1 . . . . . . . . 4781 1
397 . 2 2 37 37 TRP N N 15 130.975 0.20 . 1 . . . . . . . . 4781 1
398 . 2 2 37 37 TRP NE1 N 15 112.242 0.20 . 1 . . . . . . . . 4781 1
399 . 2 2 38 38 LYS H H 1 9.875 0.02 . 1 . . . . . . . . 4781 1
400 . 2 2 38 38 LYS HA H 1 4.482 0.02 . 1 . . . . . . . . 4781 1
401 . 2 2 38 38 LYS HB2 H 1 1.760 0.02 . 1 . . . . . . . . 4781 1
402 . 2 2 38 38 LYS HB3 H 1 2.431 0.02 . 1 . . . . . . . . 4781 1
403 . 2 2 38 38 LYS HG2 H 1 1.384 0.02 . 1 . . . . . . . . 4781 1
404 . 2 2 38 38 LYS HG3 H 1 1.384 0.02 . 1 . . . . . . . . 4781 1
405 . 2 2 38 38 LYS HD2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
406 . 2 2 38 38 LYS HD3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
407 . 2 2 38 38 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
408 . 2 2 38 38 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
409 . 2 2 38 38 LYS CA C 13 57.057 0.20 . 1 . . . . . . . . 4781 1
410 . 2 2 38 38 LYS CB C 13 33.570 0.20 . 1 . . . . . . . . 4781 1
411 . 2 2 38 38 LYS CG C 13 26.093 0.20 . 1 . . . . . . . . 4781 1
412 . 2 2 38 38 LYS CD C 13 29.187 0.20 . 1 . . . . . . . . 4781 1
413 . 2 2 38 38 LYS CE C 13 42.334 0.20 . 1 . . . . . . . . 4781 1
414 . 2 2 38 38 LYS N N 15 122.228 0.20 . 1 . . . . . . . . 4781 1
415 . 2 2 39 39 CYS H H 1 8.760 0.02 . 1 . . . . . . . . 4781 1
416 . 2 2 39 39 CYS HA H 1 5.011 0.02 . 1 . . . . . . . . 4781 1
417 . 2 2 39 39 CYS HB2 H 1 2.555 0.02 . 1 . . . . . . . . 4781 1
418 . 2 2 39 39 CYS HB3 H 1 3.242 0.02 . 1 . . . . . . . . 4781 1
419 . 2 2 39 39 CYS HG H 1 2.071 0.02 . 1 . . . . . . . . 4781 1
420 . 2 2 39 39 CYS CA C 13 58.819 0.20 . 1 . . . . . . . . 4781 1
421 . 2 2 39 39 CYS CB C 13 32.479 0.20 . 1 . . . . . . . . 4781 1
422 . 2 2 39 39 CYS N N 15 118.176 0.20 . 1 . . . . . . . . 4781 1
423 . 2 2 40 40 GLY H H 1 8.175 0.02 . 1 . . . . . . . . 4781 1
424 . 2 2 40 40 GLY HA2 H 1 3.898 0.02 . 1 . . . . . . . . 4781 1
425 . 2 2 40 40 GLY HA3 H 1 4.197 0.02 . 1 . . . . . . . . 4781 1
426 . 2 2 40 40 GLY CA C 13 46.209 0.20 . 1 . . . . . . . . 4781 1
427 . 2 2 40 40 GLY N N 15 113.942 0.20 . 1 . . . . . . . . 4781 1
428 . 2 2 41 41 LYS H H 1 8.386 0.02 . 1 . . . . . . . . 4781 1
429 . 2 2 41 41 LYS HA H 1 4.286 0.02 . 1 . . . . . . . . 4781 1
430 . 2 2 41 41 LYS HB2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
431 . 2 2 41 41 LYS HB3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1
432 . 2 2 41 41 LYS HG2 H 1 1.482 0.02 . 1 . . . . . . . . 4781 1
433 . 2 2 41 41 LYS HG3 H 1 1.671 0.02 . 1 . . . . . . . . 4781 1
434 . 2 2 41 41 LYS HD2 H 1 1.740 0.02 . 1 . . . . . . . . 4781 1
435 . 2 2 41 41 LYS HD3 H 1 1.740 0.02 . 1 . . . . . . . . 4781 1
436 . 2 2 41 41 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
437 . 2 2 41 41 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1
438 . 2 2 41 41 LYS CA C 13 57.057 0.20 . 1 . . . . . . . . 4781 1
439 . 2 2 41 41 LYS CB C 13 33.570 0.20 . 1 . . . . . . . . 4781 1
440 . 2 2 41 41 LYS CG C 13 26.093 0.20 . 1 . . . . . . . . 4781 1
441 . 2 2 41 41 LYS CD C 13 29.187 0.20 . 1 . . . . . . . . 4781 1
442 . 2 2 41 41 LYS CE C 13 42.334 0.20 . 1 . . . . . . . . 4781 1
443 . 2 2 41 41 LYS N N 15 122.228 0.20 . 1 . . . . . . . . 4781 1
444 . 2 2 42 42 GLU H H 1 8.570 0.02 . 1 . . . . . . . . 4781 1
