data_26055
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26055
_Entry.PDB_ID 2NDC
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 26055
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.025 3.255 26055
2 1 1 . 1 1 2 2 GLY H H 2 8.688 8.688 8.377 0.311 26055
3 1 1 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.168 0.059 26055
4 1 1 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.087 0.719 26055
5 1 1 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.839 -0.084 26055
6 1 1 . 1 1 3 3 LEU H H 3 8.198 8.198 8.245 -0.047 26055
7 1 1 . 1 1 4 4 ARG N N 4 119.462 119.462 117.435 2.027 26055
8 1 1 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.265 -0.240 26055
9 1 1 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.193 0.370 26055
10 1 1 . 1 1 4 4 ARG H H 4 8.153 8.153 8.526 -0.373 26055
11 1 1 . 1 1 5 5 SER N N 5 113.592 113.592 115.361 -1.769 26055
12 1 1 . 1 1 5 5 SER HA H 5 4.237 4.237 4.343 -0.106 26055
13 1 1 . 1 1 5 5 SER CA C 5 61.456 61.456 59.333 2.123 26055
14 1 1 . 1 1 5 5 SER H H 5 7.869 7.869 8.206 -0.337 26055
15 1 1 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.917 0.053 26055
16 1 1 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.803 1.774 26055
17 1 1 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.747 0.153 26055
18 1 1 . 1 1 6 6 LEU H H 6 8.182 8.182 7.247 0.935 26055
19 1 1 . 1 1 7 7 GLY N N 7 108.313 108.313 104.661 3.652 26055
20 1 1 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.888 -1.065 26055
21 1 1 . 1 1 7 7 GLY H H 7 8.556 8.556 7.882 0.674 26055
22 1 1 . 1 1 8 8 ARG N N 8 122.142 122.142 121.764 0.378 26055
23 1 1 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.106 -0.134 26055
24 1 1 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.386 4.250 26055
25 1 1 . 1 1 8 8 ARG H H 8 7.869 7.869 7.451 0.418 26055
26 1 1 . 1 1 9 9 LYS N N 9 121.621 121.621 121.002 0.619 26055
27 1 1 . 1 1 9 9 LYS HA H 9 4.129 4.129 3.805 0.324 26055
28 1 1 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.699 -1.839 26055
29 1 1 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.161 -4.764 26055
30 1 1 . 1 1 9 9 LYS H H 9 8.449 8.449 8.163 0.286 26055
31 1 1 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.976 -0.253 26055
32 1 1 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.730 2.824 26055
33 1 1 . 1 1 10 10 ILE H H 10 8.222 8.222 7.108 1.114 26055
34 1 1 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.072 0.109 26055
35 1 1 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.686 -0.037 26055
36 1 1 . 1 1 11 11 LEU CB C 11 41.883 41.883 42.020 -0.137 26055
37 1 1 . 1 1 11 11 LEU H H 11 8.087 8.087 8.067 0.020 26055
38 1 1 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.221 -0.185 26055
39 1 1 . 1 1 12 12 ARG CA C 12 59.229 59.229 57.090 2.139 26055
40 1 1 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.421 -0.977 26055
41 1 1 . 1 1 12 12 ARG H H 12 8.106 8.106 7.906 0.200 26055
42 1 1 . 1 1 13 13 ALA N N 13 123.522 123.522 122.321 1.201 26055
43 1 1 . 1 1 13 13 ALA HA H 13 4.244 4.244 4.463 -0.219 26055
44 1 1 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.907 1.946 26055
45 1 1 . 1 1 13 13 ALA H H 13 8.052 8.052 7.478 0.574 26055
46 1 1 . 1 1 14 14 TRP N N 14 119.319 119.319 119.889 -0.570 26055
47 1 1 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.282 -0.220 26055
48 1 1 . 1 1 14 14 TRP CA C 14 59.729 59.729 59.508 0.221 26055
49 1 1 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.296 4.699 26055
50 1 1 . 1 1 14 14 TRP H H 14 7.772 7.772 8.985 -1.213 26055
51 1 1 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.144 -0.273 26055
52 1 1 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.125 1.914 26055
