###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17383
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '3D 1H-15N NOESY' . . . 17383 1
3 '3D HNCA' . . . 17383 1
4 '3D HNCACB' . . . 17383 1
6 '3D CBCA(CO)NH' . . . 17383 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ARG H H 1 8.539 . . 1 . . . . 29 ARG HN . 17383 1
2 . 1 1 1 1 ARG HA H 1 4.251 . . 1 . . . . 29 ARG HA . 17383 1
3 . 1 1 1 1 ARG CA C 13 56.423 . . 1 . . . . 29 ARG CA . 17383 1
4 . 1 1 1 1 ARG CB C 13 30.601 . . 1 . . . . 29 ARG CB . 17383 1
5 . 1 1 1 1 ARG N N 15 122.619 . . 1 . . . . 29 ARG N . 17383 1
6 . 1 1 2 2 GLU H H 1 8.404 . . 1 . . . . 30 GLU HN . 17383 1
7 . 1 1 2 2 GLU HA H 1 4.251 . . 1 . . . . 30 GLU HA . 17383 1
8 . 1 1 2 2 GLU CA C 13 56.474 . . 1 . . . . 30 GLU CA . 17383 1
9 . 1 1 2 2 GLU CB C 13 30.388 . . 1 . . . . 30 GLU CB . 17383 1
10 . 1 1 2 2 GLU N N 15 121.916 . . 1 . . . . 30 GLU N . 17383 1
11 . 1 1 3 3 LEU H H 1 8.177 . . 1 . . . . 31 LEU HN . 17383 1
12 . 1 1 3 3 LEU HA H 1 4.289 . . 1 . . . . 31 LEU HA . 17383 1
13 . 1 1 3 3 LEU CA C 13 55.085 . . 1 . . . . 31 LEU CA . 17383 1
14 . 1 1 3 3 LEU CB C 13 42.411 . . 1 . . . . 31 LEU CB . 17383 1
15 . 1 1 3 3 LEU N N 15 123.439 . . 1 . . . . 31 LEU N . 17383 1
16 . 1 1 4 4 LYS H H 1 8.228 . . 1 . . . . 32 LYS HN . 17383 1
17 . 1 1 4 4 LYS HA H 1 4.520 . . 1 . . . . 32 LYS HA . 17383 1
18 . 1 1 4 4 LYS CA C 13 53.895 . . 1 . . . . 32 LYS CA . 17383 1
19 . 1 1 4 4 LYS CB C 13 32.404 . . 1 . . . . 32 LYS CB . 17383 1
20 . 1 1 4 4 LYS N N 15 123.645 . . 1 . . . . 32 LYS N . 17383 1
21 . 1 1 5 5 PRO HA H 1 4.289 . . 1 . . . . 33 PRO HA . 17383 1
22 . 1 1 5 5 PRO CA C 13 62.794 . . 1 . . . . 33 PRO CA . 17383 1
23 . 1 1 5 5 PRO CB C 13 32.542 . . 1 . . . . 33 PRO CB . 17383 1
24 . 1 1 6 6 GLN H H 1 8.278 . . 1 . . . . 34 GLN HN . 17383 1
25 . 1 1 6 6 GLN HA H 1 4.206 . . 1 . . . . 34 GLN HA . 17383 1
26 . 1 1 6 6 GLN CA C 13 55.153 . . 1 . . . . 34 GLN CA . 17383 1
27 . 1 1 6 6 GLN CB C 13 29.843 . . 1 . . . . 34 GLN CB . 17383 1
28 . 1 1 6 6 GLN N N 15 119.956 . . 1 . . . . 34 GLN N . 17383 1
29 . 1 1 7 7 THR H H 1 8.102 . . 1 . . . . 35 THR HN . 17383 1
30 . 1 1 7 7 THR HA H 1 3.726 . . 1 . . . . 35 THR HA . 17383 1
31 . 1 1 7 7 THR CA C 13 64.131 . . 1 . . . . 35 THR CA . 17383 1
32 . 1 1 7 7 THR CB C 13 70.033 . . 1 . . . . 35 THR CB . 17383 1
33 . 1 1 7 7 THR N N 15 116.865 . . 1 . . . . 35 THR N . 17383 1
34 . 1 1 8 8 CYS H H 1 8.160 . . 1 . . . . 36 CYS HN . 17383 1
35 . 1 1 8 8 CYS HA H 1 4.439 . . 1 . . . . 36 CYS HA . 17383 1
36 . 1 1 8 8 CYS CA C 13 59.591 . . 1 . . . . 36 CYS CA . 17383 1
37 . 1 1 8 8 CYS CB C 13 30.329 . . 1 . . . . 36 CYS CB . 17383 1
38 . 1 1 8 8 CYS N N 15 128.681 . . 1 . . . . 36 CYS N . 17383 1
39 . 1 1 9 9 THR H H 1 9.553 . . 1 . . . . 37 THR HN . 17383 1
40 . 1 1 9 9 THR HB H 1 4.064 . . 1 . . . . 37 THR HB . 17383 1
41 . 1 1 9 9 THR CA C 13 63.839 . . 1 . . . . 37 THR CA . 17383 1
42 . 1 1 9 9 THR CB C 13 69.111 . . 1 . . . . 37 THR CB . 17383 1
43 . 1 1 9 9 THR N N 15 121.780 . . 1 . . . . 37 THR N . 17383 1
44 . 1 1 10 10 ILE H H 1 8.434 . . 1 . . . . 38 ILE HN . 17383 1
45 . 1 1 10 10 ILE HA H 1 4.101 . . 1 . . . . 38 ILE HA . 17383 1