445 . 2 2 42 42 GLU HA H 1 4.199 0.02 . 1 . . . . . . . . 4781 1
446 . 2 2 42 42 GLU HB2 H 1 1.875 0.02 . 1 . . . . . . . . 4781 1
447 . 2 2 42 42 GLU HB3 H 1 1.875 0.02 . 1 . . . . . . . . 4781 1
448 . 2 2 42 42 GLU HG2 H 1 2.071 0.02 . 1 . . . . . . . . 4781 1
449 . 2 2 42 42 GLU HG3 H 1 2.256 0.02 . 1 . . . . . . . . 4781 1
450 . 2 2 42 42 GLU CA C 13 56.672 0.20 . 1 . . . . . . . . 4781 1
451 . 2 2 42 42 GLU CB C 13 30.646 0.20 . 1 . . . . . . . . 4781 1
452 . 2 2 42 42 GLU CG C 13 37.230 0.20 . 1 . . . . . . . . 4781 1
453 . 2 2 42 42 GLU N N 15 119.335 0.20 . 1 . . . . . . . . 4781 1
454 . 2 2 43 43 GLY H H 1 8.770 0.02 . 1 . . . . . . . . 4781 1
455 . 2 2 43 43 GLY HA2 H 1 3.623 0.02 . 1 . . . . . . . . 4781 1
456 . 2 2 43 43 GLY HA3 H 1 4.320 0.02 . 1 . . . . . . . . 4781 1
457 . 2 2 43 43 GLY CA C 13 45.438 0.20 . 1 . . . . . . . . 4781 1
458 . 2 2 43 43 GLY N N 15 108.036 0.20 . 1 . . . . . . . . 4781 1
459 . 2 2 44 44 HIS H H 1 7.051 0.02 . 1 . . . . . . . . 4781 1
460 . 2 2 44 44 HIS HA H 1 4.656 0.02 . 1 . . . . . . . . 4781 1
461 . 2 2 44 44 HIS HB2 H 1 3.124 0.02 . 1 . . . . . . . . 4781 1
462 . 2 2 44 44 HIS HB3 H 1 3.124 0.02 . 1 . . . . . . . . 4781 1
463 . 2 2 44 44 HIS HD2 H 1 6.921 0.02 . 1 . . . . . . . . 4781 1
464 . 2 2 44 44 HIS HE1 H 1 7.456 0.02 . 1 . . . . . . . . 4781 1
465 . 2 2 44 44 HIS CA C 13 55.640 0.20 . 1 . . . . . . . . 4781 1
466 . 2 2 44 44 HIS CB C 13 30.276 0.20 . 1 . . . . . . . . 4781 1
467 . 2 2 44 44 HIS CD2 C 13 127.110 0.20 . 1 . . . . . . . . 4781 1
468 . 2 2 44 44 HIS CE1 C 13 137.448 0.20 . 1 . . . . . . . . 4781 1
469 . 2 2 44 44 HIS N N 15 112.395 0.20 . 1 . . . . . . . . 4781 1
470 . 2 2 45 45 GLN H H 1 8.740 0.02 . 1 . . . . . . . . 4781 1
471 . 2 2 45 45 GLN HA H 1 4.264 0.02 . 1 . . . . . . . . 4781 1
472 . 2 2 45 45 GLN HB2 H 1 1.871 0.02 . 1 . . . . . . . . 4781 1
473 . 2 2 45 45 GLN HB3 H 1 1.579 0.02 . 1 . . . . . . . . 4781 1
474 . 2 2 45 45 GLN HG2 H 1 1.124 0.02 . 1 . . . . . . . . 4781 1
475 . 2 2 45 45 GLN HG3 H 1 1.124 0.02 . 1 . . . . . . . . 4781 1
476 . 2 2 45 45 GLN HE21 H 1 6.221 0.02 . 1 . . . . . . . . 4781 1
477 . 2 2 45 45 GLN HE22 H 1 6.755 0.02 . 1 . . . . . . . . 4781 1
478 . 2 2 45 45 GLN CA C 13 53.897 0.20 . 1 . . . . . . . . 4781 1
479 . 2 2 45 45 GLN CB C 13 31.105 0.20 . 1 . . . . . . . . 4781 1
480 . 2 2 45 45 GLN CG C 13 33.928 0.20 . 1 . . . . . . . . 4781 1
481 . 2 2 45 45 GLN N N 15 117.714 0.20 . 1 . . . . . . . . 4781 1
482 . 2 2 45 45 GLN NE2 N 15 110.778 0.20 . 1 . . . . . . . . 4781 1
483 . 2 2 46 46 MET H H 1 9.499 0.02 . 1 . . . . . . . . 4781 1
484 . 2 2 46 46 MET HA H 1 4.677 0.02 . 1 . . . . . . . . 4781 1
485 . 2 2 46 46 MET HB2 H 1 2.366 0.02 . 1 . . . . . . . . 4781 1
486 . 2 2 46 46 MET HB3 H 1 2.366 0.02 . 1 . . . . . . . . 4781 1
487 . 2 2 46 46 MET HG2 H 1 2.373 0.02 . 1 . . . . . . . . 4781 1
488 . 2 2 46 46 MET HG3 H 1 2.745 0.02 . 1 . . . . . . . . 4781 1
489 . 2 2 46 46 MET HE1 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1
490 . 2 2 46 46 MET HE2 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1
491 . 2 2 46 46 MET HE3 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1
492 . 2 2 46 46 MET CA C 13 60.783 0.20 . 1 . . . . . . . . 4781 1