53 1 1 . 1 1 15 15 LYS H H 15 8.190 8.190 6.549 1.641 26055
54 1 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.035 -0.013 26055
55 1 1 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.403 1.576 26055
56 1 1 . 1 1 16 16 LYS H H 16 7.653 7.653 7.316 0.337 26055
57 1 1 . 1 1 17 17 TYR HA H 17 4.528 4.528 3.995 0.533 26055
58 1 1 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.891 -2.503 26055
59 1 1 . 1 1 17 17 TYR H H 17 7.947 7.947 8.207 -0.260 26055
60 1 2 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.815 3.464 26055
61 1 2 . 1 1 2 2 GLY H H 2 8.688 8.688 7.701 0.987 26055
62 1 2 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.394 -0.167 26055
63 1 2 . 1 1 3 3 LEU CA C 3 57.806 57.806 56.644 1.162 26055
64 1 2 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.528 0.227 26055
65 1 2 . 1 1 3 3 LEU H H 3 8.198 8.198 8.458 -0.260 26055
66 1 2 . 1 1 4 4 ARG N N 4 119.462 119.462 118.942 0.520 26055
67 1 2 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.233 -0.208 26055
68 1 2 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.126 0.438 26055
69 1 2 . 1 1 4 4 ARG H H 4 8.153 8.153 8.377 -0.224 26055
70 1 2 . 1 1 5 5 SER N N 5 113.592 113.592 116.074 -2.482 26055
71 1 2 . 1 1 5 5 SER HA H 5 4.237 4.237 4.505 -0.268 26055
72 1 2 . 1 1 5 5 SER CA C 5 61.456 61.456 59.737 1.719 26055
73 1 2 . 1 1 5 5 SER H H 5 7.869 7.869 7.770 0.099 26055
74 1 2 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.964 0.006 26055
75 1 2 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.038 1.539 26055
76 1 2 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.385 0.515 26055
77 1 2 . 1 1 6 6 LEU H H 6 8.182 8.182 7.204 0.978 26055
78 1 2 . 1 1 7 7 GLY N N 7 108.313 108.313 105.447 2.866 26055
79 1 2 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.045 -1.222 26055
80 1 2 . 1 1 7 7 GLY H H 7 8.556 8.556 8.605 -0.049 26055
81 1 2 . 1 1 8 8 ARG N N 8 122.142 122.142 120.140 2.002 26055
82 1 2 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.332 -0.360 26055
83 1 2 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.349 5.287 26055
84 1 2 . 1 1 8 8 ARG H H 8 7.869 7.869 8.269 -0.400 26055
85 1 2 . 1 1 9 9 LYS N N 9 121.621 121.621 121.881 -0.260 26055
86 1 2 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.188 -0.059 26055
87 1 2 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.445 -1.585 26055
88 1 2 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.677 -5.280 26055
89 1 2 . 1 1 9 9 LYS H H 9 8.449 8.449 8.040 0.409 26055
90 1 2 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.751 -0.028 26055
91 1 2 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.652 2.902 26055
92 1 2 . 1 1 10 10 ILE H H 10 8.222 8.222 8.588 -0.366 26055
93 1 2 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.961 0.220 26055
94 1 2 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.510 0.139 26055
95 1 2 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.759 0.124 26055
96 1 2 . 1 1 11 11 LEU H H 11 8.087 8.087 7.468 0.619 26055
97 1 2 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.123 -0.087 26055
98 1 2 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.337 2.892 26055
99 1 2 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.125 -0.681 26055
100 1 2 . 1 1 12 12 ARG H H 12 8.106 8.106 7.415 0.691 26055
101 1 2 . 1 1 13 13 ALA N N 13 123.522 123.522 123.210 0.312 26055
102 1 2 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.399 0.845 26055
103 1 2 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.001 2.852 26055
104 1 2 . 1 1 13 13 ALA H H 13 8.052 8.052 7.288 0.764 26055
105 1 2 . 1 1 14 14 TRP N N 14 119.319 119.319 121.023 -1.704 26055