46 . 1 1 10 10 ILE HB H 1 1.776 . . 1 . . . . 38 ILE HB . 17383 1
47 . 1 1 10 10 ILE CA C 13 63.370 . . 1 . . . . 38 ILE CA . 17383 1
48 . 1 1 10 10 ILE CB C 13 38.176 . . 1 . . . . 38 ILE CB . 17383 1
49 . 1 1 10 10 ILE N N 15 122.421 . . 1 . . . . 38 ILE N . 17383 1
50 . 1 1 11 11 CYS H H 1 8.240 . . 1 . . . . 39 CYS HN . 17383 1
51 . 1 1 11 11 CYS HA H 1 4.589 . . 1 . . . . 39 CYS HA . 17383 1
52 . 1 1 11 11 CYS CA C 13 59.322 . . 1 . . . . 39 CYS CA . 17383 1
53 . 1 1 11 11 CYS CB C 13 31.036 . . 1 . . . . 39 CYS CB . 17383 1
54 . 1 1 11 11 CYS N N 15 117.943 . . 1 . . . . 39 CYS N . 17383 1
55 . 1 1 12 12 GLU H H 1 7.496 . . 1 . . . . 40 GLU HN . 17383 1
56 . 1 1 12 12 GLU HA H 1 3.914 . . 1 . . . . 40 GLU HA . 17383 1
57 . 1 1 12 12 GLU CA C 13 58.070 . . 1 . . . . 40 GLU CA . 17383 1
58 . 1 1 12 12 GLU CB C 13 26.699 . . 1 . . . . 40 GLU CB . 17383 1
59 . 1 1 12 12 GLU N N 15 113.915 . . 1 . . . . 40 GLU N . 17383 1
60 . 1 1 13 13 THR H H 1 8.463 . . 1 . . . . 41 THR HN . 17383 1
61 . 1 1 13 13 THR HA H 1 4.251 . . 1 . . . . 41 THR HA . 17383 1
62 . 1 1 13 13 THR HB H 1 4.626 . . 1 . . . . 41 THR HB . 17383 1
63 . 1 1 13 13 THR CA C 13 62.208 . . 1 . . . . 41 THR CA . 17383 1
64 . 1 1 13 13 THR CB C 13 70.690 . . 1 . . . . 41 THR CB . 17383 1
65 . 1 1 13 13 THR N N 15 115.758 . . 1 . . . . 41 THR N . 17383 1
66 . 1 1 14 14 THR H H 1 8.791 . . 1 . . . . 42 THR HN . 17383 1
67 . 1 1 14 14 THR HA H 1 4.422 . . 1 . . . . 42 THR HA . 17383 1
68 . 1 1 14 14 THR CA C 13 60.862 . . 1 . . . . 42 THR CA . 17383 1
69 . 1 1 14 14 THR N N 15 121.689 . . 1 . . . . 42 THR N . 17383 1
70 . 1 1 15 15 PRO HA H 1 4.326 . . 1 . . . . 43 PRO HA . 17383 1
71 . 1 1 15 15 PRO CA C 13 61.956 . . 1 . . . . 43 PRO CA . 17383 1
72 . 1 1 16 16 VAL H H 1 9.959 . . 1 . . . . 44 VAL HN . 17383 1
73 . 1 1 16 16 VAL HA H 1 4.026 . . 1 . . . . 44 VAL HA . 17383 1
74 . 1 1 16 16 VAL HB H 1 2.301 . . 1 . . . . 44 VAL HB . 17383 1
75 . 1 1 16 16 VAL CA C 13 63.696 . . 1 . . . . 44 VAL CA . 17383 1
76 . 1 1 16 16 VAL CB C 13 32.182 . . 1 . . . . 44 VAL CB . 17383 1
77 . 1 1 16 16 VAL N N 15 115.711 . . 1 . . . . 44 VAL N . 17383 1
78 . 1 1 17 17 ASN H H 1 7.442 . . 1 . . . . 45 ASN HN . 17383 1
79 . 1 1 17 17 ASN HA H 1 4.514 . . 1 . . . . 45 ASN HA . 17383 1
80 . 1 1 17 17 ASN CA C 13 52.236 . . 1 . . . . 45 ASN CA . 17383 1
81 . 1 1 17 17 ASN CB C 13 39.547 . . 1 . . . . 45 ASN CB . 17383 1
82 . 1 1 17 17 ASN N N 15 112.059 . . 1 . . . . 45 ASN N . 17383 1
83 . 1 1 18 18 ALA H H 1 8.841 . . 1 . . . . 46 ALA HN . 17383 1
84 . 1 1 18 18 ALA HA H 1 4.176 . . 1 . . . . 46 ALA HA . 17383 1
85 . 1 1 18 18 ALA CA C 13 55.854 . . 1 . . . . 46 ALA CA . 17383 1
86 . 1 1 18 18 ALA CB C 13 18.389 . . 1 . . . . 46 ALA CB . 17383 1
87 . 1 1 18 18 ALA N N 15 121.144 . . 1 . . . . 46 ALA N . 17383 1
88 . 1 1 19 19 ILE H H 1 7.816 . . 1 . . . . 47 ILE HN . 17383 1
89 . 1 1 19 19 ILE HA H 1 3.914 . . 1 . . . . 47 ILE HA . 17383 1
90 . 1 1 19 19 ILE HB H 1 1.851 . . 1 . . . . 47 ILE HB . 17383 1
91 . 1 1 19 19 ILE CA C 13 64.077 . . 1 . . . . 47 ILE CA . 17383 1
92 . 1 1 19 19 ILE CB C 13 37.537 . . 1 . . . . 47 ILE CB . 17383 1
93 . 1 1 19 19 ILE N N 15 120.643 . . 1 . . . . 47 ILE N . 17383 1