493 . 2 2 46 46 MET CB C 13 32.520 0.20 . 1 . . . . . . . . 4781 1
494 . 2 2 46 46 MET CG C 13 32.538 0.20 . 1 . . . . . . . . 4781 1
495 . 2 2 46 46 MET CE C 13 17.989 0.20 . 1 . . . . . . . . 4781 1
496 . 2 2 46 46 MET N N 15 123.487 0.20 . 1 . . . . . . . . 4781 1
497 . 2 2 47 47 LYS H H 1 8.980 0.02 . 1 . . . . . . . . 4781 1
498 . 2 2 47 47 LYS HA H 1 4.142 0.02 . 1 . . . . . . . . 4781 1
499 . 2 2 47 47 LYS HB2 H 1 1.763 0.02 . 1 . . . . . . . . 4781 1
500 . 2 2 47 47 LYS HB3 H 1 1.763 0.02 . 1 . . . . . . . . 4781 1
501 . 2 2 47 47 LYS HG2 H 1 1.255 0.02 . 1 . . . . . . . . 4781 1
502 . 2 2 47 47 LYS HG3 H 1 1.255 0.02 . 1 . . . . . . . . 4781 1
503 . 2 2 47 47 LYS HD2 H 1 1.651 0.02 . 1 . . . . . . . . 4781 1
504 . 2 2 47 47 LYS HD3 H 1 1.651 0.02 . 1 . . . . . . . . 4781 1
505 . 2 2 47 47 LYS HE2 H 1 2.972 0.02 . 1 . . . . . . . . 4781 1
506 . 2 2 47 47 LYS HE3 H 1 2.972 0.02 . 1 . . . . . . . . 4781 1
507 . 2 2 47 47 LYS CA C 13 58.712 0.20 . 1 . . . . . . . . 4781 1
508 . 2 2 47 47 LYS CB C 13 31.341 0.20 . 1 . . . . . . . . 4781 1
509 . 2 2 47 47 LYS CG C 13 23.473 0.20 . 1 . . . . . . . . 4781 1
510 . 2 2 47 47 LYS CD C 13 29.087 0.20 . 1 . . . . . . . . 4781 1
511 . 2 2 47 47 LYS CE C 13 41.752 0.20 . 1 . . . . . . . . 4781 1
512 . 2 2 47 47 LYS N N 15 119.117 0.20 . 1 . . . . . . . . 4781 1
513 . 2 2 48 48 ASP H H 1 7.916 0.02 . 1 . . . . . . . . 4781 1
514 . 2 2 48 48 ASP HA H 1 4.901 0.02 . 1 . . . . . . . . 4781 1
515 . 2 2 48 48 ASP HB2 H 1 2.921 0.02 . 1 . . . . . . . . 4781 1
516 . 2 2 48 48 ASP HB3 H 1 2.458 0.02 . 1 . . . . . . . . 4781 1
517 . 2 2 48 48 ASP CA C 13 53.571 0.20 . 1 . . . . . . . . 4781 1
518 . 2 2 48 48 ASP CB C 13 42.910 0.20 . 1 . . . . . . . . 4781 1
519 . 2 2 48 48 ASP N N 15 117.588 0.20 . 1 . . . . . . . . 4781 1
520 . 2 2 49 49 CYS H H 1 7.735 0.02 . 1 . . . . . . . . 4781 1
521 . 2 2 49 49 CYS HA H 1 3.722 0.02 . 1 . . . . . . . . 4781 1
522 . 2 2 49 49 CYS HB2 H 1 3.328 0.02 . 1 . . . . . . . . 4781 1
523 . 2 2 49 49 CYS HB3 H 1 2.953 0.02 . 1 . . . . . . . . 4781 1
524 . 2 2 49 49 CYS CA C 13 42.952 0.20 . 1 . . . . . . . . 4781 1
525 . 2 2 49 49 CYS CB C 13 30.923 0.20 . 1 . . . . . . . . 4781 1
526 . 2 2 49 49 CYS N N 15 124.318 0.20 . 1 . . . . . . . . 4781 1
527 . 2 2 50 50 THR H H 1 8.153 0.02 . 1 . . . . . . . . 4781 1
528 . 2 2 50 50 THR HA H 1 4.381 0.02 . 1 . . . . . . . . 4781 1
529 . 2 2 50 50 THR HB H 1 4.441 0.02 . 1 . . . . . . . . 4781 1
530 . 2 2 50 50 THR HG21 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1
531 . 2 2 50 50 THR HG22 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1
532 . 2 2 50 50 THR HG23 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1
533 . 2 2 50 50 THR CA C 13 61.712 0.20 . 1 . . . . . . . . 4781 1
534 . 2 2 50 50 THR CB C 13 49.285 0.20 . 1 . . . . . . . . 4781 1
535 . 2 2 50 50 THR CG2 C 13 21.354 0.20 . 1 . . . . . . . . 4781 1
536 . 2 2 50 50 THR N N 15 120.114 0.20 . 1 . . . . . . . . 4781 1
537 . 2 2 51 51 GLU H H 1 8.788 0.02 . 1 . . . . . . . . 4781 1
538 . 2 2 51 51 GLU HA H 1 4.219 0.02 . 1 . . . . . . . . 4781 1
539 . 2 2 51 51 GLU HB2 H 1 1.991 0.02 . 1 . . . . . . . . 4781 1
540 . 2 2 51 51 GLU HB3 H 1 1.991 0.02 . 1 . . . . . . . . 4781 1