106 1 2 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.365 -0.303 26055
107 1 2 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.263 1.466 26055
108 1 2 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.882 5.113 26055
109 1 2 . 1 1 14 14 TRP H H 14 7.772 7.772 7.147 0.625 26055
110 1 2 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.529 -0.658 26055
111 1 2 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.027 1.012 26055
112 1 2 . 1 1 15 15 LYS H H 15 8.190 8.190 8.152 0.038 26055
113 1 2 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.597 0.425 26055
114 1 2 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.472 1.507 26055
115 1 2 . 1 1 16 16 LYS H H 16 7.653 7.653 7.812 -0.159 26055
116 1 2 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.115 0.413 26055
117 1 2 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.114 -2.725 26055
118 1 2 . 1 1 17 17 TYR H H 17 7.947 7.947 8.231 -0.284 26055
119 1 3 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.991 2.288 26055
120 1 3 . 1 1 2 2 GLY H H 2 8.688 8.688 7.957 0.731 26055
121 1 3 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.170 0.057 26055
122 1 3 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.677 0.129 26055
123 1 3 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.842 -0.087 26055
124 1 3 . 1 1 3 3 LEU H H 3 8.198 8.198 8.219 -0.021 26055
125 1 3 . 1 1 4 4 ARG N N 4 119.462 119.462 118.531 0.931 26055
126 1 3 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.313 -0.288 26055
127 1 3 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.375 0.188 26055
128 1 3 . 1 1 4 4 ARG H H 4 8.153 8.153 8.458 -0.305 26055
129 1 3 . 1 1 5 5 SER N N 5 113.592 113.592 114.970 -1.378 26055
130 1 3 . 1 1 5 5 SER HA H 5 4.237 4.237 4.450 -0.213 26055
131 1 3 . 1 1 5 5 SER CA C 5 61.456 61.456 59.592 1.864 26055
132 1 3 . 1 1 5 5 SER H H 5 7.869 7.869 8.191 -0.322 26055
133 1 3 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.042 -0.072 26055
134 1 3 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.059 1.518 26055
135 1 3 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.530 0.370 26055
136 1 3 . 1 1 6 6 LEU H H 6 8.182 8.182 7.236 0.946 26055
137 1 3 . 1 1 7 7 GLY N N 7 108.313 108.313 105.117 3.196 26055
138 1 3 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.271 -1.448 26055
139 1 3 . 1 1 7 7 GLY H H 7 8.556 8.556 8.716 -0.160 26055
140 1 3 . 1 1 8 8 ARG N N 8 122.142 122.142 120.950 1.192 26055
141 1 3 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.249 -0.277 26055
142 1 3 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.476 5.160 26055
143 1 3 . 1 1 8 8 ARG H H 8 7.869 7.869 8.172 -0.303 26055
144 1 3 . 1 1 9 9 LYS N N 9 121.621 121.621 121.347 0.274 26055
145 1 3 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.118 0.011 26055
146 1 3 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.433 -1.573 26055
147 1 3 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.416 -5.019 26055
148 1 3 . 1 1 9 9 LYS H H 9 8.449 8.449 7.827 0.622 26055
149 1 3 . 1 1 10 10 ILE HA H 10 3.723 3.723 4.124 -0.401 26055
150 1 3 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.186 2.368 26055
151 1 3 . 1 1 10 10 ILE H H 10 8.222 8.222 8.486 -0.264 26055
152 1 3 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.112 0.069 26055
153 1 3 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.192 0.457 26055
154 1 3 . 1 1 11 11 LEU CB C 11 41.883 41.883 42.287 -0.404 26055
155 1 3 . 1 1 11 11 LEU H H 11 8.087 8.087 7.629 0.458 26055
156 1 3 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.186 -0.150 26055
157 1 3 . 1 1 12 12 ARG CA C 12 59.229 59.229 57.097 2.132 26055
