###################################
# 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 50236
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'WT1(-KTS)-RNA complex protein component'
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50236 1
2 '3D HNCA' . . . 50236 1
3 '3D HN(CO)CA' . . . 50236 1
4 '3D HNCO' . . . 50236 1
5 '3D HNCACB' . . . 50236 1
6 '3D CBCA(CO)NH' . . . 50236 1
7 '3D HCCH-COSY' . . . 50236 1
8 '3D HCCH-TOCSY' . . . 50236 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
2 $software_2 . . 50236 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 GLU C C 13 176.3046 0.1 . . . . . . . 319 GLU C . 50236 1
2 . 1 . 1 2 2 LYS H H 1 8.2885 0.01 . . . . . . . 320 LYS H . 50236 1
3 . 1 . 1 2 2 LYS C C 13 175.7885 0.1 . . . . . . . 320 LYS C . 50236 1
4 . 1 . 1 2 2 LYS CA C 13 55.8690 0.1 . . . . . . . 320 LYS CA . 50236 1
5 . 1 . 1 2 2 LYS CB C 13 29.7790 0.1 . . . . . . . 320 LYS CB . 50236 1
6 . 1 . 1 2 2 LYS N N 15 122.6340 0.1 . . . . . . . 320 LYS N . 50236 1
7 . 1 . 1 3 3 ARG H H 1 8.1511 0.01 . . . . . . . 321 ARG H . 50236 1
8 . 1 . 1 3 3 ARG CA C 13 52.8454 0.1 . . . . . . . 321 ARG CA . 50236 1
9 . 1 . 1 3 3 ARG CB C 13 29.8498 0.1 . . . . . . . 321 ARG CB . 50236 1
10 . 1 . 1 3 3 ARG N N 15 121.8768 0.1 . . . . . . . 321 ARG N . 50236 1
11 . 1 . 1 4 4 PRO C C 13 175.9870 0.1 . . . . . . . 322 PRO C . 50236 1
12 . 1 . 1 4 4 PRO CA C 13 62.7653 0.1 . . . . . . . 322 PRO CA . 50236 1
13 . 1 . 1 4 4 PRO CB C 13 31.5005 0.1 . . . . . . . 322 PRO CB . 50236 1
14 . 1 . 1 5 5 PHE H H 1 7.4896 0.01 . . . . . . . 323 PHE H . 50236 1
15 . 1 . 1 5 5 PHE C C 13 174.7749 0.1 . . . . . . . 323 PHE C . 50236 1
16 . 1 . 1 5 5 PHE CA C 13 56.9768 0.1 . . . . . . . 323 PHE CA . 50236 1
17 . 1 . 1 5 5 PHE CB C 13 38.8685 0.1 . . . . . . . 323 PHE CB . 50236 1
18 . 1 . 1 5 5 PHE N N 15 116.8292 0.1 . . . . . . . 323 PHE N . 50236 1
19 . 1 . 1 6 6 MET H H 1 8.5422 0.01 . . . . . . . 324 MET H . 50236 1
20 . 1 . 1 6 6 MET C C 13 174.7958 0.1 . . . . . . . 324 MET C . 50236 1
21 . 1 . 1 6 6 MET CA C 13 53.8857 0.1 . . . . . . . 324 MET CA . 50236 1
22 . 1 . 1 6 6 MET CB C 13 33.9106 0.1 . . . . . . . 324 MET CB . 50236 1
23 . 1 . 1 6 6 MET N N 15 123.3545 0.1 . . . . . . . 324 MET N . 50236 1
24 . 1 . 1 7 7 CYS H H 1 8.6709 0.01 . . . . . . . 325 CYS H . 50236 1
25 . 1 . 1 7 7 CYS C C 13 175.5304 0.1 . . . . . . . 325 CYS C . 50236 1
26 . 1 . 1 7 7 CYS CA C 13 60.9018 0.1 . . . . . . . 325 CYS CA . 50236 1
27 . 1 . 1 7 7 CYS CB C 13 29.9167 0.1 . . . . . . . 325 CYS CB . 50236 1
28 . 1 . 1 7 7 CYS N N 15 126.7212 0.1 . . . . . . . 325 CYS N . 50236 1
29 . 1 . 1 8 8 ALA H H 1 8.6540 0.01 . . . . . . . 326 ALA H . 50236 1
30 . 1 . 1 8 8 ALA C C 13 177.6149 0.1 . . . . . . . 326 ALA C . 50236 1
31 . 1 . 1 8 8 ALA CA C 13 51.7384 0.1 . . . . . . . 326 ALA CA . 50236 1
32 . 1 . 1 8 8 ALA CB C 13 18.6164 0.1 . . . . . . . 326 ALA CB . 50236 1
33 . 1 . 1 8 8 ALA N N 15 131.1961 0.1 . . . . . . . 326 ALA N . 50236 1
34 . 1 . 1 9 9 TYR H H 1 9.2060 0.01 . . . . . . . 327 TYR H . 50236 1
35 . 1 . 1 9 9 TYR CA C 13 57.8034 0.1 . . . . . . . 327 TYR CA . 50236 1
36 . 1 . 1 9 9 TYR CB C 13 38.3176 0.1 . . . . . . . 327 TYR CB . 50236 1
37 . 1 . 1 9 9 TYR N N 15 128.1847 0.1 . . . . . . . 327 TYR N . 50236 1
38 . 1 . 1 10 10 PRO C C 13 177.6348 0.1 . . . . . . . 328 PRO C . 50236 1
39 . 1 . 1 10 10 PRO CA C 13 63.8053 0.1 . . . . . . . 328 PRO CA . 50236 1
40 . 1 . 1 11 11 GLY H H 1 8.6845 0.01 . . . . . . . 329 GLY H . 50236 1
41 . 1 . 1 11 11 GLY C C 13 173.7624 0.1 . . . . . . . 329 GLY C . 50236 1
42 . 1 . 1 11 11 GLY CA C 13 45.1656 0.1 . . . . . . . 329 GLY CA . 50236 1
43 . 1 . 1 11 11 GLY N N 15 112.2151 0.1 . . . . . . . 329 GLY N . 50236 1
44 . 1 . 1 12 12 CYS H H 1 8.0779 0.01 . . . . . . . 330 CYS H . 50236 1
45 . 1 . 1 12 12 CYS C C 13 175.3517 0.1 . . . . . . . 330 CYS C . 50236 1
46 . 1 . 1 12 12 CYS CA C 13 60.5100 0.1 . . . . . . . 330 CYS CA . 50236 1
47 . 1 . 1 12 12 CYS CB C 13 30.0544 0.1 . . . . . . . 330 CYS CB . 50236 1
48 . 1 . 1 12 12 CYS N N 15 123.5011 0.1 . . . . . . . 330 CYS N . 50236 1
49 . 1 . 1 13 13 ASN H H 1 8.6000 0.01 . . . . . . . 331 ASN H . 50236 1
50 . 1 . 1 13 13 ASN C C 13 175.1333 0.1 . . . . . . . 331 ASN C . 50236 1
51 . 1 . 1 13 13 ASN CA C 13 53.1796 0.1 . . . . . . . 331 ASN CA . 50236 1
52 . 1 . 1 13 13 ASN CB C 13 38.3176 0.1 . . . . . . . 331 ASN CB . 50236 1
53 . 1 . 1 13 13 ASN N N 15 117.1186 0.1 . . . . . . . 331 ASN N . 50236 1
54 . 1 . 1 14 14 LYS H H 1 8.0518 0.01 . . . . . . . 332 LYS H . 50236 1
55 . 1 . 1 14 14 LYS C C 13 179.3223 0.1 . . . . . . . 332 LYS C . 50236 1
56 . 1 . 1 14 14 LYS CA C 13 56.9486 0.1 . . . . . . . 332 LYS CA . 50236 1
57 . 1 . 1 14 14 LYS CB C 13 32.3957 0.1 . . . . . . . 332 LYS CB . 50236 1
58 . 1 . 1 14 14 LYS N N 15 121.1086 0.1 . . . . . . . 332 LYS N . 50236 1
59 . 1 . 1 15 15 ARG H H 1 7.6928 0.01 . . . . . . . 333 ARG H . 50236 1
60 . 1 . 1 15 15 ARG C C 13 174.4176 0.1 . . . . . . . 333 ARG C . 50236 1
61 . 1 . 1 15 15 ARG CA C 13 53.9354 0.1 . . . . . . . 333 ARG CA . 50236 1
62 . 1 . 1 15 15 ARG CB C 13 32.8088 0.1 . . . . . . . 333 ARG CB . 50236 1
63 . 1 . 1 15 15 ARG N N 15 118.6016 0.1 . . . . . . . 333 ARG N . 50236 1
64 . 1 . 1 16 16 TYR H H 1 8.5349 0.01 . . . . . . . 334 TYR H . 50236 1
65 . 1 . 1 16 16 TYR C C 13 175.0738 0.1 . . . . . . . 334 TYR C . 50236 1
66 . 1 . 1 16 16 TYR CA C 13 57.5801 0.1 . . . . . . . 334 TYR CA . 50236 1
67 . 1 . 1 16 16 TYR CB C 13 43.4821 0.1 . . . . . . . 334 TYR CB . 50236 1
68 . 1 . 1 16 16 TYR N N 15 117.1063 0.1 . . . . . . . 334 TYR N . 50236 1
69 . 1 . 1 17 17 PHE H H 1 9.6544 0.01 . . . . . . . 335 PHE H . 50236 1
70 . 1 . 1 17 17 PHE C C 13 175.0738 0.1 . . . . . . . 335 PHE C . 50236 1
71 . 1 . 1 17 17 PHE CA C 13 59.3589 0.1 . . . . . . . 335 PHE CA . 50236 1
72 . 1 . 1 17 17 PHE CB C 13 39.0750 0.1 . . . . . . . 335 PHE CB . 50236 1
73 . 1 . 1 17 17 PHE N N 15 117.6817 0.1 . . . . . . . 335 PHE N . 50236 1
74 . 1 . 1 18 18 LYS H H 1 6.9605 0.01 . . . . . . . 336 LYS H . 50236 1
75 . 1 . 1 18 18 LYS C C 13 175.8480 0.1 . . . . . . . 336 LYS C . 50236 1
76 . 1 . 1 18 18 LYS CA C 13 54.7538 0.1 . . . . . . . 336 LYS CA . 50236 1
77 . 1 . 1 18 18 LYS CB C 13 34.7369 0.1 . . . . . . . 336 LYS CB . 50236 1
78 . 1 . 1 18 18 LYS N N 15 115.9005 0.1 . . . . . . . 336 LYS N . 50236 1
79 . 1 . 1 19 19 LEU H H 1 8.1929 0.01 . . . . . . . 337 LEU H . 50236 1
80 . 1 . 1 19 19 LEU C C 13 183.0745 0.1 . . . . . . . 337 LEU C . 50236 1
81 . 1 . 1 19 19 LEU CA C 13 57.1918 0.1 . . . . . . . 337 LEU CA . 50236 1
82 . 1 . 1 19 19 LEU CB C 13 39.4882 0.1 . . . . . . . 337 LEU CB . 50236 1
83 . 1 . 1 19 19 LEU N N 15 127.1434 0.1 . . . . . . . 337 LEU N . 50236 1
84 . 1 . 1 20 20 SER H H 1 8.1720 0.01 . . . . . . . 338 SER H . 50236 1
85 . 1 . 1 20 20 SER C C 13 177.6149 0.1 . . . . . . . 338 SER C . 50236 1
86 . 1 . 1 20 20 SER CA C 13 60.0487 0.1 . . . . . . . 338 SER CA . 50236 1
87 . 1 . 1 20 20 SER N N 15 113.3341 0.1 . . . . . . . 338 SER N . 50236 1
88 . 1 . 1 21 21 HIS H H 1 6.4320 0.01 . . . . . . . 339 HIS H . 50236 1
89 . 1 . 1 21 21 HIS C C 13 178.3892 0.1 . . . . . . . 339 HIS C . 50236 1
90 . 1 . 1 21 21 HIS CA C 13 56.0097 0.1 . . . . . . . 339 HIS CA . 50236 1
91 . 1 . 1 21 21 HIS CB C 13 30.8807 0.1 . . . . . . . 339 HIS CB . 50236 1
92 . 1 . 1 21 21 HIS N N 15 121.3442 0.1 . . . . . . . 339 HIS N . 50236 1
93 . 1 . 1 22 22 LEU H H 1 7.1027 0.01 . . . . . . . 340 LEU H . 50236 1
94 . 1 . 1 22 22 LEU C C 13 178.5282 0.1 . . . . . . . 340 LEU C . 50236 1
95 . 1 . 1 22 22 LEU CA C 13 57.2051 0.1 . . . . . . . 340 LEU CA . 50236 1
96 . 1 . 1 22 22 LEU CB C 13 39.2816 0.1 . . . . . . . 340 LEU CB . 50236 1
97 . 1 . 1 22 22 LEU N N 15 121.1380 0.1 . . . . . . . 340 LEU N . 50236 1
98 . 1 . 1 23 23 GLN H H 1 8.6178 0.01 . . . . . . . 341 GLN H . 50236 1
99 . 1 . 1 23 23 GLN C C 13 178.8260 0.1 . . . . . . . 341 GLN C . 50236 1
100 . 1 . 1 23 23 GLN CA C 13 58.6891 0.1 . . . . . . . 341 GLN CA . 50236 1