541 . 2 2 51 51 GLU HG2 H 1 2.264 0.02 . 1 . . . . . . . . 4781 1
542 . 2 2 51 51 GLU HG3 H 1 2.449 0.02 . 1 . . . . . . . . 4781 1
543 . 2 2 51 51 GLU CA C 13 56.907 0.20 . 1 . . . . . . . . 4781 1
544 . 2 2 51 51 GLU CB C 13 29.849 0.20 . 1 . . . . . . . . 4781 1
545 . 2 2 51 51 GLU CG C 13 36.386 0.20 . 1 . . . . . . . . 4781 1
546 . 2 2 51 51 GLU N N 15 125.636 0.20 . 1 . . . . . . . . 4781 1
547 . 2 2 52 52 ARG H H 1 8.294 0.02 . 1 . . . . . . . . 4781 1
548 . 2 2 52 52 ARG HA H 1 4.294 0.02 . 1 . . . . . . . . 4781 1
549 . 2 2 52 52 ARG HB2 H 1 1.761 0.02 . 1 . . . . . . . . 4781 1
550 . 2 2 52 52 ARG HB3 H 1 1.761 0.02 . 1 . . . . . . . . 4781 1
551 . 2 2 52 52 ARG HG2 H 1 1.581 0.02 . 1 . . . . . . . . 4781 1
552 . 2 2 52 52 ARG HG3 H 1 1.581 0.02 . 1 . . . . . . . . 4781 1
553 . 2 2 52 52 ARG HD2 H 1 3.155 0.02 . 1 . . . . . . . . 4781 1
554 . 2 2 52 52 ARG HD3 H 1 3.155 0.02 . 1 . . . . . . . . 4781 1
555 . 2 2 52 52 ARG CA C 13 55.928 0.20 . 1 . . . . . . . . 4781 1
556 . 2 2 52 52 ARG CB C 13 30.839 0.20 . 1 . . . . . . . . 4781 1
557 . 2 2 52 52 ARG CG C 13 27.053 0.20 . 1 . . . . . . . . 4781 1
558 . 2 2 52 52 ARG CD C 13 43.263 0.20 . 1 . . . . . . . . 4781 1
559 . 2 2 52 52 ARG N N 15 122.155 0.20 . 1 . . . . . . . . 4781 1
560 . 2 2 53 53 GLN H H 1 8.411 0.02 . 1 . . . . . . . . 4781 1
561 . 2 2 53 53 GLN HA H 1 4.287 0.02 . 1 . . . . . . . . 4781 1
562 . 2 2 53 53 GLN HB2 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1
563 . 2 2 53 53 GLN HB3 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1
564 . 2 2 53 53 GLN HG2 H 1 2.356 0.02 . 1 . . . . . . . . 4781 1
565 . 2 2 53 53 GLN HG3 H 1 2.356 0.02 . 1 . . . . . . . . 4781 1
566 . 2 2 53 53 GLN CA C 13 55.729 0.20 . 1 . . . . . . . . 4781 1
567 . 2 2 53 53 GLN CB C 13 29.553 0.20 . 1 . . . . . . . . 4781 1
568 . 2 2 53 53 GLN CG C 13 33.905 0.20 . 1 . . . . . . . . 4781 1
569 . 2 2 53 53 GLN N N 15 121.611 0.20 . 1 . . . . . . . . 4781 1
570 . 2 2 54 54 ALA H H 1 8.383 0.02 . 1 . . . . . . . . 4781 1
571 . 2 2 54 54 ALA HA H 1 4.339 0.02 . 1 . . . . . . . . 4781 1
572 . 2 2 54 54 ALA HB1 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1
573 . 2 2 54 54 ALA HB2 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1
574 . 2 2 54 54 ALA HB3 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1
575 . 2 2 54 54 ALA CA C 13 52.355 0.20 . 1 . . . . . . . . 4781 1
576 . 2 2 54 54 ALA CB C 13 39.509 0.20 . 1 . . . . . . . . 4781 1
577 . 2 2 54 54 ALA N N 15 126.429 0.20 . 1 . . . . . . . . 4781 1
578 . 2 2 55 55 ASN H H 1 8.010 0.02 . 1 . . . . . . . . 4781 1
579 . 2 2 55 55 ASN HA H 1 4.462 0.02 . 1 . . . . . . . . 4781 1
580 . 2 2 55 55 ASN HB2 H 1 2.641 0.02 . 1 . . . . . . . . 4781 1
581 . 2 2 55 55 ASN HB3 H 1 2.641 0.02 . 1 . . . . . . . . 4781 1
582 . 2 2 55 55 ASN CA C 13 54.710 0.20 . 1 . . . . . . . . 4781 1
583 . 2 2 55 55 ASN CB C 13 40.357 0.20 . 1 . . . . . . . . 4781 1
584 . 2 2 55 55 ASN ND2 N 15 123.718 0.20 . 1 . . . . . . . . 4781 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_NCSL2_RNA
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode NCSL2_RNA
_Assigned_chem_shift_list.Entry_ID 4781
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond-1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY' . . . 4781 2