158 1 3 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.798 -1.354 26055
159 1 3 . 1 1 12 12 ARG H H 12 8.106 8.106 7.535 0.571 26055
160 1 3 . 1 1 13 13 ALA N N 13 123.522 123.522 121.586 1.936 26055
161 1 3 . 1 1 13 13 ALA HA H 13 4.244 4.244 4.084 0.160 26055
162 1 3 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.674 2.179 26055
163 1 3 . 1 1 13 13 ALA H H 13 8.052 8.052 7.671 0.381 26055
164 1 3 . 1 1 14 14 TRP N N 14 119.319 119.319 120.871 -1.552 26055
165 1 3 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.287 -0.225 26055
166 1 3 . 1 1 14 14 TRP CA C 14 59.729 59.729 59.119 0.610 26055
167 1 3 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.184 4.811 26055
168 1 3 . 1 1 14 14 TRP H H 14 7.772 7.772 9.120 -1.348 26055
169 1 3 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.138 -0.267 26055
170 1 3 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.191 1.848 26055
171 1 3 . 1 1 15 15 LYS H H 15 8.190 8.190 6.718 1.472 26055
172 1 3 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.833 0.189 26055
173 1 3 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.644 1.335 26055
174 1 3 . 1 1 16 16 LYS H H 16 7.653 7.653 7.622 0.031 26055
175 1 3 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.114 0.414 26055
176 1 3 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.176 -2.788 26055
177 1 3 . 1 1 17 17 TYR H H 17 7.947 7.947 7.747 0.200 26055
178 1 4 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.879 3.401 26055
179 1 4 . 1 1 2 2 GLY H H 2 8.688 8.688 7.937 0.751 26055
180 1 4 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.258 -0.031 26055
181 1 4 . 1 1 3 3 LEU CA C 3 57.806 57.806 56.892 0.913 26055
182 1 4 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.118 -0.363 26055
183 1 4 . 1 1 3 3 LEU H H 3 8.198 8.198 8.489 -0.291 26055
184 1 4 . 1 1 4 4 ARG N N 4 119.462 119.462 119.186 0.276 26055
185 1 4 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.275 -0.250 26055
186 1 4 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.490 0.073 26055
187 1 4 . 1 1 4 4 ARG H H 4 8.153 8.153 8.632 -0.479 26055
188 1 4 . 1 1 5 5 SER N N 5 113.592 113.592 115.765 -2.173 26055
189 1 4 . 1 1 5 5 SER HA H 5 4.237 4.237 4.398 -0.161 26055
190 1 4 . 1 1 5 5 SER CA C 5 61.456 61.456 60.074 1.382 26055
191 1 4 . 1 1 5 5 SER H H 5 7.869 7.869 8.217 -0.348 26055
192 1 4 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.053 -0.083 26055
193 1 4 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.312 1.264 26055
194 1 4 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.674 0.226 26055
195 1 4 . 1 1 6 6 LEU H H 6 8.182 8.182 7.578 0.604 26055
196 1 4 . 1 1 7 7 GLY N N 7 108.313 108.313 104.210 4.103 26055
197 1 4 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.069 -1.246 26055
198 1 4 . 1 1 7 7 GLY H H 7 8.556 8.556 8.325 0.231 26055
199 1 4 . 1 1 8 8 ARG N N 8 122.142 122.142 120.204 1.938 26055
200 1 4 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.339 -0.367 26055
201 1 4 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.767 4.869 26055
202 1 4 . 1 1 8 8 ARG H H 8 7.869 7.869 7.837 0.032 26055
203 1 4 . 1 1 9 9 LYS N N 9 121.621 121.621 121.637 -0.016 26055
204 1 4 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.180 -0.051 26055
205 1 4 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.466 -1.606 26055
206 1 4 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.676 -5.279 26055
207 1 4 . 1 1 9 9 LYS H H 9 8.449 8.449 8.038 0.411 26055
208 1 4 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.696 0.027 26055
209 1 4 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.968 2.587 26055
210 1 4 . 1 1 10 10 ILE H H 10 8.222 8.222 8.408 -0.186 26055