94 . 1 1 20 20 ASP H H 1 8.261 . . 1 . . . . 48 ASP HN . 17383 1
95 . 1 1 20 20 ASP HA H 1 4.694 . . 1 . . . . 48 ASP HA . 17383 1
96 . 1 1 20 20 ASP CA C 13 56.461 . . 1 . . . . 48 ASP CA . 17383 1
97 . 1 1 20 20 ASP CB C 13 41.389 . . 1 . . . . 48 ASP CB . 17383 1
98 . 1 1 20 20 ASP N N 15 120.423 . . 1 . . . . 48 ASP N . 17383 1
99 . 1 1 21 21 ALA HA H 1 3.839 . . 1 . . . . 49 ALA HA . 17383 1
100 . 1 1 21 21 ALA CA C 13 56.109 . . 1 . . . . 49 ALA CA . 17383 1
101 . 1 1 21 21 ALA CB C 13 17.850 . . 1 . . . . 49 ALA CB . 17383 1
102 . 1 1 22 22 GLU H H 1 7.715 . . 1 . . . . 50 GLU HN . 17383 1
103 . 1 1 22 22 GLU HA H 1 4.214 . . 1 . . . . 50 GLU HA . 17383 1
104 . 1 1 22 22 GLU CA C 13 59.496 . . 1 . . . . 50 GLU CA . 17383 1
105 . 1 1 22 22 GLU CB C 13 29.367 . . 1 . . . . 50 GLU CB . 17383 1
106 . 1 1 22 22 GLU N N 15 119.591 . . 1 . . . . 50 GLU N . 17383 1
107 . 1 1 23 23 MET H H 1 7.992 . . 1 . . . . 51 MET HN . 17383 1
108 . 1 1 23 23 MET HA H 1 4.269 . . 1 . . . . 51 MET HA . 17383 1
109 . 1 1 23 23 MET CA C 13 58.283 . . 1 . . . . 51 MET CA . 17383 1
110 . 1 1 23 23 MET CB C 13 31.891 . . 1 . . . . 51 MET CB . 17383 1
111 . 1 1 23 23 MET N N 15 118.274 . . 1 . . . . 51 MET N . 17383 1
112 . 1 1 24 24 HIS H H 1 8.068 . . 1 . . . . 52 HIS HN . 17383 1
113 . 1 1 24 24 HIS HA H 1 4.739 . . 1 . . . . 52 HIS HA . 17383 1
114 . 1 1 24 24 HIS CA C 13 60.871 . . 1 . . . . 52 HIS CA . 17383 1
115 . 1 1 24 24 HIS CB C 13 29.995 . . 1 . . . . 52 HIS CB . 17383 1
116 . 1 1 24 24 HIS N N 15 120.999 . . 1 . . . . 52 HIS N . 17383 1
117 . 1 1 25 25 ASP H H 1 8.068 . . 1 . . . . 53 ASP HN . 17383 1
118 . 1 1 25 25 ASP HA H 1 4.476 . . 1 . . . . 53 ASP HA . 17383 1
119 . 1 1 25 25 ASP CA C 13 57.838 . . 1 . . . . 53 ASP CA . 17383 1
120 . 1 1 25 25 ASP CB C 13 40.828 . . 1 . . . . 53 ASP CB . 17383 1
121 . 1 1 25 25 ASP N N 15 120.713 . . 1 . . . . 53 ASP N . 17383 1
122 . 1 1 26 26 LEU H H 1 7.939 . . 1 . . . . 54 LEU HN . 17383 1
123 . 1 1 26 26 LEU HA H 1 4.364 . . 1 . . . . 54 LEU HA . 17383 1
124 . 1 1 26 26 LEU CA C 13 56.467 . . 1 . . . . 54 LEU CA . 17383 1
125 . 1 1 26 26 LEU CB C 13 43.880 . . 1 . . . . 54 LEU CB . 17383 1
126 . 1 1 26 26 LEU N N 15 116.467 . . 1 . . . . 54 LEU N . 17383 1
127 . 1 1 27 27 ASN H H 1 7.547 . . 1 . . . . 55 ASN HN . 17383 1
128 . 1 1 27 27 ASN HA H 1 5.001 . . 1 . . . . 55 ASN HA . 17383 1
129 . 1 1 27 27 ASN CA C 13 56.913 . . 1 . . . . 55 ASN CA . 17383 1
130 . 1 1 27 27 ASN CB C 13 41.143 . . 1 . . . . 55 ASN CB . 17383 1
131 . 1 1 27 27 ASN N N 15 114.750 . . 1 . . . . 55 ASN N . 17383 1
132 . 1 1 28 28 CYS H H 1 9.048 . . 1 . . . . 56 CYS HN . 17383 1
133 . 1 1 28 28 CYS HA H 1 4.064 . . 1 . . . . 56 CYS HA . 17383 1
134 . 1 1 28 28 CYS CA C 13 66.429 . . 1 . . . . 56 CYS CA . 17383 1
135 . 1 1 28 28 CYS CB C 13 28.008 . . 1 . . . . 56 CYS CB . 17383 1
136 . 1 1 28 28 CYS N N 15 124.595 . . 1 . . . . 56 CYS N . 17383 1
137 . 1 1 29 29 SER H H 1 8.261 . . 1 . . . . 57 SER HN . 17383 1
138 . 1 1 29 29 SER HA H 1 3.914 . . 1 . . . . 57 SER HA . 17383 1
139 . 1 1 29 29 SER CA C 13 60.916 . . 1 . . . . 57 SER CA . 17383 1
140 . 1 1 29 29 SER CB C 13 62.228 . . 1 . . . . 57 SER CB . 17383 1