2 '2D TOCSY' . . . 4781 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 . 1 1 1 1 G H8 H 1 8.170 0.02 . 1 . . . . . . . . 4781 2
2 . 1 1 1 1 G C8 C 13 139.129 0.20 . 1 . . . . . . . . 4781 2
3 . 1 1 1 1 G H1' H 1 5.807 0.02 . 1 . . . . . . . . 4781 2
4 . 1 1 1 1 G H2' H 1 4.923 0.02 . 1 . . . . . . . . 4781 2
5 . 1 1 1 1 G H3' H 1 4.710 0.02 . 1 . . . . . . . . 4781 2
6 . 1 1 1 1 G H4' H 1 4.509 0.02 . 1 . . . . . . . . 4781 2
7 . 1 1 1 1 G H5' H 1 4.058 0.02 . 2 . . . . . . . . 4781 2
8 . 1 1 1 1 G H5'' H 1 4.221 0.02 . 2 . . . . . . . . 4781 2
9 . 1 1 1 1 G C1' C 13 91.661 0.20 . 1 . . . . . . . . 4781 2
10 . 1 1 1 1 G C2' C 13 75.066 0.20 . 1 . . . . . . . . 4781 2
11 . 1 1 1 1 G C3' C 13 74.545 0.20 . 1 . . . . . . . . 4781 2
12 . 1 1 1 1 G C4' C 13 83.955 0.20 . 1 . . . . . . . . 4781 2
13 . 1 1 1 1 G C5' C 13 65.418 0.20 . 1 . . . . . . . . 4781 2
14 . 1 1 2 2 G H8 H 1 7.596 0.02 . 1 . . . . . . . . 4781 2
15 . 1 1 2 2 G C8 C 13 136.696 0.20 . 1 . . . . . . . . 4781 2
16 . 1 1 2 2 G H1' H 1 5.916 0.02 . 1 . . . . . . . . 4781 2
17 . 1 1 2 2 G H4' H 1 4.542 0.02 . 1 . . . . . . . . 4781 2
18 . 1 1 2 2 G C1' C 13 93.019 0.20 . 1 . . . . . . . . 4781 2
19 . 1 1 2 2 G C4' C 13 82.414 0.20 . 1 . . . . . . . . 4781 2
20 . 1 1 3 3 C H5 H 1 5.230 0.02 . 1 . . . . . . . . 4781 2
21 . 1 1 3 3 C H6 H 1 7.580 0.02 . 1 . . . . . . . . 4781 2
22 . 1 1 3 3 C C5 C 13 97.414 0.20 . 1 . . . . . . . . 4781 2
23 . 1 1 3 3 C C6 C 13 140.463 0.20 . 1 . . . . . . . . 4781 2
24 . 1 1 3 3 C H1' H 1 5.576 0.02 . 1 . . . . . . . . 4781 2
25 . 1 1 3 3 C H3' H 1 4.577 0.02 . 1 . . . . . . . . 4781 2
26 . 1 1 3 3 C H4' H 1 4.420 0.02 . 1 . . . . . . . . 4781 2
27 . 1 1 3 3 C H5' H 1 4.081 0.02 . 1 . . . . . . . . 4781 2
28 . 1 1 3 3 C C1' C 13 94.016 0.20 . 1 . . . . . . . . 4781 2
29 . 1 1 3 3 C C3' C 13 72.985 0.20 . 1 . . . . . . . . 4781 2
30 . 1 1 3 3 C C4' C 13 81.848 0.20 . 1 . . . . . . . . 4781 2
31 . 1 1 3 3 C C5' C 13 64.599 0.20 . 1 . . . . . . . . 4781 2
32 . 1 1 4 4 G H8 H 1 7.477 0.02 . 1 . . . . . . . . 4781 2
33 . 1 1 4 4 G C8 C 13 136.206 0.20 . 1 . . . . . . . . 4781 2
34 . 1 1 4 4 G H1' H 1 7.618 0.02 . 1 . . . . . . . . 4781 2
35 . 1 1 4 4 G H2' H 1 4.505 0.02 . 1 . . . . . . . . 4781 2
36 . 1 1 4 4 G H4' H 1 4.512 0.02 . 1 . . . . . . . . 4781 2
37 . 1 1 4 4 G C2' C 13 73.582 0.20 . 1 . . . . . . . . 4781 2
38 . 1 1 4 4 G C4' C 13 82.179 0.20 . 1 . . . . . . . . 4781 2
39 . 1 1 5 5 A H2 H 1 7.696 0.02 . 1 . . . . . . . . 4781 2
40 . 1 1 5 5 A H8 H 1 7.849 0.02 . 1 . . . . . . . . 4781 2
41 . 1 1 5 5 A C2 C 13 154.264 0.20 . 1 . . . . . . . . 4781 2
42 . 1 1 5 5 A C8 C 13 139.298 0.20 . 1 . . . . . . . . 4781 2
43 . 1 1 5 5 A H1' H 1 5.917 0.02 . 1 . . . . . . . . 4781 2
44 . 1 1 5 5 A C1' C 13 92.969 0.20 . 1 . . . . . . . . 4781 2
45 . 1 1 6 6 C H5 H 1 5.212 0.02 . 1 . . . . . . . . 4781 2
46 . 1 1 6 6 C H6 H 1 7.555 0.02 . 1 . . . . . . . . 4781 2
47 . 1 1 6 6 C C5 C 13 97.316 0.20 . 1 . . . . . . . . 4781 2
48 . 1 1 6 6 C C6 C 13 140.579 0.20 . 1 . . . . . . . . 4781 2
49 . 1 1 6 6 C H1' H 1 5.417 0.02 . 1 . . . . . . . . 4781 2
50 . 1 1 6 6 C H3' H 1 4.386 0.02 . 1 . . . . . . . . 4781 2
51 . 1 1 6 6 C H4' H 1 4.354 0.02 . 1 . . . . . . . . 4781 2