211 1 4 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.978 0.203 26055
212 1 4 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.438 0.211 26055
213 1 4 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.706 0.177 26055
214 1 4 . 1 1 11 11 LEU H H 11 8.087 8.087 7.578 0.509 26055
215 1 4 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.140 -0.104 26055
216 1 4 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.114 3.115 26055
217 1 4 . 1 1 12 12 ARG CB C 12 29.444 29.444 29.687 -0.243 26055
218 1 4 . 1 1 12 12 ARG H H 12 8.106 8.106 7.435 0.671 26055
219 1 4 . 1 1 13 13 ALA N N 13 123.522 123.522 122.694 0.828 26055
220 1 4 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.538 0.706 26055
221 1 4 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.172 2.681 26055
222 1 4 . 1 1 13 13 ALA H H 13 8.052 8.052 7.256 0.796 26055
223 1 4 . 1 1 14 14 TRP N N 14 119.319 119.319 122.364 -3.045 26055
224 1 4 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.343 -0.281 26055
225 1 4 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.472 1.256 26055
226 1 4 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.715 5.280 26055
227 1 4 . 1 1 14 14 TRP H H 14 7.772 7.772 7.333 0.439 26055
228 1 4 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.512 -0.641 26055
229 1 4 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.884 1.155 26055
230 1 4 . 1 1 15 15 LYS H H 15 8.190 8.190 8.226 -0.036 26055
231 1 4 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.687 0.335 26055
232 1 4 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.351 1.628 26055
233 1 4 . 1 1 16 16 LYS H H 16 7.653 7.653 7.833 -0.180 26055
234 1 4 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.486 0.042 26055
235 1 4 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.425 -1.037 26055
236 1 4 . 1 1 17 17 TYR H H 17 7.947 7.947 8.098 -0.151 26055
237 1 5 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.992 2.287 26055
238 1 5 . 1 1 2 2 GLY H H 2 8.688 8.688 8.124 0.563 26055
239 1 5 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.036 0.191 26055
240 1 5 . 1 1 3 3 LEU CA C 3 57.806 57.806 58.251 -0.445 26055
241 1 5 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.638 0.117 26055
242 1 5 . 1 1 3 3 LEU H H 3 8.198 8.198 8.068 0.130 26055
243 1 5 . 1 1 4 4 ARG N N 4 119.462 119.462 116.997 2.465 26055
244 1 5 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.300 -0.275 26055
245 1 5 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.297 0.266 26055
246 1 5 . 1 1 4 4 ARG H H 4 8.153 8.153 8.498 -0.345 26055
247 1 5 . 1 1 5 5 SER N N 5 113.592 113.592 117.015 -3.423 26055
248 1 5 . 1 1 5 5 SER HA H 5 4.237 4.237 4.387 -0.150 26055
249 1 5 . 1 1 5 5 SER CA C 5 61.456 61.456 60.089 1.367 26055
250 1 5 . 1 1 5 5 SER H H 5 7.869 7.869 8.056 -0.187 26055
251 1 5 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.034 -0.064 26055
252 1 5 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.174 1.403 26055
253 1 5 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.771 0.129 26055
254 1 5 . 1 1 6 6 LEU H H 6 8.182 8.182 7.917 0.265 26055
255 1 5 . 1 1 7 7 GLY N N 7 108.313 108.313 104.364 3.949 26055
256 1 5 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.821 -0.998 26055
257 1 5 . 1 1 7 7 GLY H H 7 8.556 8.556 8.293 0.263 26055
258 1 5 . 1 1 8 8 ARG N N 8 122.142 122.142 119.560 2.582 26055
259 1 5 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.399 -0.427 26055
260 1 5 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.034 5.602 26055
261 1 5 . 1 1 8 8 ARG H H 8 7.869 7.869 7.831 0.038 26055
262 1 5 . 1 1 9 9 LYS N N 9 121.621 121.621 122.786 -1.165 26055