141 . 1 1 29 29 SER N N 15 112.566 . . 1 . . . . 57 SER N . 17383 1
142 . 1 1 30 30 TYR H H 1 7.530 . . 1 . . . . 58 TYR HN . 17383 1
143 . 1 1 30 30 TYR HA H 1 4.551 . . 1 . . . . 58 TYR HA . 17383 1
144 . 1 1 30 30 TYR CA C 13 57.310 . . 1 . . . . 58 TYR CA . 17383 1
145 . 1 1 30 30 TYR CB C 13 38.507 . . 1 . . . . 58 TYR CB . 17383 1
146 . 1 1 30 30 TYR N N 15 119.570 . . 1 . . . . 58 TYR N . 17383 1
147 . 1 1 31 31 ASN H H 1 8.169 . . 1 . . . . 59 ASN HN . 17383 1
148 . 1 1 31 31 ASN HA H 1 4.139 . . 1 . . . . 59 ASN HA . 17383 1
149 . 1 1 31 31 ASN CA C 13 55.159 . . 1 . . . . 59 ASN CA . 17383 1
150 . 1 1 31 31 ASN CB C 13 36.838 . . 1 . . . . 59 ASN CB . 17383 1
151 . 1 1 31 31 ASN N N 15 114.116 . . 1 . . . . 59 ASN N . 17383 1
152 . 1 1 32 32 ILE H H 1 7.328 . . 1 . . . . 60 ILE HN . 17383 1
153 . 1 1 32 32 ILE HA H 1 4.502 . . 1 . . . . 60 ILE HA . 17383 1
154 . 1 1 32 32 ILE CA C 13 58.937 . . 1 . . . . 60 ILE CA . 17383 1
155 . 1 1 32 32 ILE CB C 13 40.207 . . 1 . . . . 60 ILE CB . 17383 1
156 . 1 1 32 32 ILE N N 15 119.165 . . 1 . . . . 60 ILE N . 17383 1
157 . 1 1 33 33 CYS HA H 1 4.373 . . 1 . . . . 61 CYS HA . 17383 1
158 . 1 1 33 33 CYS CA C 13 58.960 . . 1 . . . . 61 CYS CA . 17383 1
159 . 1 1 33 33 CYS CB C 13 40.229 . . 1 . . . . 61 CYS CB . 17383 1
160 . 1 1 34 34 PRO HA H 1 3.951 . . 1 . . . . 62 PRO HA . 17383 1
161 . 1 1 34 34 PRO CA C 13 60.274 . . 1 . . . . 62 PRO CA . 17383 1
162 . 1 1 34 34 PRO CB C 13 31.579 . . 1 . . . . 62 PRO CB . 17383 1
163 . 1 1 35 35 TYR H H 1 9.245 . . 1 . . . . 63 TYR HN . 17383 1
164 . 1 1 35 35 TYR HA H 1 4.551 . . 1 . . . . 63 TYR HA . 17383 1
165 . 1 1 35 35 TYR CA C 13 59.625 . . 1 . . . . 63 TYR CA . 17383 1
166 . 1 1 35 35 TYR CB C 13 39.249 . . 1 . . . . 63 TYR CB . 17383 1
167 . 1 1 35 35 TYR N N 15 120.011 . . 1 . . . . 63 TYR N . 17383 1
168 . 1 1 36 36 CYS H H 1 8.505 . . 1 . . . . 64 CYS HN . 17383 1
169 . 1 1 36 36 CYS HA H 1 5.001 . . 1 . . . . 64 CYS HA . 17383 1
170 . 1 1 36 36 CYS CA C 13 58.158 . . 1 . . . . 64 CYS CA . 17383 1
171 . 1 1 36 36 CYS CB C 13 32.484 . . 1 . . . . 64 CYS CB . 17383 1
172 . 1 1 36 36 CYS N N 15 117.569 . . 1 . . . . 64 CYS N . 17383 1
173 . 1 1 37 37 ALA H H 1 7.774 . . 1 . . . . 65 ALA HN . 17383 1
174 . 1 1 37 37 ALA HA H 1 4.064 . . 1 . . . . 65 ALA HA . 17383 1
175 . 1 1 37 37 ALA CA C 13 53.975 . . 1 . . . . 65 ALA CA . 17383 1
176 . 1 1 37 37 ALA CB C 13 16.705 . . 1 . . . . 65 ALA CB . 17383 1
177 . 1 1 37 37 ALA N N 15 121.088 . . 1 . . . . 65 ALA N . 17383 1
178 . 1 1 38 38 SER H H 1 8.131 . . 1 . . . . 66 SER HN . 17383 1
179 . 1 1 38 38 SER HA H 1 4.214 . . 1 . . . . 66 SER HA . 17383 1
180 . 1 1 38 38 SER CA C 13 60.741 . . 1 . . . . 66 SER CA . 17383 1
181 . 1 1 38 38 SER CB C 13 62.814 . . 1 . . . . 66 SER CB . 17383 1
182 . 1 1 38 38 SER N N 15 117.192 . . 1 . . . . 66 SER N . 17383 1
183 . 1 1 39 39 ARG H H 1 8.425 . . 1 . . . . 67 ARG HN . 17383 1
184 . 1 1 39 39 ARG HA H 1 4.514 . . 1 . . . . 67 ARG HA . 17383 1
185 . 1 1 39 39 ARG CA C 13 56.361 . . 1 . . . . 67 ARG CA . 17383 1
186 . 1 1 39 39 ARG CB C 13 30.086 . . 1 . . . . 67 ARG CB . 17383 1