101 . 1 . 1 23 23 GLN CB C 13 27.0935 0.1 . . . . . . . 341 GLN CB . 50236 1
102 . 1 . 1 23 23 GLN N N 15 119.3490 0.1 . . . . . . . 341 GLN N . 50236 1
103 . 1 . 1 24 24 MET H H 1 7.7473 0.01 . . . . . . . 342 MET H . 50236 1
104 . 1 . 1 24 24 MET C C 13 177.8330 0.1 . . . . . . . 342 MET C . 50236 1
105 . 1 . 1 24 24 MET CA C 13 57.4835 0.1 . . . . . . . 342 MET CA . 50236 1
106 . 1 . 1 24 24 MET CB C 13 28.1952 0.1 . . . . . . . 342 MET CB . 50236 1
107 . 1 . 1 24 24 MET N N 15 119.0155 0.1 . . . . . . . 342 MET N . 50236 1
108 . 1 . 1 25 25 HIS H H 1 8.3102 0.01 . . . . . . . 343 HIS H . 50236 1
109 . 1 . 1 25 25 HIS C C 13 177.4760 0.1 . . . . . . . 343 HIS C . 50236 1
110 . 1 . 1 25 25 HIS CA C 13 59.1245 0.1 . . . . . . . 343 HIS CA . 50236 1
111 . 1 . 1 25 25 HIS CB C 13 31.1562 0.1 . . . . . . . 343 HIS CB . 50236 1
112 . 1 . 1 25 25 HIS N N 15 119.2323 0.1 . . . . . . . 343 HIS N . 50236 1
113 . 1 . 1 26 26 SER H H 1 8.8327 0.01 . . . . . . . 344 SER H . 50236 1
114 . 1 . 1 26 26 SER C C 13 176.5429 0.1 . . . . . . . 344 SER C . 50236 1
115 . 1 . 1 26 26 SER CA C 13 62.0880 0.1 . . . . . . . 344 SER CA . 50236 1
116 . 1 . 1 26 26 SER CB C 13 63.5861 0.1 . . . . . . . 344 SER CB . 50236 1
117 . 1 . 1 26 26 SER N N 15 113.6954 0.1 . . . . . . . 344 SER N . 50236 1
118 . 1 . 1 27 27 ARG H H 1 7.2555 0.01 . . . . . . . 345 ARG H . 50236 1
119 . 1 . 1 27 27 ARG C C 13 178.7267 0.1 . . . . . . . 345 ARG C . 50236 1
120 . 1 . 1 27 27 ARG CA C 13 57.9085 0.1 . . . . . . . 345 ARG CA . 50236 1
121 . 1 . 1 27 27 ARG CB C 13 28.8150 0.1 . . . . . . . 345 ARG CB . 50236 1
122 . 1 . 1 27 27 ARG N N 15 119.7105 0.1 . . . . . . . 345 ARG N . 50236 1
123 . 1 . 1 28 28 LYS H H 1 7.9190 0.01 . . . . . . . 346 LYS H . 50236 1
124 . 1 . 1 28 28 LYS C C 13 178.4289 0.1 . . . . . . . 346 LYS C . 50236 1
125 . 1 . 1 28 28 LYS CA C 13 58.1089 0.1 . . . . . . . 346 LYS CA . 50236 1
126 . 1 . 1 28 28 LYS CB C 13 30.8807 0.1 . . . . . . . 346 LYS CB . 50236 1
127 . 1 . 1 28 28 LYS N N 15 119.5009 0.1 . . . . . . . 346 LYS N . 50236 1
128 . 1 . 1 29 29 HIS H H 1 7.1167 0.01 . . . . . . . 347 HIS H . 50236 1
129 . 1 . 1 29 29 HIS C C 13 176.1657 0.1 . . . . . . . 347 HIS C . 50236 1
130 . 1 . 1 29 29 HIS CA C 13 56.8351 0.1 . . . . . . . 347 HIS CA . 50236 1
131 . 1 . 1 29 29 HIS CB C 13 27.7132 0.1 . . . . . . . 347 HIS CB . 50236 1
132 . 1 . 1 29 29 HIS N N 15 114.9951 0.1 . . . . . . . 347 HIS N . 50236 1
133 . 1 . 1 30 30 THR H H 1 7.4905 0.01 . . . . . . . 348 THR H . 50236 1
134 . 1 . 1 30 30 THR C C 13 175.2723 0.1 . . . . . . . 348 THR C . 50236 1
135 . 1 . 1 30 30 THR CA C 13 61.4082 0.1 . . . . . . . 348 THR CA . 50236 1
136 . 1 . 1 30 30 THR CB C 13 69.2356 0.1 . . . . . . . 348 THR CB . 50236 1
137 . 1 . 1 30 30 THR N N 15 108.1829 0.1 . . . . . . . 348 THR N . 50236 1
138 . 1 . 1 31 31 GLY H H 1 7.7069 0.01 . . . . . . . 349 GLY H . 50236 1
139 . 1 . 1 31 31 GLY C C 13 174.2389 0.1 . . . . . . . 349 GLY C . 50236 1
140 . 1 . 1 31 31 GLY CA C 13 44.9510 0.1 . . . . . . . 349 GLY CA . 50236 1
141 . 1 . 1 31 31 GLY N N 15 108.7200 0.1 . . . . . . . 349 GLY N . 50236 1
142 . 1 . 1 32 32 GLU H H 1 7.5087 0.01 . . . . . . . 350 GLU H . 50236 1
143 . 1 . 1 32 32 GLU C C 13 175.7686 0.1 . . . . . . . 350 GLU C . 50236 1
144 . 1 . 1 32 32 GLU CA C 13 56.0653 0.1 . . . . . . . 350 GLU CA . 50236 1
145 . 1 . 1 32 32 GLU CB C 13 30.3299 0.1 . . . . . . . 350 GLU CB . 50236 1
146 . 1 . 1 32 32 GLU N N 15 120.0937 0.1 . . . . . . . 350 GLU N . 50236 1
147 . 1 . 1 33 33 LYS H H 1 8.4327 0.01 . . . . . . . 351 LYS H . 50236 1
148 . 1 . 1 33 33 LYS CA C 13 53.1502 0.1 . . . . . . . 351 LYS CA . 50236 1
149 . 1 . 1 33 33 LYS CB C 13 32.8777 0.1 . . . . . . . 351 LYS CB . 50236 1
150 . 1 . 1 33 33 LYS N N 15 123.3915 0.1 . . . . . . . 351 LYS N . 50236 1
151 . 1 . 1 34 34 PRO C C 13 176.1061 0.1 . . . . . . . 352 PRO C . 50236 1
152 . 1 . 1 34 34 PRO CA C 13 63.6264 0.1 . . . . . . . 352 PRO CA . 50236 1
153 . 1 . 1 34 34 PRO CB C 13 32.2579 0.1 . . . . . . . 352 PRO CB . 50236 1
154 . 1 . 1 35 35 TYR H H 1 7.8391 0.01 . . . . . . . 353 TYR H . 50236 1
155 . 1 . 1 35 35 TYR C C 13 174.3958 0.1 . . . . . . . 353 TYR C . 50236 1
156 . 1 . 1 35 35 TYR CA C 13 57.5086 0.1 . . . . . . . 353 TYR CA . 50236 1
157 . 1 . 1 35 35 TYR CB C 13 37.8356 0.1 . . . . . . . 353 TYR CB . 50236 1
158 . 1 . 1 35 35 TYR N N 15 117.0500 0.1 . . . . . . . 353 TYR N . 50236 1
159 . 1 . 1 36 36 GLN H H 1 8.7938 0.01 . . . . . . . 354 GLN H . 50236 1
160 . 1 . 1 36 36 GLN C C 13 174.3183 0.1 . . . . . . . 354 GLN C . 50236 1
161 . 1 . 1 36 36 GLN CA C 13 54.0637 0.1 . . . . . . . 354 GLN CA . 50236 1
162 . 1 . 1 36 36 GLN CB C 13 30.9496 0.1 . . . . . . . 354 GLN CB . 50236 1
163 . 1 . 1 36 36 GLN N N 15 124.1319 0.1 . . . . . . . 354 GLN N . 50236 1
164 . 1 . 1 37 37 CYS H H 1 8.8581 0.01 . . . . . . . 355 CYS H . 50236 1
165 . 1 . 1 37 37 CYS C C 13 175.0539 0.1 . . . . . . . 355 CYS C . 50236 1
166 . 1 . 1 37 37 CYS CA C 13 61.2675 0.1 . . . . . . . 355 CYS CA . 50236 1
167 . 1 . 1 37 37 CYS CB C 13 30.1921 0.1 . . . . . . . 355 CYS CB . 50236 1
168 . 1 . 1 37 37 CYS N N 15 128.1566 0.1 . . . . . . . 355 CYS N . 50236 1
169 . 1 . 1 38 38 ASP H H 1 8.4981 0.01 . . . . . . . 356 ASP H . 50236 1
170 . 1 . 1 38 38 ASP C C 13 176.4039 0.1 . . . . . . . 356 ASP C . 50236 1
171 . 1 . 1 38 38 ASP CA C 13 53.3612 0.1 . . . . . . . 356 ASP CA . 50236 1
172 . 1 . 1 38 38 ASP CB C 13 40.1079 0.1 . . . . . . . 356 ASP CB . 50236 1
173 . 1 . 1 38 38 ASP N N 15 127.2278 0.1 . . . . . . . 356 ASP N . 50236 1
174 . 1 . 1 39 39 PHE H H 1 8.9802 0.01 . . . . . . . 357 PHE H . 50236 1
175 . 1 . 1 39 39 PHE C C 13 176.3841 0.1 . . . . . . . 357 PHE C . 50236 1
176 . 1 . 1 39 39 PHE CA C 13 59.2991 0.1 . . . . . . . 357 PHE CA . 50236 1
177 . 1 . 1 39 39 PHE CB C 13 38.9373 0.1 . . . . . . . 357 PHE CB . 50236 1
178 . 1 . 1 39 39 PHE N N 15 125.9050 0.1 . . . . . . . 357 PHE N . 50236 1
179 . 1 . 1 40 40 LYS H H 1 7.7963 0.01 . . . . . . . 358 LYS H . 50236 1
180 . 1 . 1 40 40 LYS C C 13 176.3046 0.1 . . . . . . . 358 LYS C . 50236 1
181 . 1 . 1 40 40 LYS CA C 13 57.8745 0.1 . . . . . . . 358 LYS CA . 50236 1
182 . 1 . 1 40 40 LYS CB C 13 30.8807 0.1 . . . . . . . 358 LYS CB . 50236 1
183 . 1 . 1 40 40 LYS N N 15 126.8901 0.1 . . . . . . . 358 LYS N . 50236 1
184 . 1 . 1 41 41 ASP H H 1 8.6947 0.01 . . . . . . . 359 ASP H . 50236 1
185 . 1 . 1 41 41 ASP C C 13 174.6955 0.1 . . . . . . . 359 ASP C . 50236 1
186 . 1 . 1 41 41 ASP CA C 13 55.5412 0.1 . . . . . . . 359 ASP CA . 50236 1
187 . 1 . 1 41 41 ASP CB C 13 38.9373 0.1 . . . . . . . 359 ASP CB . 50236 1
188 . 1 . 1 41 41 ASP N N 15 119.4491 0.1 . . . . . . . 359 ASP N . 50236 1
189 . 1 . 1 42 42 CYS H H 1 8.2367 0.01 . . . . . . . 360 CYS H . 50236 1
190 . 1 . 1 42 42 CYS C C 13 175.3914 0.1 . . . . . . . 360 CYS C . 50236 1
191 . 1 . 1 42 42 CYS CA C 13 60.9240 0.1 . . . . . . . 360 CYS CA . 50236 1
192 . 1 . 1 42 42 CYS CB C 13 30.0544 0.1 . . . . . . . 360 CYS CB . 50236 1
193 . 1 . 1 42 42 CYS N N 15 122.6839 0.1 . . . . . . . 360 CYS N . 50236 1
194 . 1 . 1 43 43 GLU H H 1 8.4711 0.01 . . . . . . . 361 GLU H . 50236 1
195 . 1 . 1 43 43 GLU C C 13 176.3046 0.1 . . . . . . . 361 GLU C . 50236 1
196 . 1 . 1 43 43 GLU CA C 13 56.1133 0.1 . . . . . . . 361 GLU CA . 50236 1
197 . 1 . 1 43 43 GLU N N 15 116.5135 0.1 . . . . . . . 361 GLU N . 50236 1
198 . 1 . 1 44 44 ARG H H 1 8.2589 0.01 . . . . . . . 362 ARG H . 50236 1
199 . 1 . 1 44 44 ARG C C 13 174.8355 0.1 . . . . . . . 362 ARG C . 50236 1
200 . 1 . 1 44 44 ARG CA C 13 56.9923 0.1 . . . . . . . 362 ARG CA . 50236 1
201 . 1 . 1 44 44 ARG CB C 13 29.7101 0.1 . . . . . . . 362 ARG CB . 50236 1
202 . 1 . 1 44 44 ARG N N 15 122.3552 0.1 . . . . . . . 362 ARG N . 50236 1
203 . 1 . 1 45 45 ARG H H 1 7.6928 0.01 . . . . . . . 363 ARG H . 50236 1
204 . 1 . 1 45 45 ARG C C 13 175.1135 0.1 . . . . . . . 363 ARG C . 50236 1
205 . 1 . 1 45 45 ARG CA C 13 53.9354 0.1 . . . . . . . 363 ARG CA . 50236 1
