###################################
# 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 51565
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name I3_1-78
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D CBCA(CO)NH' . . . 51565 1
2 '3D HNCA' . . . 51565 1
3 '3D HNCACB' . . . 51565 1
4 '3D HN(CO)CA' . . . 51565 1
5 '2D 1H-15N HSQC' . . . 51565 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
3 $software_3 . . 51565 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 GLY CA C 13 43.011 0.05 . 1 . . . . . 1 GLY CA . 51565 1
2 . 1 . 1 2 2 ALA H H 1 8.488 0.00 . 1 . . . . . 2 ALA H . 51565 1
3 . 1 . 1 2 2 ALA CA C 13 52.397 0.05 . 1 . . . . . 2 ALA CA . 51565 1
4 . 1 . 1 2 2 ALA CB C 13 19.172 0.02 . 1 . . . . . 2 ALA CB . 51565 1
5 . 1 . 1 2 2 ALA N N 15 123.558 0.00 . 1 . . . . . 2 ALA N . 51565 1
6 . 1 . 1 3 3 MET H H 1 8.434 0.00 . 1 . . . . . 3 MET H . 51565 1
7 . 1 . 1 3 3 MET CA C 13 55.408 0.18 . 1 . . . . . 3 MET CA . 51565 1
8 . 1 . 1 3 3 MET CB C 13 32.421 0.08 . 1 . . . . . 3 MET CB . 51565 1
9 . 1 . 1 3 3 MET N N 15 120.046 0.00 . 1 . . . . . 3 MET N . 51565 1
10 . 1 . 1 4 4 GLY H H 1 8.288 0.00 . 1 . . . . . 4 GLY H . 51565 1
11 . 1 . 1 4 4 GLY CA C 13 45.050 0.04 . 1 . . . . . 4 GLY CA . 51565 1
12 . 1 . 1 4 4 GLY N N 15 110.652 0.00 . 1 . . . . . 4 GLY N . 51565 1
13 . 1 . 1 5 5 ALA H H 1 8.051 0.00 . 1 . . . . . 5 ALA H . 51565 1
14 . 1 . 1 5 5 ALA CA C 13 52.388 0.05 . 1 . . . . . 5 ALA CA . 51565 1
15 . 1 . 1 5 5 ALA CB C 13 19.325 0.07 . 1 . . . . . 5 ALA CB . 51565 1
16 . 1 . 1 5 5 ALA N N 15 123.798 0.00 . 1 . . . . . 5 ALA N . 51565 1
17 . 1 . 1 6 6 SER H H 1 8.219 0.00 . 1 . . . . . 6 SER H . 51565 1
18 . 1 . 1 6 6 SER CA C 13 58.261 0.06 . 1 . . . . . 6 SER CA . 51565 1
19 . 1 . 1 6 6 SER CB C 13 63.509 0.04 . 1 . . . . . 6 SER CB . 51565 1
20 . 1 . 1 6 6 SER N N 15 115.100 0.00 . 1 . . . . . 6 SER N . 51565 1
21 . 1 . 1 7 7 MET H H 1 8.266 0.00 . 1 . . . . . 7 MET H . 51565 1
22 . 1 . 1 7 7 MET CA C 13 55.382 0.19 . 1 . . . . . 7 MET CA . 51565 1
23 . 1 . 1 7 7 MET CB C 13 32.517 0.09 . 1 . . . . . 7 MET CB . 51565 1
24 . 1 . 1 7 7 MET N N 15 122.305 0.00 . 1 . . . . . 7 MET N . 51565 1
25 . 1 . 1 8 8 ALA H H 1 8.103 0.00 . 1 . . . . . 8 ALA H . 51565 1
26 . 1 . 1 8 8 ALA CA C 13 52.533 0.02 . 1 . . . . . 8 ALA CA . 51565 1
27 . 1 . 1 8 8 ALA CB C 13 18.946 0.00 . 1 . . . . . 8 ALA CB . 51565 1
28 . 1 . 1 8 8 ALA N N 15 124.734 0.00 . 1 . . . . . 8 ALA N . 51565 1
29 . 1 . 1 9 9 GLU H H 1 8.173 0.00 . 1 . . . . . 9 GLU H . 51565 1
30 . 1 . 1 9 9 GLU CA C 13 56.263 0.04 . 1 . . . . . 9 GLU CA . 51565 1
31 . 1 . 1 9 9 GLU CB C 13 30.007 0.06 . 1 . . . . . 9 GLU CB . 51565 1
32 . 1 . 1 9 9 GLU N N 15 120.042 0.00 . 1 . . . . . 9 GLU N . 51565 1
33 . 1 . 1 10 10 ALA H H 1 8.201 0.00 . 1 . . . . . 10 ALA H . 51565 1
34 . 1 . 1 10 10 ALA CA C 13 52.727 0.07 . 1 . . . . . 10 ALA CA . 51565 1