52 . 1 1 6 6 C C1' C 13 93.519 0.20 . 1 . . . . . . . . 4781 2
53 . 1 1 6 6 C C3' C 13 64.599 0.20 . 1 . . . . . . . . 4781 2
54 . 1 1 6 6 C C4' C 13 81.818 0.20 . 1 . . . . . . . . 4781 2
55 . 1 1 7 7 U H5 H 1 5.367 0.02 . 1 . . . . . . . . 4781 2
56 . 1 1 7 7 U H6 H 1 7.783 0.02 . 1 . . . . . . . . 4781 2
57 . 1 1 7 7 U C5 C 13 103.867 0.20 . 1 . . . . . . . . 4781 2
58 . 1 1 7 7 U C6 C 13 141.210 0.20 . 1 . . . . . . . . 4781 2
59 . 1 1 7 7 U H1' H 1 5.638 0.02 . 1 . . . . . . . . 4781 2
60 . 1 1 7 7 U H2' H 1 4.543 0.02 . 1 . . . . . . . . 4781 2
61 . 1 1 7 7 U C1' C 13 93.315 0.20 . 1 . . . . . . . . 4781 2
62 . 1 1 7 7 U C2' C 13 75.354 0.20 . 1 . . . . . . . . 4781 2
63 . 1 1 8 8 G H8 H 1 7.630 0.02 . 1 . . . . . . . . 4781 2
64 . 1 1 8 8 G C8 C 13 137.423 0.20 . 1 . . . . . . . . 4781 2
65 . 1 1 8 8 G H1' H 1 5.693 0.02 . 1 . . . . . . . . 4781 2
66 . 1 1 8 8 G H2' H 1 3.928 0.02 . 1 . . . . . . . . 4781 2
67 . 1 1 8 8 G H3' H 1 4.503 0.02 . 1 . . . . . . . . 4781 2
68 . 1 1 8 8 G H4' H 1 4.355 0.02 . 1 . . . . . . . . 4781 2
69 . 1 1 8 8 G H5' H 1 4.568 0.02 . 1 . . . . . . . . 4781 2
70 . 1 1 8 8 G H5'' H 1 4.077 0.02 . 1 . . . . . . . . 4781 2
71 . 1 1 8 8 G C1' C 13 92.927 0.20 . 1 . . . . . . . . 4781 2
72 . 1 1 8 8 G C2' C 13 76.595 0.20 . 1 . . . . . . . . 4781 2
73 . 1 1 8 8 G C3' C 13 73.605 0.20 . 1 . . . . . . . . 4781 2
74 . 1 1 8 8 G C4' C 13 82.653 0.20 . 1 . . . . . . . . 4781 2
75 . 1 1 8 8 G C5' C 13 64.468 0.20 . 1 . . . . . . . . 4781 2
76 . 1 1 9 9 G H8 H 1 7.614 0.02 . 1 . . . . . . . . 4781 2
77 . 1 1 9 9 G C8 C 13 139.047 0.20 . 1 . . . . . . . . 4781 2
78 . 1 1 9 9 G H1' H 1 5.748 0.02 . 1 . . . . . . . . 4781 2
79 . 1 1 9 9 G H2' H 1 4.498 0.02 . 1 . . . . . . . . 4781 2
80 . 1 1 9 9 G H3' H 1 4.496 0.02 . 1 . . . . . . . . 4781 2
81 . 1 1 9 9 G H4' H 1 2.660 0.02 . 1 . . . . . . . . 4781 2
82 . 1 1 9 9 G H5' H 1 2.981 0.02 . 1 . . . . . . . . 4781 2
83 . 1 1 9 9 G H5'' H 1 2.927 0.02 . 1 . . . . . . . . 4781 2
84 . 1 1 9 9 G C1' C 13 87.443 0.20 . 1 . . . . . . . . 4781 2
85 . 1 1 9 9 G C2' C 13 76.813 0.20 . 1 . . . . . . . . 4781 2
86 . 1 1 9 9 G C3' C 13 80.646 0.20 . 1 . . . . . . . . 4781 2
87 . 1 1 9 9 G C4' C 13 86.542 0.20 . 1 . . . . . . . . 4781 2
88 . 1 1 9 9 G C5' C 13 67.467 0.20 . 1 . . . . . . . . 4781 2
89 . 1 1 10 10 U H5 H 1 6.298 0.02 . 1 . . . . . . . . 4781 2
90 . 1 1 10 10 U H6 H 1 7.916 0.02 . 1 . . . . . . . . 4781 2
91 . 1 1 10 10 U C5 C 13 106.702 0.20 . 1 . . . . . . . . 4781 2
92 . 1 1 10 10 U C6 C 13 142.724 0.20 . 1 . . . . . . . . 4781 2
93 . 1 1 10 10 U H1' H 1 6.173 0.02 . 1 . . . . . . . . 4781 2
94 . 1 1 10 10 U H2' H 1 4.348 0.02 . 1 . . . . . . . . 4781 2
95 . 1 1 10 10 U H3' H 1 4.782 0.02 . 1 . . . . . . . . 4781 2
96 . 1 1 10 10 U H4' H 1 4.118 0.02 . 1 . . . . . . . . 4781 2
97 . 1 1 10 10 U H5' H 1 3.929 0.02 . 1 . . . . . . . . 4781 2
98 . 1 1 10 10 U H5'' H 1 3.930 0.02 . 1 . . . . . . . . 4781 2
99 . 1 1 10 10 U C1' C 13 89.449 0.20 . 1 . . . . . . . . 4781 2
100 . 1 1 10 10 U C2' C 13 77.469 0.20 . 1 . . . . . . . . 4781 2
101 . 1 1 10 10 U C3' C 13 80.133 0.20 . 1 . . . . . . . . 4781 2
102 . 1 1 10 10 U C4' C 13 85.745 0.20 . 1 . . . . . . . . 4781 2
103 . 1 1 10 10 U C5' C 13 67.755 0.20 . 1 . . . . . . . . 4781 2