206 . 1 . 1 45 45 ARG CB C 13 32.8088 0.1 . . . . . . . 363 ARG CB . 50236 1
207 . 1 . 1 45 45 ARG N N 15 118.6016 0.1 . . . . . . . 363 ARG N . 50236 1
208 . 1 . 1 46 46 PHE H H 1 8.8792 0.01 . . . . . . . 364 PHE H . 50236 1
209 . 1 . 1 46 46 PHE C C 13 175.6892 0.1 . . . . . . . 364 PHE C . 50236 1
210 . 1 . 1 46 46 PHE CA C 13 56.8138 0.1 . . . . . . . 364 PHE CA . 50236 1
211 . 1 . 1 46 46 PHE CB C 13 43.5509 0.1 . . . . . . . 364 PHE CB . 50236 1
212 . 1 . 1 46 46 PHE N N 15 115.5308 0.1 . . . . . . . 364 PHE N . 50236 1
213 . 1 . 1 47 47 SER H H 1 9.3529 0.01 . . . . . . . 365 SER H . 50236 1
214 . 1 . 1 47 47 SER C C 13 173.7029 0.1 . . . . . . . 365 SER C . 50236 1
215 . 1 . 1 47 47 SER CA C 13 60.5980 0.1 . . . . . . . 365 SER CA . 50236 1
216 . 1 . 1 47 47 SER CB C 13 63.8645 0.1 . . . . . . . 365 SER CB . 50236 1
217 . 1 . 1 47 47 SER N N 15 116.5479 0.1 . . . . . . . 365 SER N . 50236 1
218 . 1 . 1 48 48 ARG H H 1 7.2208 0.01 . . . . . . . 366 ARG H . 50236 1
219 . 1 . 1 48 48 ARG C C 13 175.7885 0.1 . . . . . . . 366 ARG C . 50236 1
220 . 1 . 1 48 48 ARG CA C 13 54.3244 0.1 . . . . . . . 366 ARG CA . 50236 1
221 . 1 . 1 48 48 ARG CB C 13 35.1500 0.1 . . . . . . . 366 ARG CB . 50236 1
222 . 1 . 1 48 48 ARG N N 15 116.4376 0.1 . . . . . . . 366 ARG N . 50236 1
223 . 1 . 1 49 49 SER H H 1 8.2768 0.01 . . . . . . . 367 SER H . 50236 1
224 . 1 . 1 49 49 SER C C 13 176.7613 0.1 . . . . . . . 367 SER C . 50236 1
225 . 1 . 1 49 49 SER CA C 13 60.4065 0.1 . . . . . . . 367 SER CA . 50236 1
226 . 1 . 1 49 49 SER CB C 13 62.5562 0.1 . . . . . . . 367 SER CB . 50236 1
227 . 1 . 1 49 49 SER N N 15 117.9213 0.1 . . . . . . . 367 SER N . 50236 1
228 . 1 . 1 50 50 ASP H H 1 8.9945 0.01 . . . . . . . 368 ASP H . 50236 1
229 . 1 . 1 50 50 ASP C C 13 179.5208 0.1 . . . . . . . 368 ASP C . 50236 1
230 . 1 . 1 50 50 ASP CA C 13 56.3458 0.1 . . . . . . . 368 ASP CA . 50236 1
231 . 1 . 1 50 50 ASP CB C 13 37.8356 0.1 . . . . . . . 368 ASP CB . 50236 1
232 . 1 . 1 50 50 ASP N N 15 121.1086 0.1 . . . . . . . 368 ASP N . 50236 1
233 . 1 . 1 51 51 GLN H H 1 7.1331 0.01 . . . . . . . 369 GLN H . 50236 1
234 . 1 . 1 51 51 GLN C C 13 178.5480 0.1 . . . . . . . 369 GLN C . 50236 1
235 . 1 . 1 51 51 GLN CA C 13 57.6608 0.1 . . . . . . . 369 GLN CA . 50236 1
236 . 1 . 1 51 51 GLN CB C 13 27.7821 0.1 . . . . . . . 369 GLN CB . 50236 1
237 . 1 . 1 51 51 GLN N N 15 123.7379 0.1 . . . . . . . 369 GLN N . 50236 1
238 . 1 . 1 52 52 LEU H H 1 7.1217 0.01 . . . . . . . 370 LEU H . 50236 1
239 . 1 . 1 52 52 LEU C C 13 177.8532 0.1 . . . . . . . 370 LEU C . 50236 1
240 . 1 . 1 52 52 LEU CA C 13 57.3658 0.1 . . . . . . . 370 LEU CA . 50236 1
241 . 1 . 1 52 52 LEU CB C 13 39.3505 0.1 . . . . . . . 370 LEU CB . 50236 1
242 . 1 . 1 52 52 LEU N N 15 121.4620 0.1 . . . . . . . 370 LEU N . 50236 1
243 . 1 . 1 53 53 LYS H H 1 8.3102 0.01 . . . . . . . 371 LYS H . 50236 1
244 . 1 . 1 53 53 LYS C C 13 179.3223 0.1 . . . . . . . 371 LYS C . 50236 1
245 . 1 . 1 53 53 LYS CA C 13 59.1245 0.1 . . . . . . . 371 LYS CA . 50236 1
246 . 1 . 1 53 53 LYS CB C 13 31.1562 0.1 . . . . . . . 371 LYS CB . 50236 1
247 . 1 . 1 53 53 LYS N N 15 119.2323 0.1 . . . . . . . 371 LYS N . 50236 1
248 . 1 . 1 54 54 ARG H H 1 7.7364 0.01 . . . . . . . 372 ARG H . 50236 1
249 . 1 . 1 54 54 ARG C C 13 178.6473 0.1 . . . . . . . 372 ARG C . 50236 1
250 . 1 . 1 54 54 ARG CA C 13 58.9063 0.1 . . . . . . . 372 ARG CA . 50236 1
251 . 1 . 1 54 54 ARG CB C 13 30.2610 0.1 . . . . . . . 372 ARG CB . 50236 1
252 . 1 . 1 54 54 ARG N N 15 118.2355 0.1 . . . . . . . 372 ARG N . 50236 1
253 . 1 . 1 55 55 HIS H H 1 7.5426 0.01 . . . . . . . 373 HIS H . 50236 1
254 . 1 . 1 55 55 HIS C C 13 177.3966 0.1 . . . . . . . 373 HIS C . 50236 1
255 . 1 . 1 55 55 HIS CA C 13 58.6699 0.1 . . . . . . . 373 HIS CA . 50236 1
256 . 1 . 1 55 55 HIS CB C 13 28.4018 0.1 . . . . . . . 373 HIS CB . 50236 1
257 . 1 . 1 55 55 HIS N N 15 119.8331 0.1 . . . . . . . 373 HIS N . 50236 1
258 . 1 . 1 56 56 GLN H H 1 8.6152 0.01 . . . . . . . 374 GLN H . 50236 1
259 . 1 . 1 56 56 GLN C C 13 178.0914 0.1 . . . . . . . 374 GLN C . 50236 1
260 . 1 . 1 56 56 GLN CA C 13 59.1901 0.1 . . . . . . . 374 GLN CA . 50236 1
261 . 1 . 1 56 56 GLN CB C 13 27.9198 0.1 . . . . . . . 374 GLN CB . 50236 1
262 . 1 . 1 56 56 GLN N N 15 116.3378 0.1 . . . . . . . 374 GLN N . 50236 1
263 . 1 . 1 57 57 ARG H H 1 7.2969 0.01 . . . . . . . 375 ARG H . 50236 1
264 . 1 . 1 57 57 ARG C C 13 178.8855 0.1 . . . . . . . 375 ARG C . 50236 1
265 . 1 . 1 57 57 ARG CA C 13 58.6447 0.1 . . . . . . . 375 ARG CA . 50236 1
266 . 1 . 1 57 57 ARG CB C 13 28.3329 0.1 . . . . . . . 375 ARG CB . 50236 1
267 . 1 . 1 57 57 ARG N N 15 117.0152 0.1 . . . . . . . 375 ARG N . 50236 1
268 . 1 . 1 58 58 ARG H H 1 7.7473 0.01 . . . . . . . 376 ARG H . 50236 1
269 . 1 . 1 58 58 ARG C C 13 179.8385 0.1 . . . . . . . 376 ARG C . 50236 1
270 . 1 . 1 58 58 ARG CA C 13 57.4835 0.1 . . . . . . . 376 ARG CA . 50236 1
271 . 1 . 1 58 58 ARG CB C 13 28.1952 0.1 . . . . . . . 376 ARG CB . 50236 1
272 . 1 . 1 58 58 ARG N N 15 119.0155 0.1 . . . . . . . 376 ARG N . 50236 1
273 . 1 . 1 59 59 HIS H H 1 7.1247 0.01 . . . . . . . 377 HIS H . 50236 1
274 . 1 . 1 59 59 HIS C C 13 177.1385 0.1 . . . . . . . 377 HIS C . 50236 1
275 . 1 . 1 59 59 HIS CA C 13 56.0131 0.1 . . . . . . . 377 HIS CA . 50236 1
276 . 1 . 1 59 59 HIS CB C 13 27.8509 0.1 . . . . . . . 377 HIS CB . 50236 1
277 . 1 . 1 59 59 HIS N N 15 115.2169 0.1 . . . . . . . 377 HIS N . 50236 1
278 . 1 . 1 60 60 THR H H 1 7.6473 0.01 . . . . . . . 378 THR H . 50236 1
279 . 1 . 1 60 60 THR C C 13 176.4635 0.1 . . . . . . . 378 THR C . 50236 1
280 . 1 . 1 60 60 THR CA C 13 61.6587 0.1 . . . . . . . 378 THR CA . 50236 1
281 . 1 . 1 60 60 THR CB C 13 69.5110 0.1 . . . . . . . 378 THR CB . 50236 1
282 . 1 . 1 60 60 THR N N 15 106.5150 0.1 . . . . . . . 378 THR N . 50236 1
283 . 1 . 1 61 61 GLY H H 1 8.0048 0.01 . . . . . . . 379 GLY H . 50236 1
284 . 1 . 1 61 61 GLY C C 13 174.3183 0.1 . . . . . . . 379 GLY C . 50236 1
285 . 1 . 1 61 61 GLY CA C 13 45.6665 0.1 . . . . . . . 379 GLY CA . 50236 1
286 . 1 . 1 61 61 GLY N N 15 110.5575 0.1 . . . . . . . 379 GLY N . 50236 1
287 . 1 . 1 62 62 VAL H H 1 7.3135 0.01 . . . . . . . 380 VAL H . 50236 1
288 . 1 . 1 62 62 VAL C C 13 175.3517 0.1 . . . . . . . 380 VAL C . 50236 1
289 . 1 . 1 62 62 VAL CA C 13 62.7747 0.1 . . . . . . . 380 VAL CA . 50236 1
290 . 1 . 1 62 62 VAL CB C 13 31.6382 0.1 . . . . . . . 380 VAL CB . 50236 1
291 . 1 . 1 62 62 VAL N N 15 119.2990 0.1 . . . . . . . 380 VAL N . 50236 1
292 . 1 . 1 63 63 LYS H H 1 8.2112 0.01 . . . . . . . 381 LYS H . 50236 1
293 . 1 . 1 63 63 LYS CA C 13 53.2802 0.1 . . . . . . . 381 LYS CA . 50236 1
294 . 1 . 1 63 63 LYS CB C 13 33.9106 0.1 . . . . . . . 381 LYS CB . 50236 1
295 . 1 . 1 63 63 LYS N N 15 126.1020 0.1 . . . . . . . 381 LYS N . 50236 1
296 . 1 . 1 64 64 PRO C C 13 176.2252 0.1 . . . . . . . 382 PRO C . 50236 1
297 . 1 . 1 64 64 PRO CA C 13 62.5531 0.1 . . . . . . . 382 PRO CA . 50236 1
298 . 1 . 1 65 65 PHE H H 1 7.9777 0.01 . . . . . . . 383 PHE H . 50236 1
299 . 1 . 1 65 65 PHE C C 13 174.1793 0.1 . . . . . . . 383 PHE C . 50236 1
300 . 1 . 1 65 65 PHE CA C 13 56.9361 0.1 . . . . . . . 383 PHE CA . 50236 1
301 . 1 . 1 65 65 PHE CB C 13 38.8685 0.1 . . . . . . . 383 PHE CB . 50236 1
302 . 1 . 1 65 65 PHE N N 15 117.6602 0.1 . . . . . . . 383 PHE N . 50236 1
303 . 1 . 1 66 66 GLN H H 1 8.7513 0.01 . . . . . . . 384 GLN H . 50236 1
304 . 1 . 1 66 66 GLN C C 13 174.3977 0.1 . . . . . . . 384 GLN C . 50236 1
305 . 1 . 1 66 66 GLN CA C 13 53.7432 0.1 . . . . . . . 384 GLN CA . 50236 1
306 . 1 . 1 66 66 GLN CB C 13 30.8119 0.1 . . . . . . . 384 GLN CB . 50236 1
307 . 1 . 1 66 66 GLN N N 15 124.6498 0.1 . . . . . . . 384 GLN N . 50236 1
308 . 1 . 1 67 67 CYS H H 1 9.2182 0.01 . . . . . . . 385 CYS H . 50236 1
309 . 1 . 1 67 67 CYS C C 13 177.0591 0.1 . . . . . . . 385 CYS C . 50236 1
310 . 1 . 1 67 67 CYS CA C 13 59.0161 0.1 . . . . . . . 385 CYS CA . 50236 1
311 . 1 . 1 67 67 CYS CB C 13 29.9856 0.1 . . . . . . . 385 CYS CB . 50236 1