187 . 1 1 39 39 ARG N N 15 123.723 . . 1 . . . . 67 ARG N . 17383 1
188 . 1 1 40 40 LEU H H 1 8.555 . . 1 . . . . 68 LEU HN . 17383 1
189 . 1 1 40 40 LEU HA H 1 4.712 . . 1 . . . . 68 LEU HA . 17383 1
190 . 1 1 40 40 LEU CA C 13 52.718 . . 1 . . . . 68 LEU CA . 17383 1
191 . 1 1 40 40 LEU CB C 13 43.474 . . 1 . . . . 68 LEU CB . 17383 1
192 . 1 1 40 40 LEU N N 15 129.550 . . 1 . . . . 68 LEU N . 17383 1
193 . 1 1 41 41 THR H H 1 7.544 . . 1 . . . . 69 THR HN . 17383 1
194 . 1 1 41 41 THR HA H 1 4.551 . . 1 . . . . 69 THR HA . 17383 1
195 . 1 1 41 41 THR CA C 13 60.455 . . 1 . . . . 69 THR CA . 17383 1
196 . 1 1 41 41 THR CB C 13 70.951 . . 1 . . . . 69 THR CB . 17383 1
197 . 1 1 41 41 THR N N 15 108.645 . . 1 . . . . 69 THR N . 17383 1
198 . 1 1 42 42 SER H H 1 8.934 . . 1 . . . . 70 SER HN . 17383 1
199 . 1 1 42 42 SER HA H 1 4.139 . . 1 . . . . 70 SER HA . 17383 1
200 . 1 1 42 42 SER CA C 13 61.501 . . 1 . . . . 70 SER CA . 17383 1
201 . 1 1 42 42 SER CB C 13 62.535 . . 1 . . . . 70 SER CB . 17383 1
202 . 1 1 42 42 SER N N 15 117.320 . . 1 . . . . 70 SER N . 17383 1
203 . 1 1 43 43 ASP H H 1 8.354 . . 1 . . . . 71 ASP HN . 17383 1
204 . 1 1 43 43 ASP HA H 1 4.589 . . 1 . . . . 71 ASP HA . 17383 1
205 . 1 1 43 43 ASP CA C 13 55.178 . . 1 . . . . 71 ASP CA . 17383 1
206 . 1 1 43 43 ASP CB C 13 40.374 . . 1 . . . . 71 ASP CB . 17383 1
207 . 1 1 43 43 ASP N N 15 117.899 . . 1 . . . . 71 ASP N . 17383 1
208 . 1 1 44 44 GLY H H 1 7.715 . . 1 . . . . 72 GLY HN . 17383 1
209 . 1 1 44 44 GLY HA2 H 1 3.714 . . 2 . . . . 72 GLY HA2 . 17383 1
210 . 1 1 44 44 GLY HA3 H 1 4.278 . . 2 . . . . 72 GLY HA3 . 17383 1
211 . 1 1 44 44 GLY CA C 13 45.266 . . 1 . . . . 72 GLY CA . 17383 1
212 . 1 1 44 44 GLY N N 15 106.453 . . 1 . . . . 72 GLY N . 17383 1
213 . 1 1 45 45 LEU H H 1 7.702 . . 1 . . . . 73 LEU HN . 17383 1
214 . 1 1 45 45 LEU HA H 1 4.026 . . 1 . . . . 73 LEU HA . 17383 1
215 . 1 1 45 45 LEU CA C 13 59.430 . . 1 . . . . 73 LEU CA . 17383 1
216 . 1 1 45 45 LEU CB C 13 41.957 . . 1 . . . . 73 LEU CB . 17383 1
217 . 1 1 45 45 LEU N N 15 123.902 . . 1 . . . . 73 LEU N . 17383 1
218 . 1 1 46 46 ALA H H 1 8.732 . . 1 . . . . 74 ALA HN . 17383 1
219 . 1 1 46 46 ALA HA H 1 4.289 . . 1 . . . . 74 ALA HA . 17383 1
220 . 1 1 46 46 ALA CA C 13 56.229 . . 1 . . . . 74 ALA CA . 17383 1
221 . 1 1 46 46 ALA CB C 13 18.007 . . 1 . . . . 74 ALA CB . 17383 1
222 . 1 1 46 46 ALA N N 15 121.273 . . 1 . . . . 74 ALA N . 17383 1
223 . 1 1 47 47 ARG H H 1 8.287 . . 1 . . . . 75 ARG HN . 17383 1
224 . 1 1 47 47 ARG HA H 1 4.064 . . 1 . . . . 75 ARG HA . 17383 1
225 . 1 1 47 47 ARG CA C 13 58.343 . . 1 . . . . 75 ARG CA . 17383 1
226 . 1 1 47 47 ARG CB C 13 30.122 . . 1 . . . . 75 ARG CB . 17383 1
227 . 1 1 47 47 ARG N N 15 117.070 . . 1 . . . . 75 ARG N . 17383 1
228 . 1 1 48 48 HIS H H 1 7.799 . . 1 . . . . 76 HIS HN . 17383 1
229 . 1 1 48 48 HIS HA H 1 4.251 . . 1 . . . . 76 HIS HA . 17383 1
230 . 1 1 48 48 HIS CA C 13 59.690 . . 1 . . . . 76 HIS CA . 17383 1
231 . 1 1 48 48 HIS CB C 13 29.060 . . 1 . . . . 76 HIS CB . 17383 1
232 . 1 1 48 48 HIS N N 15 116.129 . . 1 . . . . 76 HIS N . 17383 1
233 . 1 1 49 49 VAL H H 1 8.869 . . 1 . . . . 77 VAL HN . 17383 1