104 . 1 1 11 11 G H8 H 1 8.328 0.02 . 1 . . . . . . . . 4781 2
105 . 1 1 11 11 G C8 C 13 140.198 0.20 . 1 . . . . . . . . 4781 2
106 . 1 1 11 11 G H1' H 1 6.116 0.02 . 1 . . . . . . . . 4781 2
107 . 1 1 11 11 G H2' H 1 5.126 0.02 . 1 . . . . . . . . 4781 2
108 . 1 1 11 11 G H3' H 1 5.069 0.02 . 1 . . . . . . . . 4781 2
109 . 1 1 11 11 G H4' H 1 4.841 0.02 . 1 . . . . . . . . 4781 2
110 . 1 1 11 11 G H5' H 1 4.249 0.02 . 1 . . . . . . . . 4781 2
111 . 1 1 11 11 G H5'' H 1 3.997 0.02 . 1 . . . . . . . . 4781 2
112 . 1 1 11 11 G C1' C 13 87.552 0.20 . 1 . . . . . . . . 4781 2
113 . 1 1 11 11 G C2' C 13 75.376 0.20 . 1 . . . . . . . . 4781 2
114 . 1 1 11 11 G C3' C 13 79.486 0.20 . 1 . . . . . . . . 4781 2
115 . 1 1 11 11 G C4' C 13 86.861 0.20 . 1 . . . . . . . . 4781 2
116 . 1 1 11 11 G C5' C 13 69.172 0.20 . 1 . . . . . . . . 4781 2
117 . 1 1 12 12 A H2 H 1 7.584 0.02 . 1 . . . . . . . . 4781 2
118 . 1 1 12 12 A H8 H 1 8.653 0.02 . 1 . . . . . . . . 4781 2
119 . 1 1 12 12 A C2 C 13 153.023 0.20 . 1 . . . . . . . . 4781 2
120 . 1 1 12 12 A C8 C 13 141.359 0.20 . 1 . . . . . . . . 4781 2
121 . 1 1 12 12 A H1' H 1 6.210 0.02 . 1 . . . . . . . . 4781 2
122 . 1 1 12 12 A H2' H 1 4.979 0.02 . 1 . . . . . . . . 4781 2
123 . 1 1 12 12 A H3' H 1 4.711 0.02 . 1 . . . . . . . . 4781 2
124 . 1 1 12 12 A H4' H 1 4.631 0.02 . 1 . . . . . . . . 4781 2
125 . 1 1 12 12 A C1' C 13 92.732 0.20 . 1 . . . . . . . . 4781 2
126 . 1 1 12 12 A C2' C 13 75.663 0.20 . 1 . . . . . . . . 4781 2
127 . 1 1 12 12 A C3' C 13 74.516 0.20 . 1 . . . . . . . . 4781 2
128 . 1 1 12 12 A C4' C 13 82.661 0.20 . 1 . . . . . . . . 4781 2
129 . 1 1 13 13 G H8 H 1 7.266 0.02 . 1 . . . . . . . . 4781 2
130 . 1 1 13 13 G C8 C 13 136.529 0.20 . 1 . . . . . . . . 4781 2
131 . 1 1 13 13 G H1' H 1 5.557 0.02 . 1 . . . . . . . . 4781 2
132 . 1 1 13 13 G H2' H 1 4.512 0.02 . 1 . . . . . . . . 4781 2
133 . 1 1 13 13 G H3' H 1 4.407 0.02 . 1 . . . . . . . . 4781 2
134 . 1 1 13 13 G H4' H 1 4.514 0.02 . 1 . . . . . . . . 4781 2
135 . 1 1 13 13 G C1' C 13 93.304 0.20 . 1 . . . . . . . . 4781 2
136 . 1 1 13 13 G C2' C 13 75.155 0.20 . 1 . . . . . . . . 4781 2
137 . 1 1 13 13 G C3' C 13 73.762 0.20 . 1 . . . . . . . . 4781 2
138 . 1 1 13 13 G C4' C 13 82.882 0.20 . 1 . . . . . . . . 4781 2
139 . 1 1 14 14 U H5 H 1 5.149 0.02 . 1 . . . . . . . . 4781 2
140 . 1 1 14 14 U H6 H 1 7.688 0.02 . 1 . . . . . . . . 4781 2
141 . 1 1 14 14 U C5 C 13 103.678 0.20 . 1 . . . . . . . . 4781 2
142 . 1 1 14 14 U C6 C 13 142.166 0.20 . 1 . . . . . . . . 4781 2
143 . 1 1 14 14 U H1' H 1 5.880 0.02 . 1 . . . . . . . . 4781 2
144 . 1 1 14 14 U H2' H 1 4.297 0.02 . 1 . . . . . . . . 4781 2
145 . 1 1 14 14 U H3' H 1 4.660 0.02 . 1 . . . . . . . . 4781 2
146 . 1 1 14 14 U H4' H 1 4.486 0.02 . 1 . . . . . . . . 4781 2
147 . 1 1 14 14 U C1' C 13 91.656 0.20 . 1 . . . . . . . . 4781 2
148 . 1 1 14 14 U C2' C 13 76.369 0.20 . 1 . . . . . . . . 4781 2
149 . 1 1 14 14 U C3' C 13 75.485 0.20 . 1 . . . . . . . . 4781 2
150 . 1 1 14 14 U C4' C 13 84.367 0.20 . 1 . . . . . . . . 4781 2
151 . 1 1 15 15 A H2 H 1 8.016 0.02 . 1 . . . . . . . . 4781 2
152 . 1 1 15 15 A H8 H 1 8.393 0.02 . 1 . . . . . . . . 4781 2
153 . 1 1 15 15 A C2 C 13 155.399 0.20 . 1 . . . . . . . . 4781 2