312 . 1 . 1 67 67 CYS N N 15 127.8188 0.1 . . . . . . . 385 CYS N . 50236 1
313 . 1 . 1 68 68 LYS H H 1 9.1571 0.01 . . . . . . . 386 LYS H . 50236 1
314 . 1 . 1 68 68 LYS C C 13 176.9399 0.1 . . . . . . . 386 LYS C . 50236 1
315 . 1 . 1 68 68 LYS CA C 13 57.8034 0.1 . . . . . . . 386 LYS CA . 50236 1
316 . 1 . 1 68 68 LYS CB C 13 30.9496 0.1 . . . . . . . 386 LYS CB . 50236 1
317 . 1 . 1 68 68 LYS N N 15 130.4644 0.1 . . . . . . . 386 LYS N . 50236 1
318 . 1 . 1 69 69 THR H H 1 8.8919 0.01 . . . . . . . 387 THR H . 50236 1
319 . 1 . 1 69 69 THR C C 13 174.7958 0.1 . . . . . . . 387 THR C . 50236 1
320 . 1 . 1 69 69 THR CA C 13 65.2721 0.1 . . . . . . . 387 THR CA . 50236 1
321 . 1 . 1 69 69 THR CB C 13 68.4781 0.1 . . . . . . . 387 THR CB . 50236 1
322 . 1 . 1 69 69 THR N N 15 118.7397 0.1 . . . . . . . 387 THR N . 50236 1
323 . 1 . 1 70 70 CYS H H 1 8.1748 0.01 . . . . . . . 388 CYS H . 50236 1
324 . 1 . 1 70 70 CYS C C 13 174.6955 0.1 . . . . . . . 388 CYS C . 50236 1
325 . 1 . 1 70 70 CYS CA C 13 58.0863 0.1 . . . . . . . 388 CYS CA . 50236 1
326 . 1 . 1 70 70 CYS CB C 13 31.7071 0.1 . . . . . . . 388 CYS CB . 50236 1
327 . 1 . 1 70 70 CYS N N 15 119.2490 0.1 . . . . . . . 388 CYS N . 50236 1
328 . 1 . 1 71 71 GLN H H 1 7.6595 0.01 . . . . . . . 389 GLN H . 50236 1
329 . 1 . 1 71 71 GLN C C 13 175.2723 0.1 . . . . . . . 389 GLN C . 50236 1
330 . 1 . 1 71 71 GLN CA C 13 58.2241 0.1 . . . . . . . 389 GLN CA . 50236 1
331 . 1 . 1 71 71 GLN CB C 13 25.3720 0.1 . . . . . . . 389 GLN CB . 50236 1
332 . 1 . 1 71 71 GLN N N 15 113.0396 0.1 . . . . . . . 389 GLN N . 50236 1
333 . 1 . 1 72 72 ARG H H 1 7.9224 0.01 . . . . . . . 390 ARG H . 50236 1
334 . 1 . 1 72 72 ARG C C 13 174.3381 0.1 . . . . . . . 390 ARG C . 50236 1
335 . 1 . 1 72 72 ARG CA C 13 57.9887 0.1 . . . . . . . 390 ARG CA . 50236 1
336 . 1 . 1 72 72 ARG CB C 13 30.6742 0.1 . . . . . . . 390 ARG CB . 50236 1
337 . 1 . 1 72 72 ARG N N 15 120.0503 0.1 . . . . . . . 390 ARG N . 50236 1
338 . 1 . 1 73 73 LYS H H 1 7.0705 0.01 . . . . . . . 391 LYS H . 50236 1
339 . 1 . 1 73 73 LYS C C 13 174.6359 0.1 . . . . . . . 391 LYS C . 50236 1
340 . 1 . 1 73 73 LYS CA C 13 54.0342 0.1 . . . . . . . 391 LYS CA . 50236 1
341 . 1 . 1 73 73 LYS CB C 13 35.3566 0.1 . . . . . . . 391 LYS CB . 50236 1
342 . 1 . 1 73 73 LYS N N 15 115.3307 0.1 . . . . . . . 391 LYS N . 50236 1
343 . 1 . 1 74 74 PHE H H 1 8.7414 0.01 . . . . . . . 392 PHE H . 50236 1
344 . 1 . 1 74 74 PHE C C 13 175.3517 0.1 . . . . . . . 392 PHE C . 50236 1
345 . 1 . 1 74 74 PHE CA C 13 56.3995 0.1 . . . . . . . 392 PHE CA . 50236 1
346 . 1 . 1 74 74 PHE CB C 13 43.1378 0.1 . . . . . . . 392 PHE CB . 50236 1
347 . 1 . 1 74 74 PHE N N 15 114.7182 0.1 . . . . . . . 392 PHE N . 50236 1
348 . 1 . 1 75 75 SER H H 1 10.0604 0.01 . . . . . . . 393 SER H . 50236 1
349 . 1 . 1 75 75 SER C C 13 173.4249 0.1 . . . . . . . 393 SER C . 50236 1
350 . 1 . 1 75 75 SER CA C 13 59.8947 0.1 . . . . . . . 393 SER CA . 50236 1
351 . 1 . 1 75 75 SER CB C 13 63.9334 0.1 . . . . . . . 393 SER CB . 50236 1
352 . 1 . 1 75 75 SER N N 15 117.2815 0.1 . . . . . . . 393 SER N . 50236 1
353 . 1 . 1 76 76 ARG H H 1 6.6092 0.01 . . . . . . . 394 ARG H . 50236 1
354 . 1 . 1 76 76 ARG C C 13 176.1855 0.1 . . . . . . . 394 ARG C . 50236 1
355 . 1 . 1 76 76 ARG CA C 13 53.7328 0.1 . . . . . . . 394 ARG CA . 50236 1
356 . 1 . 1 76 76 ARG CB C 13 34.7369 0.1 . . . . . . . 394 ARG CB . 50236 1
357 . 1 . 1 76 76 ARG N N 15 114.9608 0.1 . . . . . . . 394 ARG N . 50236 1
358 . 1 . 1 77 77 SER H H 1 8.1869 0.01 . . . . . . . 395 SER H . 50236 1
359 . 1 . 1 77 77 SER C C 13 176.6023 0.1 . . . . . . . 395 SER C . 50236 1
360 . 1 . 1 77 77 SER CA C 13 59.7267 0.1 . . . . . . . 395 SER CA . 50236 1
361 . 1 . 1 77 77 SER CB C 13 61.8676 0.1 . . . . . . . 395 SER CB . 50236 1
362 . 1 . 1 77 77 SER N N 15 118.3205 0.1 . . . . . . . 395 SER N . 50236 1
363 . 1 . 1 78 78 ASP H H 1 8.7033 0.01 . . . . . . . 396 ASP H . 50236 1
364 . 1 . 1 78 78 ASP C C 13 178.6671 0.1 . . . . . . . 396 ASP C . 50236 1
365 . 1 . 1 78 78 ASP CA C 13 55.6902 0.1 . . . . . . . 396 ASP CA . 50236 1
366 . 1 . 1 78 78 ASP CB C 13 37.2158 0.1 . . . . . . . 396 ASP CB . 50236 1
367 . 1 . 1 78 78 ASP N N 15 121.9018 0.1 . . . . . . . 396 ASP N . 50236 1
368 . 1 . 1 79 79 HIS H H 1 6.9424 0.01 . . . . . . . 397 HIS H . 50236 1
369 . 1 . 1 79 79 HIS C C 13 179.2230 0.1 . . . . . . . 397 HIS C . 50236 1
370 . 1 . 1 79 79 HIS CA C 13 56.1454 0.1 . . . . . . . 397 HIS CA . 50236 1
371 . 1 . 1 79 79 HIS CB C 13 30.9496 0.1 . . . . . . . 397 HIS CB . 50236 1
372 . 1 . 1 79 79 HIS N N 15 119.9813 0.1 . . . . . . . 397 HIS N . 50236 1
373 . 1 . 1 80 80 LEU H H 1 6.8056 0.01 . . . . . . . 398 LEU H . 50236 1
374 . 1 . 1 80 80 LEU C C 13 177.5951 0.1 . . . . . . . 398 LEU C . 50236 1
375 . 1 . 1 80 80 LEU CA C 13 57.2273 0.1 . . . . . . . 398 LEU CA . 50236 1
376 . 1 . 1 80 80 LEU CB C 13 39.3505 0.1 . . . . . . . 398 LEU CB . 50236 1
377 . 1 . 1 80 80 LEU N N 15 119.3323 0.1 . . . . . . . 398 LEU N . 50236 1
378 . 1 . 1 81 81 LYS H H 1 8.1766 0.01 . . . . . . . 399 LYS H . 50236 1
379 . 1 . 1 81 81 LYS C C 13 179.4414 0.1 . . . . . . . 399 LYS C . 50236 1
380 . 1 . 1 81 81 LYS CA C 13 59.5689 0.1 . . . . . . . 399 LYS CA . 50236 1
381 . 1 . 1 81 81 LYS CB C 13 30.8119 0.1 . . . . . . . 399 LYS CB . 50236 1
382 . 1 . 1 81 81 LYS N N 15 123.1425 0.1 . . . . . . . 399 LYS N . 50236 1
383 . 1 . 1 82 82 THR H H 1 8.2086 0.01 . . . . . . . 400 THR H . 50236 1
384 . 1 . 1 82 82 THR C C 13 176.5230 0.1 . . . . . . . 400 THR C . 50236 1
385 . 1 . 1 82 82 THR CA C 13 66.2738 0.1 . . . . . . . 400 THR CA . 50236 1
386 . 1 . 1 82 82 THR CB C 13 68.4093 0.1 . . . . . . . 400 THR CB . 50236 1
387 . 1 . 1 82 82 THR N N 15 116.6355 0.1 . . . . . . . 400 THR N . 50236 1
388 . 1 . 1 83 83 HIS H H 1 7.7164 0.01 . . . . . . . 401 HIS H . 50236 1
389 . 1 . 1 83 83 HIS C C 13 178.5877 0.1 . . . . . . . 401 HIS C . 50236 1
390 . 1 . 1 83 83 HIS CA C 13 58.7500 0.1 . . . . . . . 401 HIS CA . 50236 1
391 . 1 . 1 83 83 HIS CB C 13 28.1264 0.1 . . . . . . . 401 HIS CB . 50236 1
392 . 1 . 1 83 83 HIS N N 15 120.0779 0.1 . . . . . . . 401 HIS N . 50236 1
393 . 1 . 1 84 84 THR H H 1 9.0422 0.01 . . . . . . . 402 THR H . 50236 1
394 . 1 . 1 84 84 THR C C 13 175.9274 0.1 . . . . . . . 402 THR C . 50236 1
395 . 1 . 1 84 84 THR CA C 13 66.7933 0.1 . . . . . . . 402 THR CA . 50236 1
396 . 1 . 1 84 84 THR CB C 13 68.8913 0.1 . . . . . . . 402 THR CB . 50236 1
397 . 1 . 1 84 84 THR N N 15 118.0652 0.1 . . . . . . . 402 THR N . 50236 1
398 . 1 . 1 85 85 ARG H H 1 7.2312 0.01 . . . . . . . 403 ARG H . 50236 1
399 . 1 . 1 85 85 ARG C C 13 179.6796 0.1 . . . . . . . 403 ARG C . 50236 1
400 . 1 . 1 85 85 ARG CA C 13 58.7101 0.1 . . . . . . . 403 ARG CA . 50236 1
401 . 1 . 1 85 85 ARG CB C 13 28.1264 0.1 . . . . . . . 403 ARG CB . 50236 1
402 . 1 . 1 85 85 ARG N N 15 118.3982 0.1 . . . . . . . 403 ARG N . 50236 1
403 . 1 . 1 86 86 THR H H 1 8.0518 0.01 . . . . . . . 404 THR H . 50236 1
404 . 1 . 1 86 86 THR C C 13 176.2252 0.1 . . . . . . . 404 THR C . 50236 1
405 . 1 . 1 86 86 THR CA C 13 64.3419 0.1 . . . . . . . 404 THR CA . 50236 1
406 . 1 . 1 86 86 THR CB C 13 68.6159 0.1 . . . . . . . 404 THR CB . 50236 1
407 . 1 . 1 86 86 THR N N 15 112.8041 0.1 . . . . . . . 404 THR N . 50236 1
408 . 1 . 1 87 87 HIS H H 1 7.2525 0.01 . . . . . . . 405 HIS H . 50236 1
409 . 1 . 1 87 87 HIS C C 13 177.2179 0.1 . . . . . . . 405 HIS C . 50236 1
410 . 1 . 1 87 87 HIS CA C 13 55.2435 0.1 . . . . . . . 405 HIS CA . 50236 1
411 . 1 . 1 87 87 HIS CB C 13 28.6772 0.1 . . . . . . . 405 HIS CB . 50236 1
412 . 1 . 1 87 87 HIS N N 15 117.3057 0.1 . . . . . . . 405 HIS N . 50236 1
413 . 1 . 1 88 88 THR H H 1 8.0142 0.01 . . . . . . . 406 THR H . 50236 1
414 . 1 . 1 88 88 THR C C 13 176.9796 0.1 . . . . . . . 406 THR C . 50236 1
415 . 1 . 1 88 88 THR CA C 13 62.1238 0.1 . . . . . . . 406 THR CA . 50236 1
416 . 1 . 1 88 88 THR CB C 13 70.1308 0.1 . . . . . . . 406 THR CB . 50236 1