35 . 1 . 1 10 10 ALA CB C 13 18.843 0.02 . 1 . . . . . 10 ALA CB . 51565 1
36 . 1 . 1 10 10 ALA N N 15 125.068 0.00 . 1 . . . . . 10 ALA N . 51565 1
37 . 1 . 1 11 11 GLY H H 1 8.229 0.00 . 1 . . . . . 11 GLY H . 51565 1
38 . 1 . 1 11 11 GLY CA C 13 45.086 0.03 . 1 . . . . . 11 GLY CA . 51565 1
39 . 1 . 1 11 11 GLY N N 15 108.123 0.00 . 1 . . . . . 11 GLY N . 51565 1
40 . 1 . 1 12 12 ALA H H 1 7.981 0.00 . 1 . . . . . 12 ALA H . 51565 1
41 . 1 . 1 12 12 ALA CA C 13 52.540 0.04 . 1 . . . . . 12 ALA CA . 51565 1
42 . 1 . 1 12 12 ALA CB C 13 19.121 0.06 . 1 . . . . . 12 ALA CB . 51565 1
43 . 1 . 1 12 12 ALA N N 15 123.487 0.00 . 1 . . . . . 12 ALA N . 51565 1
44 . 1 . 1 13 13 GLY H H 1 8.286 0.00 . 1 . . . . . 13 GLY H . 51565 1
45 . 1 . 1 13 13 GLY CA C 13 45.129 0.03 . 1 . . . . . 13 GLY CA . 51565 1
46 . 1 . 1 13 13 GLY N N 15 108.027 0.00 . 1 . . . . . 13 GLY N . 51565 1
47 . 1 . 1 14 14 LEU H H 1 7.943 0.00 . 1 . . . . . 14 LEU H . 51565 1
48 . 1 . 1 14 14 LEU CA C 13 54.912 0.07 . 1 . . . . . 14 LEU CA . 51565 1
49 . 1 . 1 14 14 LEU CB C 13 42.144 0.17 . 1 . . . . . 14 LEU CB . 51565 1
50 . 1 . 1 14 14 LEU N N 15 121.375 0.00 . 1 . . . . . 14 LEU N . 51565 1
51 . 1 . 1 15 15 SER H H 1 8.208 0.00 . 1 . . . . . 15 SER H . 51565 1
52 . 1 . 1 15 15 SER CA C 13 58.068 0.18 . 1 . . . . . 15 SER CA . 51565 1
53 . 1 . 1 15 15 SER CB C 13 63.527 0.13 . 1 . . . . . 15 SER CB . 51565 1
54 . 1 . 1 15 15 SER N N 15 116.518 0.00 . 1 . . . . . 15 SER N . 51565 1
55 . 1 . 1 16 16 GLU H H 1 8.306 0.00 . 1 . . . . . 16 GLU H . 51565 1
56 . 1 . 1 16 16 GLU CA C 13 56.275 0.10 . 1 . . . . . 16 GLU CA . 51565 1
57 . 1 . 1 16 16 GLU CB C 13 30.227 0.10 . 1 . . . . . 16 GLU CB . 51565 1
58 . 1 . 1 16 16 GLU N N 15 122.650 0.00 . 1 . . . . . 16 GLU N . 51565 1
59 . 1 . 1 17 17 THR H H 1 8.115 0.00 . 1 . . . . . 17 THR H . 51565 1
60 . 1 . 1 17 17 THR CA C 13 61.951 0.08 . 1 . . . . . 17 THR CA . 51565 1
61 . 1 . 1 17 17 THR CB C 13 69.603 0.02 . 1 . . . . . 17 THR CB . 51565 1
62 . 1 . 1 17 17 THR N N 15 116.302 0.00 . 1 . . . . . 17 THR N . 51565 1
63 . 1 . 1 18 18 VAL H H 1 8.203 0.00 . 1 . . . . . 18 VAL H . 51565 1
64 . 1 . 1 18 18 VAL CA C 13 62.027 0.08 . 1 . . . . . 18 VAL CA . 51565 1
65 . 1 . 1 18 18 VAL CB C 13 32.646 0.13 . 1 . . . . . 18 VAL CB . 51565 1
66 . 1 . 1 18 18 VAL N N 15 123.973 0.00 . 1 . . . . . 18 VAL N . 51565 1
67 . 1 . 1 19 19 THR H H 1 8.195 0.00 . 1 . . . . . 19 THR H . 51565 1
68 . 1 . 1 19 19 THR CA C 13 61.745 0.09 . 1 . . . . . 19 THR CA . 51565 1
69 . 1 . 1 19 19 THR CB C 13 69.545 0.07 . 1 . . . . . 19 THR CB . 51565 1
70 . 1 . 1 19 19 THR N N 15 119.265 0.00 . 1 . . . . . 19 THR N . 51565 1
71 . 1 . 1 20 20 GLU H H 1 8.363 0.00 . 1 . . . . . 20 GLU H . 51565 1
72 . 1 . 1 20 20 GLU CA C 13 56.349 0.03 . 1 . . . . . 20 GLU CA . 51565 1
73 . 1 . 1 20 20 GLU CB C 13 30.254 0.03 . 1 . . . . . 20 GLU CB . 51565 1
74 . 1 . 1 20 20 GLU N N 15 124.022 0.00 . 1 . . . . . 20 GLU N . 51565 1