263 1 5 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.176 -0.047 26055
264 1 5 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.450 -1.589 26055
265 1 5 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.574 -5.177 26055
266 1 5 . 1 1 9 9 LYS H H 9 8.449 8.449 8.207 0.242 26055
267 1 5 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.609 0.114 26055
268 1 5 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.081 3.473 26055
269 1 5 . 1 1 10 10 ILE H H 10 8.222 8.222 7.784 0.438 26055
270 1 5 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.013 0.168 26055
271 1 5 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.657 -0.008 26055
272 1 5 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.303 0.579 26055
273 1 5 . 1 1 11 11 LEU H H 11 8.087 8.087 7.593 0.494 26055
274 1 5 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.101 -0.065 26055
275 1 5 . 1 1 12 12 ARG CA C 12 59.229 59.229 55.984 3.245 26055
276 1 5 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.085 -0.641 26055
277 1 5 . 1 1 12 12 ARG H H 12 8.106 8.106 7.581 0.525 26055
278 1 5 . 1 1 13 13 ALA N N 13 123.522 123.522 122.730 0.792 26055
279 1 5 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.411 0.833 26055
280 1 5 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.950 2.904 26055
281 1 5 . 1 1 13 13 ALA H H 13 8.052 8.052 6.991 1.061 26055
282 1 5 . 1 1 14 14 TRP N N 14 119.319 119.319 120.238 -0.919 26055
283 1 5 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.327 -0.265 26055
284 1 5 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.244 1.485 26055
285 1 5 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.726 5.269 26055
286 1 5 . 1 1 14 14 TRP H H 14 7.772 7.772 7.300 0.472 26055
287 1 5 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.481 -0.610 26055
288 1 5 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.869 1.170 26055
289 1 5 . 1 1 15 15 LYS H H 15 8.190 8.190 8.149 0.041 26055
290 1 5 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.912 0.110 26055
291 1 5 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.468 1.511 26055
292 1 5 . 1 1 16 16 LYS H H 16 7.653 7.653 8.023 -0.370 26055
293 1 5 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.443 0.085 26055
294 1 5 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.272 -0.884 26055
295 1 5 . 1 1 17 17 TYR H H 17 7.947 7.947 8.077 -0.130 26055
296 1 6 . 1 1 2 2 GLY CA C 2 48.279 48.279 43.880 4.399 26055
297 1 6 . 1 1 2 2 GLY H H 2 8.688 8.688 8.562 0.126 26055
298 1 6 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.085 0.142 26055
299 1 6 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.649 0.157 26055
300 1 6 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.834 -0.079 26055
301 1 6 . 1 1 3 3 LEU H H 3 8.198 8.198 8.371 -0.173 26055
302 1 6 . 1 1 4 4 ARG N N 4 119.462 119.462 118.866 0.596 26055
303 1 6 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.288 -0.263 26055
304 1 6 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.477 0.086 26055
305 1 6 . 1 1 4 4 ARG H H 4 8.153 8.153 8.580 -0.427 26055
306 1 6 . 1 1 5 5 SER N N 5 113.592 113.592 116.145 -2.553 26055
307 1 6 . 1 1 5 5 SER HA H 5 4.237 4.237 4.409 -0.172 26055
308 1 6 . 1 1 5 5 SER CA C 5 61.456 61.456 60.102 1.354 26055
309 1 6 . 1 1 5 5 SER H H 5 7.869 7.869 8.181 -0.312 26055
310 1 6 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.007 -0.037 26055
311 1 6 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.791 1.786 26055
312 1 6 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.806 0.094 26055
313 1 6 . 1 1 6 6 LEU H H 6 8.182 8.182 7.426 0.756 26055
314 1 6 . 1 1 7 7 GLY N N 7 108.313 108.313 105.671 2.642 26055