234 . 1 1 49 49 VAL HA H 1 3.576 . . 1 . . . . 77 VAL HA . 17383 1
235 . 1 1 49 49 VAL HB H 1 2.263 . . 1 . . . . 77 VAL HB . 17383 1
236 . 1 1 49 49 VAL CA C 13 67.776 . . 1 . . . . 77 VAL CA . 17383 1
237 . 1 1 49 49 VAL CB C 13 32.400 . . 1 . . . . 77 VAL CB . 17383 1
238 . 1 1 49 49 VAL N N 15 119.033 . . 1 . . . . 77 VAL N . 17383 1
239 . 1 1 50 50 THR H H 1 7.723 . . 1 . . . . 78 THR HN . 17383 1
240 . 1 1 50 50 THR HA H 1 3.870 . . 1 . . . . 78 THR HA . 17383 1
241 . 1 1 50 50 THR CA C 13 65.714 . . 1 . . . . 78 THR CA . 17383 1
242 . 1 1 50 50 THR CB C 13 69.058 . . 1 . . . . 78 THR CB . 17383 1
243 . 1 1 50 50 THR N N 15 110.079 . . 1 . . . . 78 THR N . 17383 1
244 . 1 1 51 51 GLN H H 1 7.017 . . 1 . . . . 79 GLN HN . 17383 1
245 . 1 1 51 51 GLN HA H 1 4.476 . . 1 . . . . 79 GLN HA . 17383 1
246 . 1 1 51 51 GLN CA C 13 54.277 . . 1 . . . . 79 GLN CA . 17383 1
247 . 1 1 51 51 GLN CB C 13 29.278 . . 1 . . . . 79 GLN CB . 17383 1
248 . 1 1 51 51 GLN N N 15 116.322 . . 1 . . . . 79 GLN N . 17383 1
249 . 1 1 52 52 CYS H H 1 7.253 . . 1 . . . . 80 CYS HN . 17383 1
250 . 1 1 52 52 CYS HA H 1 3.973 . . 1 . . . . 80 CYS HA . 17383 1
251 . 1 1 52 52 CYS CA C 13 58.624 . . 1 . . . . 80 CYS CA . 17383 1
252 . 1 1 52 52 CYS N N 15 127.046 . . 1 . . . . 80 CYS N . 17383 1
253 . 1 1 53 53 PRO HA H 1 4.326 . . 1 . . . . 81 PRO HA . 17383 1
254 . 1 1 53 53 PRO CA C 13 65.023 . . 1 . . . . 81 PRO CA . 17383 1
255 . 1 1 54 54 LYS H H 1 8.163 . . 1 . . . . 82 LYS HN . 17383 1
256 . 1 1 54 54 LYS HA H 1 4.289 . . 1 . . . . 82 LYS HA . 17383 1
257 . 1 1 54 54 LYS CA C 13 56.558 . . 1 . . . . 82 LYS CA . 17383 1
258 . 1 1 54 54 LYS CB C 13 32.063 . . 1 . . . . 82 LYS CB . 17383 1
259 . 1 1 54 54 LYS N N 15 117.973 . . 1 . . . . 82 LYS N . 17383 1
260 . 1 1 55 55 ARG H H 1 7.152 . . 1 . . . . 83 ARG HN . 17383 1
261 . 1 1 55 55 ARG HA H 1 3.089 . . 1 . . . . 83 ARG HA . 17383 1
262 . 1 1 55 55 ARG CA C 13 59.477 . . 1 . . . . 83 ARG CA . 17383 1
263 . 1 1 55 55 ARG CB C 13 29.781 . . 1 . . . . 83 ARG CB . 17383 1
264 . 1 1 55 55 ARG N N 15 123.340 . . 1 . . . . 83 ARG N . 17383 1
265 . 1 1 56 56 LYS H H 1 7.499 . . 1 . . . . 84 LYS HN . 17383 1
266 . 1 1 56 56 LYS HA H 1 3.764 . . 1 . . . . 84 LYS HA . 17383 1
267 . 1 1 56 56 LYS CA C 13 59.641 . . 1 . . . . 84 LYS CA . 17383 1
268 . 1 1 56 56 LYS CB C 13 31.826 . . 1 . . . . 84 LYS CB . 17383 1
269 . 1 1 56 56 LYS N N 15 118.510 . . 1 . . . . 84 LYS N . 17383 1
270 . 1 1 57 57 GLU H H 1 7.698 . . 1 . . . . 85 GLU HN . 17383 1
271 . 1 1 57 57 GLU HA H 1 4.345 . . 1 . . . . 85 GLU HA . 17383 1
272 . 1 1 57 57 GLU CA C 13 59.048 . . 1 . . . . 85 GLU CA . 17383 1
273 . 1 1 57 57 GLU CB C 13 30.156 . . 1 . . . . 85 GLU CB . 17383 1
274 . 1 1 57 57 GLU N N 15 116.424 . . 1 . . . . 85 GLU N . 17383 1
275 . 1 1 58 58 LYS H H 1 7.906 . . 1 . . . . 86 LYS HN . 17383 1
276 . 1 1 58 58 LYS HA H 1 4.289 . . 1 . . . . 86 LYS HA . 17383 1
277 . 1 1 58 58 LYS CA C 13 57.794 . . 1 . . . . 86 LYS CA . 17383 1
278 . 1 1 58 58 LYS CB C 13 30.924 . . 1 . . . . 86 LYS CB . 17383 1
279 . 1 1 58 58 LYS N N 15 120.976 . . 1 . . . . 86 LYS N . 17383 1
280 . 1 1 59 59 VAL H H 1 8.491 . . 1 . . . . 87 VAL HN . 17383 1