154 . 1 1 15 15 A C8 C 13 141.795 0.20 . 1 . . . . . . . . 4781 2
155 . 1 1 15 15 A H1' H 1 6.113 0.02 . 1 . . . . . . . . 4781 2
156 . 1 1 15 15 A H2' H 1 4.752 0.02 . 1 . . . . . . . . 4781 2
157 . 1 1 15 15 A H3' H 1 4.833 0.02 . 1 . . . . . . . . 4781 2
158 . 1 1 15 15 A H4' H 1 4.571 0.02 . 1 . . . . . . . . 4781 2
159 . 1 1 15 15 A H5' H 1 4.212 0.02 . 1 . . . . . . . . 4781 2
160 . 1 1 15 15 A C1' C 13 90.375 0.20 . 1 . . . . . . . . 4781 2
161 . 1 1 15 15 A C2' C 13 76.156 0.20 . 1 . . . . . . . . 4781 2
162 . 1 1 15 15 A C3' C 13 75.979 0.20 . 1 . . . . . . . . 4781 2
163 . 1 1 15 15 A C4' C 13 84.785 0.20 . 1 . . . . . . . . 4781 2
164 . 1 1 15 15 A C5' C 13 67.005 0.20 . 1 . . . . . . . . 4781 2
165 . 1 1 16 16 C H5 H 1 5.640 0.02 . 1 . . . . . . . . 4781 2
166 . 1 1 16 16 C H6 H 1 7.701 0.02 . 1 . . . . . . . . 4781 2
167 . 1 1 16 16 C C5 C 13 98.405 0.02 . 1 . . . . . . . . 4781 2
168 . 1 1 16 16 C C6 C 13 142.183 0.02 . 1 . . . . . . . . 4781 2
169 . 1 1 16 16 C H1' H 1 5.562 0.02 . 1 . . . . . . . . 4781 2
170 . 1 1 16 16 C H3' H 1 4.498 0.02 . 1 . . . . . . . . 4781 2
171 . 1 1 16 16 C C1' C 13 93.940 0.20 . 1 . . . . . . . . 4781 2
172 . 1 1 16 16 C C3' C 13 74.207 0.20 . 1 . . . . . . . . 4781 2
173 . 1 1 17 17 G H8 H 1 7.725 0.02 . 1 . . . . . . . . 4781 2
174 . 1 1 17 17 G C8 C 13 136.853 0.20 . 1 . . . . . . . . 4781 2
175 . 1 1 17 17 G H4' H 1 4.495 0.02 . 1 . . . . . . . . 4781 2
176 . 1 1 17 17 G H5' H 1 4.515 0.02 . 1 . . . . . . . . 4781 2
177 . 1 1 17 17 G H5'' H 1 4.165 0.02 . 1 . . . . . . . . 4781 2
178 . 1 1 17 17 G C4' C 13 82.413 0.20 . 1 . . . . . . . . 4781 2
179 . 1 1 17 17 G C5' C 13 65.812 0.20 . 1 . . . . . . . . 4781 2
180 . 1 1 18 18 C H5 H 1 5.211 0.02 . 1 . . . . . . . . 4781 2
181 . 1 1 18 18 C H6 H 1 7.711 0.02 . 1 . . . . . . . . 4781 2
182 . 1 1 18 18 C C5 C 13 96.961 0.20 . 1 . . . . . . . . 4781 2
183 . 1 1 18 18 C C6 C 13 141.354 0.20 . 1 . . . . . . . . 4781 2
184 . 1 1 18 18 C H1' H 1 5.764 0.02 . 1 . . . . . . . . 4781 2
185 . 1 1 18 18 C H4' H 1 4.413 0.02 . 1 . . . . . . . . 4781 2
186 . 1 1 18 18 C C1' C 13 93.174 0.20 . 1 . . . . . . . . 4781 2
187 . 1 1 18 18 C C4' C 13 81.943 0.20 . 1 . . . . . . . . 4781 2
188 . 1 1 19 19 C H5 H 1 5.512 0.02 . 1 . . . . . . . . 4781 2
189 . 1 1 19 19 C H6 H 1 7.675 0.02 . 1 . . . . . . . . 4781 2
190 . 1 1 19 19 C C5 C 13 98.211 0.02 . 1 . . . . . . . . 4781 2
191 . 1 1 19 19 C C6 C 13 141.690 0.02 . 1 . . . . . . . . 4781 2
192 . 1 1 19 19 C H1' H 1 5.763 0.02 . 1 . . . . . . . . 4781 2
193 . 1 1 19 19 C H2' H 1 3.998 0.02 . 1 . . . . . . . . 4781 2
194 . 1 1 19 19 C H3' H 1 4.175 0.02 . 1 . . . . . . . . 4781 2
195 . 1 1 19 19 C H4' H 1 4.165 0.02 . 1 . . . . . . . . 4781 2
196 . 1 1 19 19 C H5' H 1 4.486 0.02 . 1 . . . . . . . . 4781 2
197 . 1 1 19 19 C H5'' H 1 4.032 0.02 . 1 . . . . . . . . 4781 2
198 . 1 1 19 19 C C1' C 13 92.942 0.20 . 1 . . . . . . . . 4781 2
199 . 1 1 19 19 C C2' C 13 77.558 0.20 . 1 . . . . . . . . 4781 2
200 . 1 1 19 19 C C3' C 13 69.650 0.20 . 1 . . . . . . . . 4781 2
201 . 1 1 19 19 C C4' C 13 83.371 0.20 . 1 . . . . . . . . 4781 2
202 . 1 1 19 19 C C5' C 13 65.059 0.20 . 1 . . . . . . . . 4781 2
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