417 . 1 . 1 88 88 THR N N 15 107.9567 0.1 . . . . . . . 406 THR N . 50236 1
418 . 1 . 1 89 89 GLY H H 1 8.0205 0.01 . . . . . . . 407 GLY H . 50236 1
419 . 1 . 1 89 89 GLY C C 13 174.3183 0.1 . . . . . . . 407 GLY C . 50236 1
420 . 1 . 1 89 89 GLY CA C 13 45.3803 0.1 . . . . . . . 407 GLY CA . 50236 1
421 . 1 . 1 89 89 GLY N N 15 109.5115 0.1 . . . . . . . 407 GLY N . 50236 1
422 . 1 . 1 90 90 GLU H H 1 7.4886 0.01 . . . . . . . 408 GLU H . 50236 1
423 . 1 . 1 90 90 GLU C C 13 176.3841 0.1 . . . . . . . 408 GLU C . 50236 1
424 . 1 . 1 90 90 GLU CA C 13 56.9859 0.1 . . . . . . . 408 GLU CA . 50236 1
425 . 1 . 1 90 90 GLU CB C 13 30.3299 0.1 . . . . . . . 408 GLU CB . 50236 1
426 . 1 . 1 90 90 GLU N N 15 120.5785 0.1 . . . . . . . 408 GLU N . 50236 1
427 . 1 . 1 91 91 LYS H H 1 8.3262 0.01 . . . . . . . 409 LYS H . 50236 1
428 . 1 . 1 91 91 LYS CA C 13 53.1859 0.1 . . . . . . . 409 LYS CA . 50236 1
429 . 1 . 1 91 91 LYS CB C 13 33.5663 0.1 . . . . . . . 409 LYS CB . 50236 1
430 . 1 . 1 91 91 LYS N N 15 123.2768 0.1 . . . . . . . 409 LYS N . 50236 1
431 . 1 . 1 92 92 PRO C C 13 176.7017 0.1 . . . . . . . 410 PRO C . 50236 1
432 . 1 . 1 92 92 PRO CA C 13 62.8035 0.1 . . . . . . . 410 PRO CA . 50236 1
433 . 1 . 1 93 93 PHE H H 1 7.9165 0.01 . . . . . . . 411 PHE H . 50236 1
434 . 1 . 1 93 93 PHE C C 13 175.1135 0.1 . . . . . . . 411 PHE C . 50236 1
435 . 1 . 1 93 93 PHE CA C 13 57.2581 0.1 . . . . . . . 411 PHE CA . 50236 1
436 . 1 . 1 93 93 PHE CB C 13 38.9373 0.1 . . . . . . . 411 PHE CB . 50236 1
437 . 1 . 1 93 93 PHE N N 15 118.0379 0.1 . . . . . . . 411 PHE N . 50236 1
438 . 1 . 1 94 94 SER H H 1 8.5905 0.01 . . . . . . . 412 SER H . 50236 1
439 . 1 . 1 94 94 SER C C 13 172.9286 0.1 . . . . . . . 412 SER C . 50236 1
440 . 1 . 1 94 94 SER CA C 13 57.1866 0.1 . . . . . . . 412 SER CA . 50236 1
441 . 1 . 1 94 94 SER CB C 13 65.0352 0.1 . . . . . . . 412 SER CB . 50236 1
442 . 1 . 1 94 94 SER N N 15 118.7696 0.1 . . . . . . . 412 SER N . 50236 1
443 . 1 . 1 95 95 CYS H H 1 8.4920 0.01 . . . . . . . 413 CYS H . 50236 1
444 . 1 . 1 95 95 CYS C C 13 178.0517 0.1 . . . . . . . 413 CYS C . 50236 1
445 . 1 . 1 95 95 CYS CA C 13 60.2963 0.1 . . . . . . . 413 CYS CA . 50236 1
446 . 1 . 1 95 95 CYS CB C 13 30.2610 0.1 . . . . . . . 413 CYS CB . 50236 1
447 . 1 . 1 95 95 CYS N N 15 125.7643 0.1 . . . . . . . 413 CYS N . 50236 1
448 . 1 . 1 96 96 ARG H H 1 7.6095 0.01 . . . . . . . 414 ARG H . 50236 1
449 . 1 . 1 96 96 ARG C C 13 177.1980 0.1 . . . . . . . 414 ARG C . 50236 1
450 . 1 . 1 96 96 ARG CA C 13 58.9066 0.1 . . . . . . . 414 ARG CA . 50236 1
451 . 1 . 1 96 96 ARG CB C 13 27.7821 0.1 . . . . . . . 414 ARG CB . 50236 1
452 . 1 . 1 96 96 ARG N N 15 118.3509 0.1 . . . . . . . 414 ARG N . 50236 1
453 . 1 . 1 97 97 TRP H H 1 9.7552 0.01 . . . . . . . 415 TRP H . 50236 1
454 . 1 . 1 97 97 TRP CA C 13 56.5993 0.1 . . . . . . . 415 TRP CA . 50236 1
455 . 1 . 1 97 97 TRP CB C 13 27.9198 0.1 . . . . . . . 415 TRP CB . 50236 1
456 . 1 . 1 97 97 TRP N N 15 129.7326 0.1 . . . . . . . 415 TRP N . 50236 1
457 . 1 . 1 98 98 PRO C C 13 177.6348 0.1 . . . . . . . 416 PRO C . 50236 1
458 . 1 . 1 99 99 SER H H 1 8.3215 0.01 . . . . . . . 417 SER H . 50236 1
459 . 1 . 1 99 99 SER C C 13 173.3455 0.1 . . . . . . . 417 SER C . 50236 1
460 . 1 . 1 99 99 SER CA C 13 59.2258 0.1 . . . . . . . 417 SER CA . 50236 1
461 . 1 . 1 99 99 SER N N 15 112.1689 0.1 . . . . . . . 417 SER N . 50236 1
462 . 1 . 1 100 100 CYS H H 1 8.1685 0.01 . . . . . . . 418 CYS H . 50236 1
463 . 1 . 1 100 100 CYS CA C 13 60.2251 0.1 . . . . . . . 418 CYS CA . 50236 1
464 . 1 . 1 100 100 CYS CB C 13 31.0873 0.1 . . . . . . . 418 CYS CB . 50236 1
465 . 1 . 1 100 100 CYS N N 15 125.3703 0.1 . . . . . . . 418 CYS N . 50236 1
466 . 1 . 1 101 101 GLN C C 13 175.7885 0.1 . . . . . . . 419 GLN C . 50236 1
467 . 1 . 1 101 101 GLN CA C 13 55.9616 0.1 . . . . . . . 419 GLN CA . 50236 1
468 . 1 . 1 101 101 GLN CB C 13 29.5724 0.1 . . . . . . . 419 GLN CB . 50236 1
469 . 1 . 1 102 102 LYS H H 1 8.1606 0.01 . . . . . . . 420 LYS H . 50236 1
470 . 1 . 1 102 102 LYS C C 13 174.8355 0.1 . . . . . . . 420 LYS C . 50236 1
471 . 1 . 1 102 102 LYS CA C 13 57.4172 0.1 . . . . . . . 420 LYS CA . 50236 1
472 . 1 . 1 102 102 LYS CB C 13 32.1891 0.1 . . . . . . . 420 LYS CB . 50236 1
473 . 1 . 1 102 102 LYS N N 15 122.0016 0.1 . . . . . . . 420 LYS N . 50236 1
474 . 1 . 1 103 103 LYS H H 1 7.3201 0.01 . . . . . . . 421 LYS H . 50236 1
475 . 1 . 1 103 103 LYS C C 13 175.1135 0.1 . . . . . . . 421 LYS C . 50236 1
476 . 1 . 1 103 103 LYS CA C 13 53.9027 0.1 . . . . . . . 421 LYS CA . 50236 1
477 . 1 . 1 103 103 LYS CB C 13 34.7369 0.1 . . . . . . . 421 LYS CB . 50236 1
478 . 1 . 1 103 103 LYS N N 15 118.5435 0.1 . . . . . . . 421 LYS N . 50236 1
479 . 1 . 1 104 104 PHE H H 1 8.8731 0.01 . . . . . . . 422 PHE H . 50236 1
480 . 1 . 1 104 104 PHE C C 13 174.8355 0.1 . . . . . . . 422 PHE C . 50236 1
481 . 1 . 1 104 104 PHE CA C 13 56.7468 0.1 . . . . . . . 422 PHE CA . 50236 1
482 . 1 . 1 104 104 PHE CB C 13 43.4821 0.1 . . . . . . . 422 PHE CB . 50236 1
483 . 1 . 1 104 104 PHE N N 15 115.8643 0.1 . . . . . . . 422 PHE N . 50236 1
484 . 1 . 1 105 105 ALA H H 1 9.3097 0.01 . . . . . . . 423 ALA H . 50236 1
485 . 1 . 1 105 105 ALA C C 13 176.8605 0.1 . . . . . . . 423 ALA C . 50236 1
486 . 1 . 1 105 105 ALA CA C 13 53.6008 0.1 . . . . . . . 423 ALA CA . 50236 1
487 . 1 . 1 105 105 ALA CB C 13 20.2763 0.1 . . . . . . . 423 ALA CB . 50236 1
488 . 1 . 1 105 105 ALA N N 15 122.9499 0.1 . . . . . . . 423 ALA N . 50236 1
489 . 1 . 1 106 106 ARG H H 1 7.6025 0.01 . . . . . . . 424 ARG H . 50236 1
490 . 1 . 1 106 106 ARG C C 13 176.4833 0.1 . . . . . . . 424 ARG C . 50236 1
491 . 1 . 1 106 106 ARG CA C 13 53.6805 0.1 . . . . . . . 424 ARG CA . 50236 1
492 . 1 . 1 106 106 ARG CB C 13 35.4255 0.1 . . . . . . . 424 ARG CB . 50236 1
493 . 1 . 1 106 106 ARG N N 15 113.8348 0.1 . . . . . . . 424 ARG N . 50236 1
494 . 1 . 1 107 107 SER H H 1 8.3279 0.01 . . . . . . . 425 SER H . 50236 1
495 . 1 . 1 107 107 SER C C 13 176.6421 0.1 . . . . . . . 425 SER C . 50236 1
496 . 1 . 1 107 107 SER CA C 13 59.6552 0.1 . . . . . . . 425 SER CA . 50236 1
497 . 1 . 1 107 107 SER CB C 13 62.0742 0.1 . . . . . . . 425 SER CB . 50236 1
498 . 1 . 1 107 107 SER N N 15 117.9213 0.1 . . . . . . . 425 SER N . 50236 1
499 . 1 . 1 108 108 ASP H H 1 8.1403 0.01 . . . . . . . 426 ASP H . 50236 1
500 . 1 . 1 108 108 ASP C C 13 179.1833 0.1 . . . . . . . 426 ASP C . 50236 1
501 . 1 . 1 108 108 ASP CA C 13 55.8248 0.1 . . . . . . . 426 ASP CA . 50236 1
502 . 1 . 1 108 108 ASP CB C 13 37.1470 0.1 . . . . . . . 426 ASP CB . 50236 1
503 . 1 . 1 108 108 ASP N N 15 120.3724 0.1 . . . . . . . 426 ASP N . 50236 1
504 . 1 . 1 109 109 GLU H H 1 7.3264 0.01 . . . . . . . 427 GLU H . 50236 1
505 . 1 . 1 109 109 GLU C C 13 178.7061 0.1 . . . . . . . 427 GLU C . 50236 1
506 . 1 . 1 109 109 GLU CA C 13 58.3375 0.1 . . . . . . . 427 GLU CA . 50236 1
507 . 1 . 1 109 109 GLU CB C 13 30.3987 0.1 . . . . . . . 427 GLU CB . 50236 1
508 . 1 . 1 109 109 GLU N N 15 122.7247 0.1 . . . . . . . 427 GLU N . 50236 1
509 . 1 . 1 110 110 LEU H H 1 6.8876 0.01 . . . . . . . 428 LEU H . 50236 1
510 . 1 . 1 110 110 LEU C C 13 177.3966 0.1 . . . . . . . 428 LEU C . 50236 1
511 . 1 . 1 110 110 LEU CA C 13 57.1472 0.1 . . . . . . . 428 LEU CA . 50236 1
512 . 1 . 1 110 110 LEU CB C 13 39.3505 0.1 . . . . . . . 428 LEU CB . 50236 1
513 . 1 . 1 110 110 LEU N N 15 120.4607 0.1 . . . . . . . 428 LEU N . 50236 1
514 . 1 . 1 111 111 VAL H H 1 7.9089 0.01 . . . . . . . 429 VAL H . 50236 1
515 . 1 . 1 111 111 VAL C C 13 178.8458 0.1 . . . . . . . 429 VAL C . 50236 1
516 . 1 . 1 111 111 VAL CA C 13 66.3343 0.1 . . . . . . . 429 VAL CA . 50236 1
517 . 1 . 1 111 111 VAL CB C 13 30.8807 0.1 . . . . . . . 429 VAL CB . 50236 1
518 . 1 . 1 111 111 VAL N N 15 119.8408 0.1 . . . . . . . 429 VAL N . 50236 1
519 . 1 . 1 112 112 ARG H H 1 7.4361 0.01 . . . . . . . 430 ARG H . 50236 1
520 . 1 . 1 112 112 ARG C C 13 178.0914 0.1 . . . . . . . 430 ARG C . 50236 1