75 . 1 . 1 21 21 THR H H 1 8.184 0.00 . 1 . . . . . 21 THR H . 51565 1
76 . 1 . 1 21 21 THR CA C 13 61.782 0.06 . 1 . . . . . 21 THR CA . 51565 1
77 . 1 . 1 21 21 THR CB C 13 69.487 0.00 . 1 . . . . . 21 THR CB . 51565 1
78 . 1 . 1 21 21 THR N N 15 116.125 0.00 . 1 . . . . . 21 THR N . 51565 1
79 . 1 . 1 22 22 THR H H 1 8.101 0.00 . 1 . . . . . 22 THR H . 51565 1
80 . 1 . 1 22 22 THR CA C 13 61.873 0.06 . 1 . . . . . 22 THR CA . 51565 1
81 . 1 . 1 22 22 THR CB C 13 69.639 0.01 . 1 . . . . . 22 THR CB . 51565 1
82 . 1 . 1 22 22 THR N N 15 117.948 0.00 . 1 . . . . . 22 THR N . 51565 1
83 . 1 . 1 23 23 VAL H H 1 8.171 0.00 . 1 . . . . . 23 VAL H . 51565 1
84 . 1 . 1 23 23 VAL CA C 13 62.017 0.08 . 1 . . . . . 23 VAL CA . 51565 1
85 . 1 . 1 23 23 VAL CB C 13 32.607 0.15 . 1 . . . . . 23 VAL CB . 51565 1
86 . 1 . 1 23 23 VAL N N 15 124.019 0.00 . 1 . . . . . 23 VAL N . 51565 1
87 . 1 . 1 24 24 THR H H 1 8.232 0.00 . 1 . . . . . 24 THR H . 51565 1
88 . 1 . 1 24 24 THR CA C 13 61.852 0.04 . 1 . . . . . 24 THR CA . 51565 1
89 . 1 . 1 24 24 THR CB C 13 69.462 0.12 . 1 . . . . . 24 THR CB . 51565 1
90 . 1 . 1 24 24 THR N N 15 120.279 0.00 . 1 . . . . . 24 THR N . 51565 1
91 . 1 . 1 25 25 VAL H H 1 8.137 0.00 . 1 . . . . . 25 VAL H . 51565 1
92 . 1 . 1 25 25 VAL CA C 13 61.980 0.03 . 1 . . . . . 25 VAL CA . 51565 1
93 . 1 . 1 25 25 VAL CB C 13 32.761 0.09 . 1 . . . . . 25 VAL CB . 51565 1
94 . 1 . 1 25 25 VAL N N 15 123.741 0.00 . 1 . . . . . 25 VAL N . 51565 1
95 . 1 . 1 26 26 THR H H 1 8.232 0.00 . 1 . . . . . 26 THR H . 51565 1
96 . 1 . 1 26 26 THR CA C 13 61.476 0.14 . 1 . . . . . 26 THR CA . 51565 1
97 . 1 . 1 26 26 THR CB C 13 69.486 0.04 . 1 . . . . . 26 THR CB . 51565 1
98 . 1 . 1 26 26 THR N N 15 118.951 0.00 . 1 . . . . . 26 THR N . 51565 1
99 . 1 . 1 27 27 THR H H 1 8.044 0.00 . 1 . . . . . 27 THR H . 51565 1
100 . 1 . 1 27 27 THR CA C 13 61.494 0.06 . 1 . . . . . 27 THR CA . 51565 1
101 . 1 . 1 27 27 THR CB C 13 69.532 0.12 . 1 . . . . . 27 THR CB . 51565 1
102 . 1 . 1 27 27 THR N N 15 116.698 0.00 . 1 . . . . . 27 THR N . 51565 1
103 . 1 . 1 28 28 GLU H H 1 8.312 0.00 . 1 . . . . . 28 GLU H . 51565 1
104 . 1 . 1 28 28 GLU CA C 13 54.300 0.02 . 1 . . . . . 28 GLU CA . 51565 1
105 . 1 . 1 28 28 GLU CB C 13 29.420 0.00 . 1 . . . . . 28 GLU CB . 51565 1
106 . 1 . 1 28 28 GLU N N 15 124.723 0.00 . 1 . . . . . 28 GLU N . 51565 1
107 . 1 . 1 29 29 PRO CA C 13 63.135 0.16 . 1 . . . . . 29 PRO CA . 51565 1
108 . 1 . 1 29 29 PRO CB C 13 31.956 0.08 . 1 . . . . . 29 PRO CB . 51565 1
109 . 1 . 1 30 30 GLU H H 1 8.431 0.00 . 1 . . . . . 30 GLU H . 51565 1
110 . 1 . 1 30 30 GLU CA C 13 56.706 0.11 . 1 . . . . . 30 GLU CA . 51565 1
111 . 1 . 1 30 30 GLU CB C 13 29.973 0.06 . 1 . . . . . 30 GLU CB . 51565 1
112 . 1 . 1 30 30 GLU N N 15 120.782 0.00 . 1 . . . . . 30 GLU N . 51565 1
113 . 1 . 1 31 31 ASN H H 1 8.316 0.00 . 1 . . . . . 31 ASN H . 51565 1