281 . 1 1 59 59 VAL HA H 1 3.651 . . 1 . . . . 87 VAL HA . 17383 1
282 . 1 1 59 59 VAL HB H 1 2.113 . . 1 . . . . 87 VAL HB . 17383 1
283 . 1 1 59 59 VAL CA C 13 66.372 . . 1 . . . . 87 VAL CA . 17383 1
284 . 1 1 59 59 VAL CB C 13 31.782 . . 1 . . . . 87 VAL CB . 17383 1
285 . 1 1 59 59 VAL N N 15 121.284 . . 1 . . . . 87 VAL N . 17383 1
286 . 1 1 60 60 GLU H H 1 8.144 . . 1 . . . . 88 GLU HN . 17383 1
287 . 1 1 60 60 GLU HA H 1 4.064 . . 1 . . . . 88 GLU HA . 17383 1
288 . 1 1 60 60 GLU CA C 13 59.269 . . 1 . . . . 88 GLU CA . 17383 1
289 . 1 1 60 60 GLU CB C 13 29.217 . . 1 . . . . 88 GLU CB . 17383 1
290 . 1 1 60 60 GLU N N 15 120.018 . . 1 . . . . 88 GLU N . 17383 1
291 . 1 1 61 61 GLU H H 1 7.976 . . 1 . . . . 89 GLU HN . 17383 1
292 . 1 1 61 61 GLU HA H 1 4.139 . . 1 . . . . 89 GLU HA . 17383 1
293 . 1 1 61 61 GLU CA C 13 58.888 . . 1 . . . . 89 GLU CA . 17383 1
294 . 1 1 61 61 GLU CB C 13 30.041 . . 1 . . . . 89 GLU CB . 17383 1
295 . 1 1 61 61 GLU N N 15 119.297 . . 1 . . . . 89 GLU N . 17383 1
296 . 1 1 62 62 THR H H 1 7.816 . . 1 . . . . 90 THR HN . 17383 1
297 . 1 1 62 62 THR HA H 1 4.326 . . 1 . . . . 90 THR HA . 17383 1
298 . 1 1 62 62 THR HB H 1 4.176 . . 1 . . . . 90 THR HB . 17383 1
299 . 1 1 62 62 THR CA C 13 65.117 . . 1 . . . . 90 THR CA . 17383 1
300 . 1 1 62 62 THR CB C 13 69.298 . . 1 . . . . 90 THR CB . 17383 1
301 . 1 1 62 62 THR N N 15 112.852 . . 1 . . . . 90 THR N . 17383 1
302 . 1 1 63 63 GLU H H 1 7.925 . . 1 . . . . 91 GLU HN . 17383 1
303 . 1 1 63 63 GLU HA H 1 4.101 . . 1 . . . . 91 GLU HA . 17383 1
304 . 1 1 63 63 GLU CA C 13 58.274 . . 1 . . . . 91 GLU CA . 17383 1
305 . 1 1 63 63 GLU CB C 13 29.733 . . 1 . . . . 91 GLU CB . 17383 1
306 . 1 1 63 63 GLU N N 15 121.224 . . 1 . . . . 91 GLU N . 17383 1
307 . 1 1 64 64 LEU H H 1 7.806 . . 1 . . . . 92 LEU HN . 17383 1
308 . 1 1 64 64 LEU HA H 1 4.139 . . 1 . . . . 92 LEU HA . 17383 1
309 . 1 1 64 64 LEU CA C 13 56.862 . . 1 . . . . 92 LEU CA . 17383 1
310 . 1 1 64 64 LEU CB C 13 41.952 . . 1 . . . . 92 LEU CB . 17383 1
311 . 1 1 64 64 LEU N N 15 120.317 . . 1 . . . . 92 LEU N . 17383 1
312 . 1 1 65 65 TYR H H 1 7.782 . . 1 . . . . 93 TYR HN . 17383 1
313 . 1 1 65 65 TYR HA H 1 4.364 . . 1 . . . . 93 TYR HA . 17383 1
314 . 1 1 65 65 TYR CA C 13 59.157 . . 1 . . . . 93 TYR CA . 17383 1
315 . 1 1 65 65 TYR CB C 13 38.141 . . 1 . . . . 93 TYR CB . 17383 1
316 . 1 1 65 65 TYR N N 15 118.117 . . 1 . . . . 93 TYR N . 17383 1
317 . 1 1 66 66 LEU H H 1 7.880 . . 1 . . . . 94 LEU HN . 17383 1
318 . 1 1 66 66 LEU HA H 1 4.176 . . 1 . . . . 94 LEU HA . 17383 1
319 . 1 1 66 66 LEU CA C 13 56.315 . . 1 . . . . 94 LEU CA . 17383 1
320 . 1 1 66 66 LEU CB C 13 42.259 . . 1 . . . . 94 LEU CB . 17383 1
321 . 1 1 66 66 LEU N N 15 120.907 . . 1 . . . . 94 LEU N . 17383 1
322 . 1 1 67 67 ASN H H 1 8.079 . . 1 . . . . 95 ASN HN . 17383 1
323 . 1 1 67 67 ASN HA H 1 4.626 . . 1 . . . . 95 ASN HA . 17383 1
324 . 1 1 67 67 ASN CA C 13 53.874 . . 1 . . . . 95 ASN CA . 17383 1
325 . 1 1 67 67 ASN CB C 13 38.588 . . 1 . . . . 95 ASN CB . 17383 1
326 . 1 1 67 67 ASN N N 15 117.450 . . 1 . . . . 95 ASN N . 17383 1
327 . 1 1 68 68 LEU H H 1 7.946 . . 1 . . . . 96 LEU HN . 17383 1