521 . 1 . 1 112 112 ARG CA C 13 59.1026 0.1 . . . . . . . 430 ARG CA . 50236 1
522 . 1 . 1 112 112 ARG CB C 13 29.5724 0.1 . . . . . . . 430 ARG CB . 50236 1
523 . 1 . 1 112 112 ARG N N 15 117.1430 0.1 . . . . . . . 430 ARG N . 50236 1
524 . 1 . 1 113 113 HIS H H 1 7.2969 0.01 . . . . . . . 431 HIS H . 50236 1
525 . 1 . 1 113 113 HIS C C 13 177.8136 0.1 . . . . . . . 431 HIS C . 50236 1
526 . 1 . 1 113 113 HIS CA C 13 58.6447 0.1 . . . . . . . 431 HIS CA . 50236 1
527 . 1 . 1 113 113 HIS CB C 13 28.1264 0.1 . . . . . . . 431 HIS CB . 50236 1
528 . 1 . 1 113 113 HIS N N 15 117.0152 0.1 . . . . . . . 431 HIS N . 50236 1
529 . 1 . 1 114 114 HIS H H 1 9.0484 0.01 . . . . . . . 432 HIS H . 50236 1
530 . 1 . 1 114 114 HIS C C 13 178.0517 0.1 . . . . . . . 432 HIS C . 50236 1
531 . 1 . 1 114 114 HIS CA C 13 58.3207 0.1 . . . . . . . 432 HIS CA . 50236 1
532 . 1 . 1 114 114 HIS CB C 13 28.9257 0.1 . . . . . . . 432 HIS CB . 50236 1
533 . 1 . 1 114 114 HIS N N 15 119.4157 0.1 . . . . . . . 432 HIS N . 50236 1
534 . 1 . 1 115 115 ASN H H 1 7.7042 0.01 . . . . . . . 433 ASN H . 50236 1
535 . 1 . 1 115 115 ASN C C 13 175.4708 0.1 . . . . . . . 433 ASN C . 50236 1
536 . 1 . 1 115 115 ASN CA C 13 54.2352 0.1 . . . . . . . 433 ASN CA . 50236 1
537 . 1 . 1 115 115 ASN CB C 13 37.9044 0.1 . . . . . . . 433 ASN CB . 50236 1
538 . 1 . 1 115 115 ASN N N 15 115.3474 0.1 . . . . . . . 433 ASN N . 50236 1
539 . 1 . 1 116 116 MET H H 1 7.6555 0.01 . . . . . . . 434 MET H . 50236 1
540 . 1 . 1 116 116 MET C C 13 176.3642 0.1 . . . . . . . 434 MET C . 50236 1
541 . 1 . 1 116 116 MET CA C 13 55.0400 0.1 . . . . . . . 434 MET CA . 50236 1
542 . 1 . 1 116 116 MET CB C 13 31.7759 0.1 . . . . . . . 434 MET CB . 50236 1
543 . 1 . 1 116 116 MET N N 15 117.3929 0.1 . . . . . . . 434 MET N . 50236 1
544 . 1 . 1 117 117 HIS H H 1 6.8504 0.01 . . . . . . . 435 HIS H . 50236 1
545 . 1 . 1 117 117 HIS CA C 13 58.0882 0.1 . . . . . . . 435 HIS CA . 50236 1
546 . 1 . 1 117 117 HIS CB C 13 28.1264 0.1 . . . . . . . 435 HIS CB . 50236 1
547 . 1 . 1 117 117 HIS N N 15 124.4415 0.1 . . . . . . . 435 HIS N . 50236 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_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50236
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'WT1(-KTS)-RNA complex, RNA component'
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
14 '3D HCCH-COSY' . . . 50236 2
15 '3D HMQC-NOESY' . . . 50236 2
16 '2D 1H-13C HSQC' . . . 50236 2
17 '2D 1H-13C HMQC' . . . 50236 2
18 '2D 13C[F1,F2]filtered NOESY' . . . 50236 2
19 '2D 1H-15N HSQC' . . . 50236 2
20 '3D 1H-15N NOESY' . . . 50236 2
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
2 $software_2 . . 50236 2
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 . 2 . 2 1 1 G H1' H 1 5.834 0.01 . 1 . . . . . 1 G H1' . 50236 2
2 . 2 . 2 1 1 G H2' H 1 4.929 0.01 . 1 . . . . . 1 G H2' . 50236 2
3 . 2 . 2 1 1 G H8 H 1 8.008 0.01 . 1 . . . . . 1 G H8 . 50236 2
4 . 2 . 2 1 1 G C1' C 13 92.913 0.1 . 1 . . . . . 1 G C1' . 50236 2
5 . 2 . 2 1 1 G C2' C 13 76.182 0.1 . 1 . . . . . 1 G C2' . 50236 2
6 . 2 . 2 1 1 G C8 C 13 136.771 0.1 . 1 . . . . . 1 G C8 . 50236 2
7 . 2 . 2 2 2 G H1' H 1 5.891 0.01 . 1 . . . . . 2 G H1' . 50236 2
8 . 2 . 2 2 2 G H2' H 1 4.633 0.01 . 1 . . . . . 2 G H2' . 50236 2
9 . 2 . 2 2 2 G H3' H 1 4.242 0.01 . 1 . . . . . 2 G H3' . 50236 2
10 . 2 . 2 2 2 G H8 H 1 7.504 0.01 . 1 . . . . . 2 G H8 . 50236 2
11 . 2 . 2 2 2 G C1' C 13 93.555 0.1 . 1 . . . . . 2 G C1' . 50236 2
12 . 2 . 2 2 2 G C2' C 13 71.949 0.1 . 1 . . . . . 2 G C2' . 50236 2
13 . 2 . 2 2 2 G C3' C 13 73.725 0.1 . 1 . . . . . 2 G C3' . 50236 2
14 . 2 . 2 2 2 G C8 C 13 136.504 0.1 . 1 . . . . . 2 G C8 . 50236 2
15 . 2 . 2 3 3 G H1' H 1 5.756 0.01 . 1 . . . . . 3 G H1' . 50236 2
16 . 2 . 2 3 3 G H2' H 1 3.828 0.01 . 1 . . . . . 3 G H2' . 50236 2
17 . 2 . 2 3 3 G H4' H 1 4.381 0.01 . 1 . . . . . 3 G H4' . 50236 2
18 . 2 . 2 3 3 G H8 H 1 7.301 0.01 . 1 . . . . . 3 G H8 . 50236 2
19 . 2 . 2 3 3 G C1' C 13 91.927 0.1 . 1 . . . . . 3 G C1' . 50236 2
20 . 2 . 2 3 3 G C2' C 13 76.710 0.1 . 1 . . . . . 3 G C2' . 50236 2
21 . 2 . 2 3 3 G C4' C 13 82.003 0.1 . 1 . . . . . 3 G C4' . 50236 2
22 . 2 . 2 3 3 G C8 C 13 135.893 0.1 . 1 . . . . . 3 G C8 . 50236 2
23 . 2 . 2 4 4 C H2' H 1 4.457 0.01 . 1 . . . . . 4 C H2' . 50236 2
24 . 2 . 2 4 4 C H4' H 1 4.480 0.01 . 1 . . . . . 4 C H4' . 50236 2
25 . 2 . 2 4 4 C H5 H 1 5.274 0.01 . 1 . . . . . 4 C H5 . 50236 2
26 . 2 . 2 4 4 C C4' C 13 82.400 0.1 . 1 . . . . . 4 C C4' . 50236 2
27 . 2 . 2 4 4 C C5 C 13 97.384 0.1 . 1 . . . . . 4 C C5 . 50236 2
28 . 2 . 2 5 5 C H1' H 1 5.511 0.01 . 1 . . . . . 5 C H1' . 50236 2
29 . 2 . 2 5 5 C H5 H 1 5.358 0.01 . 1 . . . . . 5 C H5 . 50236 2
30 . 2 . 2 5 5 C H6 H 1 7.874 0.01 . 1 . . . . . 5 C H6 . 50236 2
31 . 2 . 2 5 5 C C1' C 13 93.800 0.1 . 1 . . . . . 5 C C1' . 50236 2
32 . 2 . 2 5 5 C C5 C 13 97.739 0.1 . 1 . . . . . 5 C C5 . 50236 2
33 . 2 . 2 5 5 C C6 C 13 143.081 0.1 . 1 . . . . . 5 C C6 . 50236 2
34 . 2 . 2 6 6 A H1' H 1 5.923 0.01 . 1 . . . . . 6 A H1' . 50236 2
35 . 2 . 2 6 6 A H2 H 1 7.386 0.01 . 1 . . . . . 6 A H2 . 50236 2
36 . 2 . 2 6 6 A H2' H 1 4.713 0.01 . 1 . . . . . 6 A H2' . 50236 2
37 . 2 . 2 6 6 A H3' H 1 4.536 0.01 . 1 . . . . . 6 A H3' . 50236 2
38 . 2 . 2 6 6 A H4' H 1 4.487 0.01 . 1 . . . . . 6 A H4' . 50236 2
39 . 2 . 2 6 6 A H8 H 1 8.148 0.01 . 1 . . . . . 6 A H8 . 50236 2
40 . 2 . 2 6 6 A C1' C 13 92.313 0.1 . 1 . . . . . 6 A C1' . 50236 2
41 . 2 . 2 6 6 A C2 C 13 153.266 0.1 . 1 . . . . . 6 A C2 . 50236 2
42 . 2 . 2 6 6 A C2' C 13 75.612 0.1 . 1 . . . . . 6 A C2' . 50236 2
43 . 2 . 2 6 6 A C3' C 13 73.715 0.1 . 1 . . . . . 6 A C3' . 50236 2
44 . 2 . 2 6 6 A C4' C 13 82.359 0.1 . 1 . . . . . 6 A C4' . 50236 2
45 . 2 . 2 6 6 A C8 C 13 140.024 0.1 . 1 . . . . . 6 A C8 . 50236 2
46 . 2 . 2 7 7 C H1' H 1 5.265 0.01 . 1 . . . . . 7 C H1' . 50236 2
47 . 2 . 2 7 7 C H2' H 1 4.180 0.01 . 1 . . . . . 7 C H2' . 50236 2
48 . 2 . 2 7 7 C H3' H 1 4.280 0.01 . 9 . . . . . 7 C H3' . 50236 2
49 . 2 . 2 7 7 C H4' H 1 4.480 0.01 . 1 . . . . . 7 C H4' . 50236 2
50 . 2 . 2 7 7 C H5 H 1 5.183 0.01 . 1 . . . . . 7 C H5 . 50236 2
51 . 2 . 2 7 7 C H6 H 1 7.456 0.01 . 1 . . . . . 7 C H6 . 50236 2
52 . 2 . 2 7 7 C C1' C 13 94.689 0.1 . 1 . . . . . 7 C C1' . 50236 2
53 . 2 . 2 7 7 C C2' C 13 75.600 0.1 . 1 . . . . . 7 C C2' . 50236 2
54 . 2 . 2 7 7 C C3' C 13 75.000 0.1 . 1 . . . . . 7 C C3' . 50236 2
55 . 2 . 2 7 7 C C4' C 13 82.400 0.1 . 1 . . . . . 7 C C4' . 50236 2
56 . 2 . 2 7 7 C C5 C 13 97.706 0.1 . 1 . . . . . 7 C C5 . 50236 2
57 . 2 . 2 7 7 C C6 C 13 141.106 0.1 . 1 . . . . . 7 C C6 . 50236 2
58 . 2 . 2 8 8 C H1' H 1 5.544 0.01 . 1 . . . . . 8 C H1' . 50236 2
59 . 2 . 2 8 8 C H2' H 1 4.556 0.01 . 1 . . . . . 8 C H2' . 50236 2
60 . 2 . 2 8 8 C H3' H 1 4.470 0.01 . 1 . . . . . 8 C H3' . 50236 2
61 . 2 . 2 8 8 C H4' H 1 4.370 0.01 . 1 . . . . . 8 C H4' . 50236 2
62 . 2 . 2 8 8 C H6 H 1 8.023 0.01 . 1 . . . . . 8 C H6 . 50236 2
63 . 2 . 2 8 8 C C1' C 13 93.700 0.1 . 1 . . . . . 8 C C1' . 50236 2
64 . 2 . 2 8 8 C C2' C 13 75.400 0.1 . 1 . . . . . 8 C C2' . 50236 2
65 . 2 . 2 8 8 C C3' C 13 72.900 0.1 . 1 . . . . . 8 C C3' . 50236 2
66 . 2 . 2 8 8 C C4' C 13 82.100 0.1 . 1 . . . . . 8 C C4' . 50236 2
67 . 2 . 2 8 8 C C6 C 13 141.780 0.1 . 1 . . . . . 8 C C6 . 50236 2
68 . 2 . 2 9 9 A H1' H 1 5.972 0.01 . 1 . . . . . 9 A H1' . 50236 2
69 . 2 . 2 9 9 A H2 H 1 6.647 0.01 . 1 . . . . . 9 A H2 . 50236 2
70 . 2 . 2 9 9 A H2' H 1 4.836 0.01 . 1 . . . . . 9 A H2' . 50236 2
71 . 2 . 2 9 9 A H3' H 1 4.626 0.01 . 1 . . . . . 9 A H3' . 50236 2
72 . 2 . 2 9 9 A H4' H 1 4.554 0.01 . 1 . . . . . 9 A H4' . 50236 2
73 . 2 . 2 9 9 A H8 H 1 7.922 0.01 . 1 . . . . . 9 A H8 . 50236 2
74 . 2 . 2 9 9 A C1' C 13 91.774 0.1 . 1 . . . . . 9 A C1' . 50236 2
75 . 2 . 2 9 9 A C2 C 13 151.814 0.1 . 1 . . . . . 9 A C2 . 50236 2
76 . 2 . 2 9 9 A C2' C 13 75.672 0.1 . 1 . . . . . 9 A C2' . 50236 2
77 . 2 . 2 9 9 A C3' C 13 74.592 0.1 . 1 . . . . . 9 A C3' . 50236 2