114 . 1 . 1 31 31 ASN CA C 13 52.934 0.25 . 1 . . . . . 31 ASN CA . 51565 1
115 . 1 . 1 31 31 ASN CB C 13 38.238 0.19 . 1 . . . . . 31 ASN CB . 51565 1
116 . 1 . 1 31 31 ASN N N 15 119.797 0.00 . 1 . . . . . 31 ASN N . 51565 1
117 . 1 . 1 32 32 ARG H H 1 8.244 0.00 . 1 . . . . . 32 ARG H . 51565 1
118 . 1 . 1 32 32 ARG CA C 13 56.538 0.05 . 1 . . . . . 32 ARG CA . 51565 1
119 . 1 . 1 32 32 ARG CB C 13 30.246 0.00 . 1 . . . . . 32 ARG CB . 51565 1
120 . 1 . 1 32 32 ARG N N 15 122.250 0.00 . 1 . . . . . 32 ARG N . 51565 1
121 . 1 . 1 33 33 SER H H 1 8.151 0.00 . 1 . . . . . 33 SER H . 51565 1
122 . 1 . 1 33 33 SER CA C 13 58.804 0.06 . 1 . . . . . 33 SER CA . 51565 1
123 . 1 . 1 33 33 SER CB C 13 63.078 0.13 . 1 . . . . . 33 SER CB . 51565 1
124 . 1 . 1 33 33 SER N N 15 115.835 0.00 . 1 . . . . . 33 SER N . 51565 1
125 . 1 . 1 34 34 LEU H H 1 8.002 0.00 . 1 . . . . . 34 LEU H . 51565 1
126 . 1 . 1 34 34 LEU CA C 13 55.337 0.16 . 1 . . . . . 34 LEU CA . 51565 1
127 . 1 . 1 34 34 LEU CB C 13 41.822 0.23 . 1 . . . . . 34 LEU CB . 51565 1
128 . 1 . 1 34 34 LEU N N 15 123.441 0.00 . 1 . . . . . 34 LEU N . 51565 1
129 . 1 . 1 35 35 THR H H 1 7.876 0.00 . 1 . . . . . 35 THR H . 51565 1
130 . 1 . 1 35 35 THR CA C 13 62.396 0.06 . 1 . . . . . 35 THR CA . 51565 1
131 . 1 . 1 35 35 THR CB C 13 69.425 0.03 . 1 . . . . . 35 THR CB . 51565 1
132 . 1 . 1 35 35 THR N N 15 114.599 0.00 . 1 . . . . . 35 THR N . 51565 1
133 . 1 . 1 36 36 ILE H H 1 7.885 0.00 . 1 . . . . . 36 ILE H . 51565 1
134 . 1 . 1 36 36 ILE CA C 13 61.575 0.18 . 1 . . . . . 36 ILE CA . 51565 1
135 . 1 . 1 36 36 ILE CB C 13 38.293 0.10 . 1 . . . . . 36 ILE CB . 51565 1
136 . 1 . 1 36 36 ILE N N 15 123.345 0.00 . 1 . . . . . 36 ILE N . 51565 1
137 . 1 . 1 37 37 LYS H H 1 8.114 0.00 . 1 . . . . . 37 LYS H . 51565 1
138 . 1 . 1 37 37 LYS CA C 13 56.451 0.15 . 1 . . . . . 37 LYS CA . 51565 1
139 . 1 . 1 37 37 LYS CB C 13 32.698 0.01 . 1 . . . . . 37 LYS CB . 51565 1
140 . 1 . 1 37 37 LYS N N 15 124.822 0.00 . 1 . . . . . 37 LYS N . 51565 1
141 . 1 . 1 38 38 LEU H H 1 8.008 0.00 . 1 . . . . . 38 LEU H . 51565 1
142 . 1 . 1 38 38 LEU CA C 13 54.958 0.12 . 1 . . . . . 38 LEU CA . 51565 1
143 . 1 . 1 38 38 LEU CB C 13 42.153 0.11 . 1 . . . . . 38 LEU CB . 51565 1
144 . 1 . 1 38 38 LEU N N 15 122.838 0.00 . 1 . . . . . 38 LEU N . 51565 1
145 . 1 . 1 39 39 ARG H H 1 8.086 0.00 . 1 . . . . . 39 ARG H . 51565 1
146 . 1 . 1 39 39 ARG CA C 13 55.718 0.18 . 1 . . . . . 39 ARG CA . 51565 1
147 . 1 . 1 39 39 ARG CB C 13 30.629 0.07 . 1 . . . . . 39 ARG CB . 51565 1
148 . 1 . 1 39 39 ARG N N 15 122.088 0.00 . 1 . . . . . 39 ARG N . 51565 1
149 . 1 . 1 40 40 LYS H H 1 8.146 0.00 . 1 . . . . . 40 LYS H . 51565 1
150 . 1 . 1 40 40 LYS CA C 13 54.197 0.07 . 1 . . . . . 40 LYS CA . 51565 1
151 . 1 . 1 40 40 LYS CB C 13 32.416 0.00 . 1 . . . . . 40 LYS CB . 51565 1
152 . 1 . 1 40 40 LYS N N 15 124.291 0.00 . 1 . . . . . 40 LYS N . 51565 1