328 . 1 1 68 68 LEU HA H 1 4.251 . . 1 . . . . 96 LEU HA . 17383 1
329 . 1 1 68 68 LEU CA C 13 55.975 . . 1 . . . . 96 LEU CA . 17383 1
330 . 1 1 68 68 LEU CB C 13 42.263 . . 1 . . . . 96 LEU CB . 17383 1
331 . 1 1 68 68 LEU N N 15 121.130 . . 1 . . . . 96 LEU N . 17383 1
332 . 1 1 69 69 GLU H H 1 8.127 . . 1 . . . . 97 GLU HN . 17383 1
333 . 1 1 69 69 GLU HA H 1 4.176 . . 1 . . . . 97 GLU HA . 17383 1
334 . 1 1 69 69 GLU CA C 13 56.969 . . 1 . . . . 97 GLU CA . 17383 1
335 . 1 1 69 69 GLU CB C 13 29.997 . . 1 . . . . 97 GLU CB . 17383 1
336 . 1 1 69 69 GLU N N 15 119.590 . . 1 . . . . 97 GLU N . 17383 1
337 . 1 1 70 70 ARG H H 1 7.950 . . 1 . . . . 98 ARG HN . 17383 1
338 . 1 1 70 70 ARG HA H 1 4.251 . . 1 . . . . 98 ARG HA . 17383 1
339 . 1 1 70 70 ARG CA C 13 56.022 . . 1 . . . . 98 ARG CA . 17383 1
340 . 1 1 70 70 ARG CB C 13 30.536 . . 1 . . . . 98 ARG CB . 17383 1
341 . 1 1 70 70 ARG N N 15 120.021 . . 1 . . . . 98 ARG N . 17383 1
342 . 1 1 71 71 ILE H H 1 7.976 . . 1 . . . . 99 ILE HN . 17383 1
343 . 1 1 71 71 ILE CA C 13 58.954 . . 1 . . . . 99 ILE CA . 17383 1
344 . 1 1 71 71 ILE CB C 13 38.288 . . 1 . . . . 99 ILE CB . 17383 1
345 . 1 1 71 71 ILE N N 15 122.825 . . 1 . . . . 99 ILE N . 17383 1
346 . 1 1 72 72 PRO HA H 1 4.364 . . 1 . . . . 100 PRO HA . 17383 1
347 . 1 1 72 72 PRO CA C 13 63.604 . . 1 . . . . 100 PRO CA . 17383 1
348 . 1 1 72 72 PRO CB C 13 31.793 . . 1 . . . . 100 PRO CB . 17383 1
349 . 1 1 73 73 TRP H H 1 7.849 . . 1 . . . . 101 TRP HN . 17383 1
350 . 1 1 73 73 TRP HA H 1 4.626 . . 1 . . . . 101 TRP HA . 17383 1
351 . 1 1 73 73 TRP CA C 13 57.052 . . 1 . . . . 101 TRP CA . 17383 1
352 . 1 1 73 73 TRP CB C 13 29.368 . . 1 . . . . 101 TRP CB . 17383 1
353 . 1 1 73 73 TRP N N 15 120.483 . . 1 . . . . 101 TRP N . 17383 1
354 . 1 1 74 74 VAL H H 1 7.690 . . 1 . . . . 102 VAL HN . 17383 1
355 . 1 1 74 74 VAL HA H 1 3.989 . . 1 . . . . 102 VAL HA . 17383 1
356 . 1 1 74 74 VAL HB H 1 1.888 . . 1 . . . . 102 VAL HB . 17383 1
357 . 1 1 74 74 VAL CA C 13 62.197 . . 1 . . . . 102 VAL CA . 17383 1
358 . 1 1 74 74 VAL N N 15 122.073 . . 1 . . . . 102 VAL N . 17383 1
359 . 1 1 75 75 VAL H H 1 8.068 . . 1 . . . . 103 VAL HN . 17383 1
360 . 1 1 75 75 VAL HA H 1 3.951 . . 1 . . . . 103 VAL HA . 17383 1
361 . 1 1 75 75 VAL HB H 1 1.963 . . 1 . . . . 103 VAL HB . 17383 1
362 . 1 1 75 75 VAL CA C 13 62.279 . . 1 . . . . 103 VAL CA . 17383 1
363 . 1 1 75 75 VAL CB C 13 32.627 . . 1 . . . . 103 VAL CB . 17383 1
364 . 1 1 75 75 VAL N N 15 124.564 . . 1 . . . . 103 VAL N . 17383 1
365 . 1 1 76 76 ARG H H 1 8.299 . . 1 . . . . 104 ARG HN . 17383 1
366 . 1 1 76 76 ARG HA H 1 4.326 . . 1 . . . . 104 ARG HA . 17383 1
367 . 1 1 76 76 ARG CA C 13 55.977 . . 1 . . . . 104 ARG CA . 17383 1
368 . 1 1 76 76 ARG CB C 13 30.803 . . 1 . . . . 104 ARG CB . 17383 1
369 . 1 1 76 76 ARG N N 15 126.441 . . 1 . . . . 104 ARG N . 17383 1
370 . 1 1 77 77 LYS H H 1 7.967 . . 1 . . . . 105 LYS HN . 17383 1
371 . 1 1 77 77 LYS CA C 13 57.824 . . 1 . . . . 105 LYS CA . 17383 1
372 . 1 1 77 77 LYS CB C 13 33.685 . . 1 . . . . 105 LYS CB . 17383 1
373 . 1 1 77 77 LYS N N 15 128.702 . . 1 . . . . 105 LYS N . 17383 1
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