78 . 2 . 2 9 9 A C4' C 13 82.869 0.1 . 1 . . . . . 9 A C4' . 50236 2
79 . 2 . 2 9 9 A C8 C 13 140.067 0.1 . 1 . . . . . 9 A C8 . 50236 2
80 . 2 . 2 10 10 A H1' H 1 5.991 0.01 . 1 . . . . . 10 A H1' . 50236 2
81 . 2 . 2 10 10 A H2 H 1 7.769 0.01 . 1 . . . . . 10 A H2 . 50236 2
82 . 2 . 2 10 10 A H2' H 1 4.651 0.01 . 1 . . . . . 10 A H2' . 50236 2
83 . 2 . 2 10 10 A H3' H 1 3.944 0.01 . 1 . . . . . 10 A H3' . 50236 2
84 . 2 . 2 10 10 A H4' H 1 4.556 0.01 . 1 . . . . . 10 A H4' . 50236 2
85 . 2 . 2 10 10 A H8 H 1 7.277 0.01 . 1 . . . . . 10 A H8 . 50236 2
86 . 2 . 2 10 10 A C1' C 13 93.276 0.1 . 1 . . . . . 10 A C1' . 50236 2
87 . 2 . 2 10 10 A C2 C 13 153.417 0.1 . 1 . . . . . 10 A C2 . 50236 2
88 . 2 . 2 10 10 A C2' C 13 75.508 0.1 . 1 . . . . . 10 A C2' . 50236 2
89 . 2 . 2 10 10 A C3' C 13 73.490 0.1 . 1 . . . . . 10 A C3' . 50236 2
90 . 2 . 2 10 10 A C4' C 13 82.515 0.1 . 1 . . . . . 10 A C4' . 50236 2
91 . 2 . 2 10 10 A C8 C 13 138.870 0.1 . 1 . . . . . 10 A C8 . 50236 2
92 . 2 . 2 11 11 C H1' H 1 4.900 0.01 . 1 . . . . . 11 C H1' . 50236 2
93 . 2 . 2 11 11 C H2' H 1 4.315 0.01 . 1 . . . . . 11 C H2' . 50236 2
94 . 2 . 2 11 11 C H3' H 1 4.281 0.01 . 1 . . . . . 11 C H3' . 50236 2
95 . 2 . 2 11 11 C H4' H 1 4.403 0.01 . 1 . . . . . 11 C H4' . 50236 2
96 . 2 . 2 11 11 C H5 H 1 5.044 0.01 . 1 . . . . . 11 C H5 . 50236 2
97 . 2 . 2 11 11 C H6 H 1 6.830 0.01 . 1 . . . . . 11 C H6 . 50236 2
98 . 2 . 2 11 11 C C1' C 13 93.988 0.1 . 1 . . . . . 11 C C1' . 50236 2
99 . 2 . 2 11 11 C C5 C 13 97.574 0.1 . 1 . . . . . 11 C C5 . 50236 2
100 . 2 . 2 11 11 C C6 C 13 139.150 0.1 . 1 . . . . . 11 C C6 . 50236 2
101 . 2 . 2 12 12 G H1' H 1 5.822 0.01 . 1 . . . . . 12 G H1' . 50236 2
102 . 2 . 2 12 12 G H2' H 1 4.373 0.01 . 1 . . . . . 12 G H2' . 50236 2
103 . 2 . 2 12 12 G H3' H 1 4.587 0.01 . 1 . . . . . 12 G H3' . 50236 2
104 . 2 . 2 12 12 G H8 H 1 7.490 0.01 . 1 . . . . . 12 G H8 . 50236 2
105 . 2 . 2 12 12 G C1' C 13 92.863 0.1 . 1 . . . . . 12 G C1' . 50236 2
106 . 2 . 2 12 12 G C2' C 13 73.085 0.1 . 1 . . . . . 12 G C2' . 50236 2
107 . 2 . 2 12 12 G C3' C 13 72.324 0.1 . 1 . . . . . 12 G C3' . 50236 2
108 . 2 . 2 12 12 G C8 C 13 136.546 0.1 . 1 . . . . . 12 G C8 . 50236 2
109 . 2 . 2 13 13 A H1' H 1 5.689 0.01 . 1 . . . . . 13 A H1' . 50236 2
110 . 2 . 2 13 13 A H2 H 1 7.561 0.01 . 1 . . . . . 13 A H2 . 50236 2
111 . 2 . 2 13 13 A H2' H 1 4.054 0.01 . 1 . . . . . 13 A H2' . 50236 2
112 . 2 . 2 13 13 A H3' H 1 4.591 0.01 . 1 . . . . . 13 A H3' . 50236 2
113 . 2 . 2 13 13 A H4' H 1 4.369 0.01 . 1 . . . . . 13 A H4' . 50236 2
114 . 2 . 2 13 13 A H8 H 1 7.741 0.01 . 1 . . . . . 13 A H8 . 50236 2
115 . 2 . 2 13 13 A C1' C 13 93.067 0.1 . 1 . . . . . 13 A C1' . 50236 2
116 . 2 . 2 13 13 A C2 C 13 154.927 0.1 . 1 . . . . . 13 A C2 . 50236 2
117 . 2 . 2 13 13 A C2' C 13 76.577 0.1 . 1 . . . . . 13 A C2' . 50236 2
118 . 2 . 2 13 13 A C3' C 13 72.306 0.1 . 1 . . . . . 13 A C3' . 50236 2
119 . 2 . 2 13 13 A C4' C 13 83.050 0.1 . 1 . . . . . 13 A C4' . 50236 2
120 . 2 . 2 13 13 A C8 C 13 139.184 0.1 . 1 . . . . . 13 A C8 . 50236 2
121 . 2 . 2 14 14 C H1' H 1 5.646 0.01 . 1 . . . . . 14 C H1' . 50236 2
122 . 2 . 2 14 14 C H2' H 1 4.060 0.01 . 1 . . . . . 14 C H2' . 50236 2
123 . 2 . 2 14 14 C H3' H 1 4.530 0.01 . 1 . . . . . 14 C H3' . 50236 2
124 . 2 . 2 14 14 C H4' H 1 4.168 0.01 . 1 . . . . . 14 C H4' . 50236 2
125 . 2 . 2 14 14 C H5 H 1 5.440 0.01 . 1 . . . . . 14 C H5 . 50236 2
126 . 2 . 2 14 14 C H5' H 1 4.542 0.01 . 2 . . . . . 14 C H5' . 50236 2
127 . 2 . 2 14 14 C H5'' H 1 4.029 0.01 . 2 . . . . . 14 C H5'' . 50236 2
128 . 2 . 2 14 14 C H6 H 1 7.369 0.01 . 1 . . . . . 14 C H6 . 50236 2
129 . 2 . 2 14 14 C C1' C 13 89.845 0.1 . 1 . . . . . 14 C C1' . 50236 2
130 . 2 . 2 14 14 C C2' C 13 76.180 0.1 . 1 . . . . . 14 C C2' . 50236 2
131 . 2 . 2 14 14 C C3' C 13 78.203 0.1 . 1 . . . . . 14 C C3' . 50236 2
132 . 2 . 2 14 14 C C4' C 13 84.915 0.1 . 1 . . . . . 14 C C4' . 50236 2
133 . 2 . 2 14 14 C C5 C 13 98.934 0.1 . 1 . . . . . 14 C C5 . 50236 2
134 . 2 . 2 14 14 C C5' C 13 64.178 0.1 . 1 . . . . . 14 C C5' . 50236 2
135 . 2 . 2 14 14 C C6 C 13 142.214 0.1 . 1 . . . . . 14 C C6 . 50236 2
136 . 2 . 2 15 15 A H1' H 1 6.068 0.01 . 1 . . . . . 15 A H1' . 50236 2
137 . 2 . 2 15 15 A H2 H 1 8.226 0.01 . 1 . . . . . 15 A H2 . 50236 2
138 . 2 . 2 15 15 A H2' H 1 4.763 0.01 . 1 . . . . . 15 A H2' . 50236 2
139 . 2 . 2 15 15 A H3' H 1 4.647 0.01 . 1 . . . . . 15 A H3' . 50236 2
140 . 2 . 2 15 15 A H4' H 1 4.602 0.01 . 1 . . . . . 15 A H4' . 50236 2
141 . 2 . 2 15 15 A H5' H 1 4.050 0.01 . 2 . . . . . 15 A H5' . 50236 2
142 . 2 . 2 15 15 A H5'' H 1 3.965 0.01 . 2 . . . . . 15 A H5'' . 50236 2
143 . 2 . 2 15 15 A H8 H 1 8.376 0.01 . 1 . . . . . 15 A H8 . 50236 2
144 . 2 . 2 15 15 A C1' C 13 88.829 0.1 . 1 . . . . . 15 A C1' . 50236 2
145 . 2 . 2 15 15 A C2 C 13 155.641 0.1 . 1 . . . . . 15 A C2 . 50236 2
146 . 2 . 2 15 15 A C2' C 13 76.226 0.1 . 1 . . . . . 15 A C2' . 50236 2
147 . 2 . 2 15 15 A C3' C 13 77.937 0.1 . 1 . . . . . 15 A C3' . 50236 2
148 . 2 . 2 15 15 A C4' C 13 85.095 0.1 . 1 . . . . . 15 A C4' . 50236 2
149 . 2 . 2 15 15 A C5' C 13 67.681 0.1 . 1 . . . . . 15 A C5' . 50236 2
150 . 2 . 2 15 15 A C8 C 13 142.367 0.1 . 1 . . . . . 15 A C8 . 50236 2
151 . 2 . 2 16 16 U H1' H 1 5.436 0.01 . 1 . . . . . 16 U H1' . 50236 2
152 . 2 . 2 16 16 U H2' H 1 4.317 0.01 . 1 . . . . . 16 U H2' . 50236 2
153 . 2 . 2 16 16 U H3' H 1 4.657 0.01 . 1 . . . . . 16 U H3' . 50236 2
154 . 2 . 2 16 16 U H4' H 1 4.278 0.01 . 1 . . . . . 16 U H4' . 50236 2
155 . 2 . 2 16 16 U H5 H 1 5.699 0.01 . 1 . . . . . 16 U H5 . 50236 2
156 . 2 . 2 16 16 U H5' H 1 4.284 0.01 . 2 . . . . . 16 U H5' . 50236 2
157 . 2 . 2 16 16 U H5'' H 1 4.119 0.01 . 2 . . . . . 16 U H5'' . 50236 2
158 . 2 . 2 16 16 U H6 H 1 7.626 0.01 . 1 . . . . . 16 U H6 . 50236 2
159 . 2 . 2 16 16 U C1' C 13 95.438 0.1 . 1 . . . . . 16 U C1' . 50236 2
160 . 2 . 2 16 16 U C2' C 13 75.391 0.1 . 1 . . . . . 16 U C2' . 50236 2
161 . 2 . 2 16 16 U C3' C 13 74.806 0.1 . 1 . . . . . 16 U C3' . 50236 2
162 . 2 . 2 16 16 U C4' C 13 84.272 0.1 . 1 . . . . . 16 U C4' . 50236 2
163 . 2 . 2 16 16 U C5 C 13 104.545 0.1 . 1 . . . . . 16 U C5 . 50236 2
164 . 2 . 2 16 16 U C5' C 13 67.252 0.1 . 1 . . . . . 16 U C5' . 50236 2
165 . 2 . 2 16 16 U C6 C 13 144.827 0.1 . 1 . . . . . 16 U C6 . 50236 2
166 . 2 . 2 17 17 U H1' H 1 5.406 0.01 . 1 . . . . . 17 U H1' . 50236 2
167 . 2 . 2 17 17 U H2' H 1 4.630 0.01 . 1 . . . . . 17 U H2' . 50236 2
168 . 2 . 2 17 17 U H3' H 1 4.960 0.01 . 1 . . . . . 17 U H3' . 50236 2
169 . 2 . 2 17 17 U H4' H 1 4.217 0.01 . 1 . . . . . 17 U H4' . 50236 2
170 . 2 . 2 17 17 U H5 H 1 5.978 0.01 . 1 . . . . . 17 U H5 . 50236 2
171 . 2 . 2 17 17 U H5' H 1 4.155 0.01 . 2 . . . . . 17 U H5' . 50236 2
172 . 2 . 2 17 17 U H5'' H 1 4.049 0.01 . 2 . . . . . 17 U H5'' . 50236 2
173 . 2 . 2 17 17 U H6 H 1 7.938 0.01 . 1 . . . . . 17 U H6 . 50236 2
174 . 2 . 2 17 17 U C1' C 13 88.365 0.1 . 1 . . . . . 17 U C1' . 50236 2
175 . 2 . 2 17 17 U C2' C 13 72.831 0.1 . 1 . . . . . 17 U C2' . 50236 2
176 . 2 . 2 17 17 U C3' C 13 78.992 0.1 . 1 . . . . . 17 U C3' . 50236 2
177 . 2 . 2 17 17 U C4' C 13 85.474 0.1 . 1 . . . . . 17 U C4' . 50236 2
178 . 2 . 2 17 17 U C5 C 13 106.186 0.1 . 1 . . . . . 17 U C5 . 50236 2
179 . 2 . 2 17 17 U C5' C 13 68.204 0.1 . 1 . . . . . 17 U C5' . 50236 2
180 . 2 . 2 17 17 U C6 C 13 143.578 0.1 . 1 . . . . . 17 U C6 . 50236 2
181 . 2 . 2 18 18 G H1' H 1 5.669 0.01 . 1 . . . . . 18 G H1' . 50236 2
182 . 2 . 2 18 18 G H2' H 1 4.478 0.01 . 1 . . . . . 18 G H2' . 50236 2
183 . 2 . 2 18 18 G H3' H 1 4.292 0.01 . 1 . . . . . 18 G H3' . 50236 2
184 . 2 . 2 18 18 G H4' H 1 4.660 0.01 . 1 . . . . . 18 G H4' . 50236 2
185 . 2 . 2 18 18 G H5' H 1 4.332 0.01 . 2 . . . . . 18 G H5' . 50236 2
186 . 2 . 2 18 18 G H5'' H 1 3.973 0.01 . 2 . . . . . 18 G H5'' . 50236 2
187 . 2 . 2 18 18 G H8 H 1 8.124 0.01 . 1 . . . . . 18 G H8 . 50236 2
188 . 2 . 2 18 18 G C1' C 13 86.971 0.1 . 1 . . . . . 18 G C1' . 50236 2
189 . 2 . 2 18 18 G C2' C 13 78.755 0.1 . 1 . . . . . 18 G C2' . 50236 2