153 . 1 . 1 41 41 ARG CA C 13 55.633 0.08 . 1 . . . . . 41 ARG CA . 51565 1
154 . 1 . 1 41 41 ARG CB C 13 31.253 0.00 . 1 . . . . . 41 ARG CB . 51565 1
155 . 1 . 1 42 42 LYS H H 1 8.323 0.00 . 1 . . . . . 42 LYS H . 51565 1
156 . 1 . 1 42 42 LYS CA C 13 55.823 0.04 . 1 . . . . . 42 LYS CA . 51565 1
157 . 1 . 1 42 42 LYS CB C 13 32.263 0.00 . 1 . . . . . 42 LYS CB . 51565 1
158 . 1 . 1 42 42 LYS N N 15 124.686 0.00 . 1 . . . . . 42 LYS N . 51565 1
159 . 1 . 1 43 43 PRO CA C 13 62.876 0.18 . 1 . . . . . 43 PRO CA . 51565 1
160 . 1 . 1 43 43 PRO CB C 13 31.858 0.03 . 1 . . . . . 43 PRO CB . 51565 1
161 . 1 . 1 44 44 GLU H H 1 8.394 0.00 . 1 . . . . . 44 GLU H . 51565 1
162 . 1 . 1 44 44 GLU CA C 13 56.099 0.03 . 1 . . . . . 44 GLU CA . 51565 1
163 . 1 . 1 44 44 GLU CB C 13 30.401 0.00 . 1 . . . . . 44 GLU CB . 51565 1
164 . 1 . 1 44 44 GLU N N 15 121.916 0.00 . 1 . . . . . 44 GLU N . 51565 1
165 . 1 . 1 45 45 LYS H H 1 8.221 0.00 . 1 . . . . . 45 LYS H . 51565 1
166 . 1 . 1 45 45 LYS CA C 13 55.884 0.11 . 1 . . . . . 45 LYS CA . 51565 1
167 . 1 . 1 45 45 LYS CB C 13 33.008 0.03 . 1 . . . . . 45 LYS CB . 51565 1
168 . 1 . 1 45 45 LYS N N 15 123.075 0.00 . 1 . . . . . 45 LYS N . 51565 1
169 . 1 . 1 46 46 LYS H H 1 8.253 0.00 . 1 . . . . . 46 LYS H . 51565 1
170 . 1 . 1 46 46 LYS CA C 13 56.073 0.05 . 1 . . . . . 46 LYS CA . 51565 1
171 . 1 . 1 46 46 LYS CB C 13 32.904 0.00 . 1 . . . . . 46 LYS CB . 51565 1
172 . 1 . 1 46 46 LYS N N 15 124.386 0.00 . 1 . . . . . 46 LYS N . 51565 1
173 . 1 . 1 47 47 VAL H H 1 8.131 0.00 . 1 . . . . . 47 VAL H . 51565 1
174 . 1 . 1 47 47 VAL CA C 13 62.035 0.09 . 1 . . . . . 47 VAL CA . 51565 1
175 . 1 . 1 47 47 VAL CB C 13 32.651 0.21 . 1 . . . . . 47 VAL CB . 51565 1
176 . 1 . 1 47 47 VAL N N 15 122.723 0.00 . 1 . . . . . 47 VAL N . 51565 1
177 . 1 . 1 48 48 GLU H H 1 8.282 0.00 . 1 . . . . . 48 GLU H . 51565 1
178 . 1 . 1 48 48 GLU CA C 13 55.986 0.05 . 1 . . . . . 48 GLU CA . 51565 1
179 . 1 . 1 48 48 GLU CB C 13 30.139 0.19 . 1 . . . . . 48 GLU CB . 51565 1
180 . 1 . 1 48 48 GLU N N 15 124.802 0.00 . 1 . . . . . 48 GLU N . 51565 1
181 . 1 . 1 49 49 TRP H H 1 8.147 0.00 . 1 . . . . . 49 TRP H . 51565 1
182 . 1 . 1 49 49 TRP CA C 13 57.231 0.15 . 1 . . . . . 49 TRP CA . 51565 1
183 . 1 . 1 49 49 TRP CB C 13 29.743 0.12 . 1 . . . . . 49 TRP CB . 51565 1
184 . 1 . 1 49 49 TRP N N 15 122.936 0.00 . 1 . . . . . 49 TRP N . 51565 1
185 . 1 . 1 50 50 THR H H 1 7.725 0.00 . 1 . . . . . 50 THR H . 51565 1
186 . 1 . 1 50 50 THR CA C 13 60.817 0.31 . 1 . . . . . 50 THR CA . 51565 1
187 . 1 . 1 50 50 THR CB C 13 70.147 0.03 . 1 . . . . . 50 THR CB . 51565 1
188 . 1 . 1 51 51 SER H H 1 8.000 0.00 . 1 . . . . . 51 SER H . 51565 1
189 . 1 . 1 51 51 SER CA C 13 58.278 0.04 . 1 . . . . . 51 SER CA . 51565 1
190 . 1 . 1 51 51 SER CB C 13 63.455 0.02 . 1 . . . . . 51 SER CB . 51565 1
191 . 1 . 1 51 51 SER N N 15 116.996 0.00 . 1 . . . . . 51 SER N . 51565 1
192 . 1 . 1 52 52 ASP H H 1 8.201 0.00 . 1 . . . . . 52 ASP H . 51565 1
193 . 1 . 1 52 52 ASP CA C 13 54.365 0.02 . 1 . . . . . 52 ASP CA . 51565 1
194 . 1 . 1 52 52 ASP CB C 13 40.904 0.00 . 1 . . . . . 52 ASP CB . 51565 1
195 . 1 . 1 52 52 ASP N N 15 122.095 0.00 . 1 . . . . . 52 ASP N . 51565 1
196 . 1 . 1 53 53 THR H H 1 7.892 0.00 . 1 . . . . . 53 THR H . 51565 1
197 . 1 . 1 53 53 THR CA C 13 61.901 0.00 . 1 . . . . . 53 THR CA . 51565 1
198 . 1 . 1 53 53 THR CB C 13 69.537 0.11 . 1 . . . . . 53 THR CB . 51565 1
199 . 1 . 1 53 53 THR N N 15 114.196 0.00 . 1 . . . . . 53 THR N . 51565 1
200 . 1 . 1 54 54 VAL H H 1 7.975 0.00 . 1 . . . . . 54 VAL H . 51565 1
201 . 1 . 1 54 54 VAL CA C 13 62.151 0.11 . 1 . . . . . 54 VAL CA . 51565 1
202 . 1 . 1 54 54 VAL CB C 13 32.543 0.03 . 1 . . . . . 54 VAL CB . 51565 1
203 . 1 . 1 54 54 VAL N N 15 122.471 0.00 . 1 . . . . . 54 VAL N . 51565 1
204 . 1 . 1 55 55 ASP H H 1 8.198 0.00 . 1 . . . . . 55 ASP H . 51565 1
205 . 1 . 1 55 55 ASP CA C 13 53.776 0.06 . 1 . . . . . 55 ASP CA . 51565 1
206 . 1 . 1 55 55 ASP CB C 13 40.753 0.15 . 1 . . . . . 55 ASP CB . 51565 1
207 . 1 . 1 55 55 ASP N N 15 123.477 0.00 . 1 . . . . . 55 ASP N . 51565 1
208 . 1 . 1 56 56 ASN H H 1 8.238 0.00 . 1 . . . . . 56 ASN H . 51565 1
209 . 1 . 1 56 56 ASN CA C 13 53.901 0.06 . 1 . . . . . 56 ASN CA . 51565 1
210 . 1 . 1 56 56 ASN CB C 13 38.662 0.11 . 1 . . . . . 56 ASN CB . 51565 1
211 . 1 . 1 56 56 ASN N N 15 119.518 0.00 . 1 . . . . . 56 ASN N . 51565 1
212 . 1 . 1 57 57 GLU H H 1 8.214 0.00 . 1 . . . . . 57 GLU H . 51565 1
213 . 1 . 1 57 57 GLU CA C 13 57.054 0.22 . 1 . . . . . 57 GLU CA . 51565 1
214 . 1 . 1 57 57 GLU CB C 13 29.630 0.00 . 1 . . . . . 57 GLU CB . 51565 1
215 . 1 . 1 57 57 GLU N N 15 119.590 0.00 . 1 . . . . . 57 GLU N . 51565 1
216 . 1 . 1 58 58 HIS H H 1 8.086 0.00 . 1 . . . . . 58 HIS H . 51565 1
217 . 1 . 1 58 58 HIS CA C 13 55.614 0.18 . 1 . . . . . 58 HIS CA . 51565 1
218 . 1 . 1 58 58 HIS CB C 13 28.499 0.07 . 1 . . . . . 58 HIS CB . 51565 1
219 . 1 . 1 58 58 HIS N N 15 117.443 0.00 . 1 . . . . . 58 HIS N . 51565 1
220 . 1 . 1 59 59 MET H H 1 8.100 0.00 . 1 . . . . . 59 MET H . 51565 1
221 . 1 . 1 59 59 MET CA C 13 55.784 0.11 . 1 . . . . . 59 MET CA . 51565 1
222 . 1 . 1 59 59 MET CB C 13 32.383 0.21 . 1 . . . . . 59 MET CB . 51565 1
223 . 1 . 1 59 59 MET N N 15 120.001 0.00 . 1 . . . . . 59 MET N . 51565 1
224 . 1 . 1 60 60 GLY H H 1 8.309 0.00 . 1 . . . . . 60 GLY H . 51565 1
225 . 1 . 1 60 60 GLY CA C 13 45.252 0.01 . 1 . . . . . 60 GLY CA . 51565 1
226 . 1 . 1 60 60 GLY N N 15 109.650 0.00 . 1 . . . . . 60 GLY N . 51565 1
227 . 1 . 1 61 61 ARG CB C 13 31.782 0.54 . 1 . . . . . 61 ARG CB . 51565 1
228 . 1 . 1 62 62 ARG H H 1 8.210 0.00 . 1 . . . . . 62 ARG H . 51565 1
229 . 1 . 1 62 62 ARG CA C 13 55.887 0.19 . 1 . . . . . 62 ARG CA . 51565 1
230 . 1 . 1 62 62 ARG CB C 13 30.538 0.08 . 1 . . . . . 62 ARG CB . 51565 1