190 . 2 . 2 18 18 G C3' C 13 78.016 0.1 . 1 . . . . . 18 G C3' . 50236 2
191 . 2 . 2 18 18 G C4' C 13 87.553 0.1 . 1 . . . . . 18 G C4' . 50236 2
192 . 2 . 2 18 18 G C5' C 13 68.993 0.1 . 1 . . . . . 18 G C5' . 50236 2
193 . 2 . 2 18 18 G C8 C 13 138.268 0.1 . 1 . . . . . 18 G C8 . 50236 2
194 . 2 . 2 19 19 A H1' H 1 6.295 0.01 . 1 . . . . . 19 A H1' . 50236 2
195 . 2 . 2 19 19 A H2 H 1 8.324 0.01 . 1 . . . . . 19 A H2 . 50236 2
196 . 2 . 2 19 19 A H2' H 1 4.868 0.01 . 1 . . . . . 19 A H2' . 50236 2
197 . 2 . 2 19 19 A H3' H 1 5.568 0.01 . 1 . . . . . 19 A H3' . 50236 2
198 . 2 . 2 19 19 A H4' H 1 4.618 0.01 . 1 . . . . . 19 A H4' . 50236 2
199 . 2 . 2 19 19 A H8 H 1 8.364 0.01 . 1 . . . . . 19 A H8 . 50236 2
200 . 2 . 2 19 19 A C1' C 13 89.664 0.1 . 1 . . . . . 19 A C1' . 50236 2
201 . 2 . 2 19 19 A C2 C 13 156.136 0.1 . 1 . . . . . 19 A C2 . 50236 2
202 . 2 . 2 19 19 A C2' C 13 76.667 0.1 . 1 . . . . . 19 A C2' . 50236 2
203 . 2 . 2 19 19 A C3' C 13 76.334 0.1 . 1 . . . . . 19 A C3' . 50236 2
204 . 2 . 2 19 19 A C4' C 13 83.234 0.1 . 1 . . . . . 19 A C4' . 50236 2
205 . 2 . 2 19 19 A C8 C 13 142.145 0.1 . 1 . . . . . 19 A C8 . 50236 2
206 . 2 . 2 20 20 U H1' H 1 6.335 0.01 . 1 . . . . . 20 U H1' . 50236 2
207 . 2 . 2 20 20 U H2' H 1 4.933 0.01 . 1 . . . . . 20 U H2' . 50236 2
208 . 2 . 2 20 20 U H3' H 1 4.970 0.01 . 1 . . . . . 20 U H3' . 50236 2
209 . 2 . 2 20 20 U H4' H 1 4.699 0.01 . 1 . . . . . 20 U H4' . 50236 2
210 . 2 . 2 20 20 U H5 H 1 6.025 0.01 . 1 . . . . . 20 U H5 . 50236 2
211 . 2 . 2 20 20 U H5' H 1 4.358 0.01 . 2 . . . . . 20 U H5' . 50236 2
212 . 2 . 2 20 20 U H5'' H 1 4.358 0.01 . 2 . . . . . 20 U H5'' . 50236 2
213 . 2 . 2 20 20 U H6 H 1 8.210 0.01 . 1 . . . . . 20 U H6 . 50236 2
214 . 2 . 2 20 20 U C1' C 13 88.835 0.1 . 1 . . . . . 20 U C1' . 50236 2
215 . 2 . 2 20 20 U C2' C 13 74.508 0.1 . 1 . . . . . 20 U C2' . 50236 2
216 . 2 . 2 20 20 U C3' C 13 77.305 0.1 . 1 . . . . . 20 U C3' . 50236 2
217 . 2 . 2 20 20 U C4' C 13 85.866 0.1 . 1 . . . . . 20 U C4' . 50236 2
218 . 2 . 2 20 20 U C5 C 13 106.036 0.1 . 1 . . . . . 20 U C5 . 50236 2
219 . 2 . 2 20 20 U C5' C 13 68.061 0.1 . 1 . . . . . 20 U C5' . 50236 2
220 . 2 . 2 20 20 U C6 C 13 144.995 0.1 . 1 . . . . . 20 U C6 . 50236 2
221 . 2 . 2 21 21 A H1' H 1 6.296 0.01 . 1 . . . . . 21 A H1' . 50236 2
222 . 2 . 2 21 21 A H2 H 1 7.488 0.01 . 1 . . . . . 21 A H2 . 50236 2
223 . 2 . 2 21 21 A H2' H 1 4.602 0.01 . 1 . . . . . 21 A H2' . 50236 2
224 . 2 . 2 21 21 A H3' H 1 5.251 0.01 . 1 . . . . . 21 A H3' . 50236 2
225 . 2 . 2 21 21 A H4' H 1 4.555 0.01 . 1 . . . . . 21 A H4' . 50236 2
226 . 2 . 2 21 21 A H8 H 1 8.701 0.01 . 1 . . . . . 21 A H8 . 50236 2
227 . 2 . 2 21 21 A C1' C 13 93.373 0.1 . 1 . . . . . 21 A C1' . 50236 2
228 . 2 . 2 21 21 A C2 C 13 153.942 0.1 . 1 . . . . . 21 A C2 . 50236 2
229 . 2 . 2 21 21 A C2' C 13 76.779 0.1 . 1 . . . . . 21 A C2' . 50236 2
230 . 2 . 2 21 21 A C3' C 13 72.310 0.1 . 1 . . . . . 21 A C3' . 50236 2
231 . 2 . 2 21 21 A C4' C 13 85.171 0.1 . 1 . . . . . 21 A C4' . 50236 2
232 . 2 . 2 21 21 A C8 C 13 141.848 0.1 . 1 . . . . . 21 A C8 . 50236 2
233 . 2 . 2 22 22 U H1' H 1 5.557 0.01 . 1 . . . . . 22 U H1' . 50236 2
234 . 2 . 2 22 22 U H2' H 1 4.564 0.01 . 1 . . . . . 22 U H2' . 50236 2
235 . 2 . 2 22 22 U H4' H 1 4.513 0.01 . 1 . . . . . 22 U H4' . 50236 2
236 . 2 . 2 22 22 U H5 H 1 5.718 0.01 . 1 . . . . . 22 U H5 . 50236 2
237 . 2 . 2 22 22 U H6 H 1 7.993 0.01 . 1 . . . . . 22 U H6 . 50236 2
238 . 2 . 2 22 22 U C1' C 13 92.675 0.1 . 1 . . . . . 22 U C1' . 50236 2
239 . 2 . 2 22 22 U C2' C 13 75.466 0.1 . 1 . . . . . 22 U C2' . 50236 2
240 . 2 . 2 22 22 U C4' C 13 83.665 0.1 . 1 . . . . . 22 U C4' . 50236 2
241 . 2 . 2 22 22 U C5 C 13 104.584 0.1 . 1 . . . . . 22 U C5 . 50236 2
242 . 2 . 2 22 22 U C6 C 13 145.200 0.1 . 1 . . . . . 22 U C6 . 50236 2
243 . 2 . 2 23 23 G H1' H 1 5.936 0.01 . 1 . . . . . 23 G H1' . 50236 2
244 . 2 . 2 23 23 G H2' H 1 4.829 0.01 . 1 . . . . . 23 G H2' . 50236 2
245 . 2 . 2 23 23 G H8 H 1 7.698 0.01 . 1 . . . . . 23 G H8 . 50236 2
246 . 2 . 2 23 23 G C1' C 13 92.746 0.1 . 1 . . . . . 23 G C1' . 50236 2
247 . 2 . 2 23 23 G C2' C 13 75.454 0.1 . 1 . . . . . 23 G C2' . 50236 2
248 . 2 . 2 23 23 G C8 C 13 136.313 0.1 . 1 . . . . . 23 G C8 . 50236 2
249 . 2 . 2 24 24 G H1' H 1 5.804 0.01 . 1 . . . . . 24 G H1' . 50236 2
250 . 2 . 2 24 24 G H8 H 1 7.612 0.01 . 1 . . . . . 24 G H8 . 50236 2
251 . 2 . 2 24 24 G C1' C 13 92.771 0.1 . 1 . . . . . 24 G C1' . 50236 2
252 . 2 . 2 24 24 G C8 C 13 135.878 0.1 . 1 . . . . . 24 G C8 . 50236 2
253 . 2 . 2 25 25 U H1' H 1 5.598 0.01 . 1 . . . . . 25 U H1' . 50236 2
254 . 2 . 2 25 25 U H2' H 1 4.657 0.01 . 1 . . . . . 25 U H2' . 50236 2
255 . 2 . 2 25 25 U H3' H 1 4.511 0.01 . 1 . . . . . 25 U H3' . 50236 2
256 . 2 . 2 25 25 U H4' H 1 4.513 0.01 . 1 . . . . . 25 U H4' . 50236 2
257 . 2 . 2 25 25 U H5 H 1 5.699 0.01 . 1 . . . . . 25 U H5 . 50236 2
258 . 2 . 2 25 25 U H5' H 1 4.413 0.01 . 2 . . . . . 25 U H5' . 50236 2
259 . 2 . 2 25 25 U H5'' H 1 4.313 0.01 . 2 . . . . . 25 U H5'' . 50236 2
260 . 2 . 2 25 25 U H6 H 1 7.626 0.01 . 1 . . . . . 25 U H6 . 50236 2
261 . 2 . 2 25 25 U C1' C 13 93.389 0.1 . 1 . . . . . 25 U C1' . 50236 2
262 . 2 . 2 25 25 U C2' C 13 74.806 0.1 . 1 . . . . . 25 U C2' . 50236 2
263 . 2 . 2 25 25 U C3' C 13 72.457 0.1 . 1 . . . . . 25 U C3' . 50236 2
264 . 2 . 2 25 25 U C4' C 13 82.045 0.1 . 1 . . . . . 25 U C4' . 50236 2
265 . 2 . 2 25 25 U C5 C 13 104.545 0.1 . 1 . . . . . 25 U C5 . 50236 2
266 . 2 . 2 25 25 U C5' C 13 67.300 0.1 . 1 . . . . . 25 U C5' . 50236 2
267 . 2 . 2 25 25 U C6 C 13 144.827 0.1 . 1 . . . . . 25 U C6 . 50236 2
268 . 2 . 2 26 26 G H1' H 1 6.018 0.01 . 1 . . . . . 26 G H1' . 50236 2
269 . 2 . 2 26 26 G H8 H 1 7.733 0.01 . 1 . . . . . 26 G H8 . 50236 2
270 . 2 . 2 26 26 G C1' C 13 92.703 0.1 . 1 . . . . . 26 G C1' . 50236 2
271 . 2 . 2 26 26 G C8 C 13 135.591 0.1 . 1 . . . . . 26 G C8 . 50236 2
272 . 2 . 2 27 27 C H1' H 1 5.424 0.01 . 1 . . . . . 27 C H1' . 50236 2
273 . 2 . 2 27 27 C H2' H 1 3.531 0.01 . 1 . . . . . 27 C H2' . 50236 2
274 . 2 . 2 27 27 C H4' H 1 4.035 0.01 . 1 . . . . . 27 C H4' . 50236 2
275 . 2 . 2 27 27 C H5 H 1 5.768 0.01 . 1 . . . . . 27 C H5 . 50236 2
276 . 2 . 2 27 27 C H6 H 1 8.027 0.01 . 1 . . . . . 27 C H6 . 50236 2
277 . 2 . 2 27 27 C C1' C 13 94.600 0.1 . 1 . . . . . 27 C C1' . 50236 2
278 . 2 . 2 27 27 C C2' C 13 77.812 0.1 . 1 . . . . . 27 C C2' . 50236 2
279 . 2 . 2 27 27 C C4' C 13 83.500 0.1 . 1 . . . . . 27 C C4' . 50236 2
280 . 2 . 2 27 27 C C5 C 13 97.200 0.1 . 1 . . . . . 27 C C5 . 50236 2
281 . 2 . 2 27 27 C C6 C 13 143.196 0.1 . 1 . . . . . 27 C C6 . 50236 2
282 . 2 . 2 28 28 C H1' H 1 5.723 0.01 . 1 . . . . . 28 C H1' . 50236 2
283 . 2 . 2 28 28 C H5 H 1 5.470 0.01 . 1 . . . . . 28 C H5 . 50236 2
284 . 2 . 2 28 28 C H6 H 1 8.040 0.01 . 1 . . . . . 28 C H6 . 50236 2
285 . 2 . 2 28 28 C C1' C 13 93.300 0.1 . 1 . . . . . 28 C C1' . 50236 2
286 . 2 . 2 28 28 C C5 C 13 96.947 0.1 . 1 . . . . . 28 C C5 . 50236 2
287 . 2 . 2 28 28 C C6 C 13 142.412 0.1 . 1 . . . . . 28 C C6 . 50236 2
288 . 2 . 2 29 29 C H1' H 1 5.649 0.01 . 1 . . . . . 29 C H1' . 50236 2
289 . 2 . 2 29 29 C H2' H 1 3.536 0.01 . 1 . . . . . 29 C H2' . 50236 2
290 . 2 . 2 29 29 C H3' H 1 3.470 0.01 . 1 . . . . . 29 C H3' . 50236 2
291 . 2 . 2 29 29 C H4' H 1 4.170 0.01 . 1 . . . . . 29 C H4' . 50236 2
292 . 2 . 2 29 29 C H5 H 1 5.760 0.01 . 1 . . . . . 29 C H5 . 50236 2
293 . 2 . 2 29 29 C H6 H 1 7.595 0.01 . 1 . . . . . 29 C H6 . 50236 2
294 . 2 . 2 29 29 C C1' C 13 93.400 0.1 . 1 . . . . . 29 C C1' . 50236 2
295 . 2 . 2 29 29 C C2' C 13 77.800 0.1 . 1 . . . . . 29 C C2' . 50236 2
296 . 2 . 2 29 29 C C3' C 13 69.300 0.1 . 1 . . . . . 29 C C3' . 50236 2
297 . 2 . 2 29 29 C C4' C 13 84.900 0.1 . 1 . . . . . 29 C C4' . 50236 2
298 . 2 . 2 29 29 C C5 C 13 97.232 0.1 . 1 . . . . . 29 C C5 . 50236 2
299 . 2 . 2 29 29 C C6 C 13 140.825 0.1 . 1 . . . . . 29 C C6 . 50236 2
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