231 . 1 . 1 62 62 ARG N N 15 123.031 0.00 . 1 . . . . . 62 ARG N . 51565 1
232 . 1 . 1 63 63 SER H H 1 8.223 0.00 . 1 . . . . . 63 SER H . 51565 1
233 . 1 . 1 63 63 SER CA C 13 58.108 0.01 . 1 . . . . . 63 SER CA . 51565 1
234 . 1 . 1 63 63 SER CB C 13 63.581 0.04 . 1 . . . . . 63 SER CB . 51565 1
235 . 1 . 1 63 63 SER N N 15 116.881 0.00 . 1 . . . . . 63 SER N . 51565 1
236 . 1 . 1 64 64 SER H H 1 8.273 0.00 . 1 . . . . . 64 SER H . 51565 1
237 . 1 . 1 64 64 SER CA C 13 58.255 0.05 . 1 . . . . . 64 SER CA . 51565 1
238 . 1 . 1 64 64 SER CB C 13 63.639 0.00 . 1 . . . . . 64 SER CB . 51565 1
239 . 1 . 1 64 64 SER N N 15 118.178 0.00 . 1 . . . . . 64 SER N . 51565 1
240 . 1 . 1 65 65 LYS CA C 13 56.281 0.08 . 1 . . . . . 65 LYS CA . 51565 1
241 . 1 . 1 65 65 LYS CB C 13 32.254 0.12 . 1 . . . . . 65 LYS CB . 51565 1
242 . 1 . 1 66 66 CYS H H 1 8.166 0.00 . 1 . . . . . 66 CYS H . 51565 1
243 . 1 . 1 66 66 CYS CA C 13 58.403 0.00 . 1 . . . . . 66 CYS CA . 51565 1
244 . 1 . 1 66 66 CYS CB C 13 27.884 0.00 . 1 . . . . . 66 CYS CB . 51565 1
245 . 1 . 1 66 66 CYS N N 15 119.994 0.00 . 1 . . . . . 66 CYS N . 51565 1
246 . 1 . 1 67 67 CYS CA C 13 58.125 0.29 . 1 . . . . . 67 CYS CA . 51565 1
247 . 1 . 1 67 67 CYS CB C 13 27.562 0.00 . 1 . . . . . 67 CYS CB . 51565 1
248 . 1 . 1 68 68 CYS H H 1 8.307 0.00 . 1 . . . . . 68 CYS H . 51565 1
249 . 1 . 1 68 68 CYS CA C 13 58.488 0.11 . 1 . . . . . 68 CYS CA . 51565 1
250 . 1 . 1 68 68 CYS CB C 13 27.806 0.15 . 1 . . . . . 68 CYS CB . 51565 1
251 . 1 . 1 68 68 CYS N N 15 121.742 0.00 . 1 . . . . . 68 CYS N . 51565 1
252 . 1 . 1 69 69 ILE H H 1 8.007 0.00 . 1 . . . . . 69 ILE H . 51565 1
253 . 1 . 1 69 69 ILE CA C 13 61.058 0.25 . 1 . . . . . 69 ILE CA . 51565 1
254 . 1 . 1 69 69 ILE CB C 13 38.532 0.06 . 1 . . . . . 69 ILE CB . 51565 1
255 . 1 . 1 69 69 ILE N N 15 123.025 0.00 . 1 . . . . . 69 ILE N . 51565 1
256 . 1 . 1 70 70 TYR H H 1 8.049 0.00 . 1 . . . . . 70 TYR H . 51565 1
257 . 1 . 1 70 70 TYR CA C 13 57.789 0.26 . 1 . . . . . 70 TYR CA . 51565 1
258 . 1 . 1 70 70 TYR CB C 13 38.637 0.21 . 1 . . . . . 70 TYR CB . 51565 1
259 . 1 . 1 70 70 TYR N N 15 124.194 0.00 . 1 . . . . . 70 TYR N . 51565 1
260 . 1 . 1 71 71 GLU H H 1 7.961 0.00 . 1 . . . . . 71 GLU H . 51565 1
261 . 1 . 1 71 71 GLU CA C 13 55.600 0.09 . 1 . . . . . 71 GLU CA . 51565 1
262 . 1 . 1 71 71 GLU CB C 13 30.666 0.00 . 1 . . . . . 71 GLU CB . 51565 1
263 . 1 . 1 71 71 GLU N N 15 123.547 0.00 . 1 . . . . . 71 GLU N . 51565 1
264 . 1 . 1 73 73 PRO CA C 13 62.955 0.05 . 1 . . . . . 73 PRO CA . 51565 1
265 . 1 . 1 73 73 PRO CB C 13 31.801 0.00 . 1 . . . . . 73 PRO CB . 51565 1
266 . 1 . 1 74 74 ARG H H 1 8.294 0.00 . 1 . . . . . 74 ARG H . 51565 1
267 . 1 . 1 74 74 ARG CA C 13 55.867 0.11 . 1 . . . . . 74 ARG CA . 51565 1
268 . 1 . 1 74 74 ARG CB C 13 30.726 0.07 . 1 . . . . . 74 ARG CB . 51565 1
269 . 1 . 1 74 74 ARG N N 15 122.118 0.00 . 1 . . . . . 74 ARG N . 51565 1
270 . 1 . 1 75 75 ALA H H 1 8.229 0.00 . 1 . . . . . 75 ALA H . 51565 1
271 . 1 . 1 75 75 ALA CA C 13 51.994 0.12 . 1 . . . . . 75 ALA CA . 51565 1
272 . 1 . 1 75 75 ALA CB C 13 19.086 0.14 . 1 . . . . . 75 ALA CB . 51565 1
273 . 1 . 1 75 75 ALA N N 15 125.605 0.00 . 1 . . . . . 75 ALA N . 51565 1
274 . 1 . 1 76 76 PHE H H 1 8.184 0.00 . 1 . . . . . 76 PHE H . 51565 1
275 . 1 . 1 76 76 PHE CA C 13 58.189 0.07 . 1 . . . . . 76 PHE CA . 51565 1
276 . 1 . 1 76 76 PHE CB C 13 39.278 0.13 . 1 . . . . . 76 PHE CB . 51565 1
277 . 1 . 1 76 76 PHE N N 15 120.050 0.00 . 1 . . . . . 76 PHE N . 51565 1
278 . 1 . 1 77 77 GLY H H 1 8.184 0.00 . 1 . . . . . 77 GLY H . 51565 1
279 . 1 . 1 77 77 GLY CA C 13 45.059 0.03 . 1 . . . . . 77 GLY CA . 51565 1
280 . 1 . 1 77 77 GLY N N 15 111.325 0.00 . 1 . . . . . 77 GLY N . 51565 1
281 . 1 . 1 78 78 GLU H H 1 7.996 0.00 . 1 . . . . . 78 GLU H . 51565 1
282 . 1 . 1 78 78 GLU CA C 13 56.252 0.07 . 1 . . . . . 78 GLU CA . 51565 1
283 . 1 . 1 78 78 GLU CB C 13 30.305 0.11 . 1 . . . . . 78 GLU CB . 51565 1
284 . 1 . 1 78 78 GLU N N 15 120.444 0.00 . 1 . . . . . 78 GLU N . 51565 1
285 . 1 . 1 79 79 SER H H 1 8.306 0.00 . 1 . . . . . 79 SER H . 51565 1
286 . 1 . 1 79 79 SER CA C 13 58.126 0.01 . 1 . . . . . 79 SER CA . 51565 1
287 . 1 . 1 79 79 SER CB C 13 63.584 0.06 . 1 . . . . . 79 SER CB . 51565 1
288 . 1 . 1 79 79 SER N N 15 116.901 0.00 . 1 . . . . . 79 SER N . 51565 1
289 . 1 . 1 80 80 SER H H 1 8.309 0.00 . 1 . . . . . 80 SER H . 51565 1
290 . 1 . 1 80 80 SER CA C 13 58.260 0.16 . 1 . . . . . 80 SER CA . 51565 1
291 . 1 . 1 80 80 SER CB C 13 63.562 0.12 . 1 . . . . . 80 SER CB . 51565 1
292 . 1 . 1 80 80 SER N N 15 117.928 0.00 . 1 . . . . . 80 SER N . 51565 1
293 . 1 . 1 81 81 THR H H 1 8.122 0.00 . 1 . . . . . 81 THR H . 51565 1
294 . 1 . 1 81 81 THR CA C 13 61.826 0.18 . 1 . . . . . 81 THR CA . 51565 1
295 . 1 . 1 81 81 THR CB C 13 69.516 0.06 . 1 . . . . . 81 THR CB . 51565 1
296 . 1 . 1 81 81 THR N N 15 115.440 0.00 . 1 . . . . . 81 THR N . 51565 1
297 . 1 . 1 82 82 GLU H H 1 8.228 0.00 . 1 . . . . . 82 GLU H . 51565 1
298 . 1 . 1 82 82 GLU CA C 13 56.354 0.15 . 1 . . . . . 82 GLU CA . 51565 1
299 . 1 . 1 82 82 GLU CB C 13 30.101 0.05 . 1 . . . . . 82 GLU CB . 51565 1
300 . 1 . 1 82 82 GLU N N 15 122.738 0.00 . 1 . . . . . 82 GLU N . 51565 1
301 . 1 . 1 83 83 SER H H 1 8.151 0.00 . 1 . . . . . 83 SER H . 51565 1
302 . 1 . 1 83 83 SER CA C 13 58.059 0.08 . 1 . . . . . 83 SER CA . 51565 1
303 . 1 . 1 83 83 SER CB C 13 63.928 0.13 . 1 . . . . . 83 SER CB . 51565 1
304 . 1 . 1 83 83 SER N N 15 116.694 0.00 . 1 . . . . . 83 SER N . 51565 1
305 . 1 . 1 84 84 ASP H H 1 7.884 0.00 . 1 . . . . . 84 ASP H . 51565 1
306 . 1 . 1 84 84 ASP CA C 13 55.822 0.04 . 1 . . . . . 84 ASP CA . 51565 1
307 . 1 . 1 84 84 ASP CB C 13 41.661 0.00 . 1 . . . . . 84 ASP CB . 51565 1
308 . 1 . 1 84 84 ASP N N 15 107.625 0.00 . 1 . . . . . 84 ASP N . 51565 1
stop_
save_