315 1 6 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.953 -1.129 26055
316 1 6 . 1 1 7 7 GLY H H 7 8.556 8.556 7.944 0.612 26055
317 1 6 . 1 1 8 8 ARG N N 8 122.142 122.142 120.813 1.329 26055
318 1 6 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.380 -0.408 26055
319 1 6 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.045 5.591 26055
320 1 6 . 1 1 8 8 ARG H H 8 7.869 7.869 7.762 0.107 26055
321 1 6 . 1 1 9 9 LYS N N 9 121.621 121.621 120.896 0.725 26055
322 1 6 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.154 -0.025 26055
323 1 6 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.399 -1.539 26055
324 1 6 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.419 -5.022 26055
325 1 6 . 1 1 9 9 LYS H H 9 8.449 8.449 8.133 0.316 26055
326 1 6 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.797 -0.074 26055
327 1 6 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.138 2.416 26055
328 1 6 . 1 1 10 10 ILE H H 10 8.222 8.222 7.772 0.450 26055
329 1 6 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.977 0.204 26055
330 1 6 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.014 0.635 26055
331 1 6 . 1 1 11 11 LEU CB C 11 41.883 41.883 40.576 1.307 26055
332 1 6 . 1 1 11 11 LEU H H 11 8.087 8.087 7.742 0.345 26055
333 1 6 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.119 -0.083 26055
334 1 6 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.358 2.871 26055
335 1 6 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.369 -0.925 26055
336 1 6 . 1 1 12 12 ARG H H 12 8.106 8.106 7.469 0.637 26055
337 1 6 . 1 1 13 13 ALA N N 13 123.522 123.522 123.414 0.108 26055
338 1 6 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.439 0.805 26055
339 1 6 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.952 2.901 26055
340 1 6 . 1 1 13 13 ALA H H 13 8.052 8.052 7.266 0.786 26055
341 1 6 . 1 1 14 14 TRP N N 14 119.319 119.319 122.802 -3.483 26055
342 1 6 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.348 -0.286 26055
343 1 6 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.809 0.920 26055
344 1 6 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.666 5.329 26055
345 1 6 . 1 1 14 14 TRP H H 14 7.772 7.772 7.261 0.511 26055
346 1 6 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.405 -0.534 26055
347 1 6 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.129 0.910 26055
348 1 6 . 1 1 15 15 LYS H H 15 8.190 8.190 8.194 -0.004 26055
349 1 6 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.728 0.294 26055
350 1 6 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.761 1.218 26055
351 1 6 . 1 1 16 16 LYS H H 16 7.653 7.653 8.026 -0.373 26055
352 1 6 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.207 0.321 26055
353 1 6 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.275 -2.887 26055
354 1 6 . 1 1 17 17 TYR H H 17 7.947 7.947 8.401 -0.454 26055
355 1 7 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.481 2.798 26055
356 1 7 . 1 1 2 2 GLY H H 2 8.688 8.688 7.698 0.990 26055
357 1 7 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.207 0.020 26055
358 1 7 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.482 0.324 26055
359 1 7 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.886 -0.131 26055
360 1 7 . 1 1 3 3 LEU H H 3 8.198 8.198 8.231 -0.033 26055
361 1 7 . 1 1 4 4 ARG N N 4 119.462 119.462 118.605 0.857 26055
362 1 7 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.336 -0.311 26055
363 1 7 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.370 0.193 26055
364 1 7 . 1 1 4 4 ARG H H 4 8.153 8.153 8.527 -0.374 26055
365 1 7 . 1 1 5 5 SER N N 5 113.592 113.592 115.716 -2.124 26055
366 1 7 . 1 1 5 5 SER HA H 5 4.237 4.237 4.455 -0.218 26055
367 1 7 . 1 1 5 5 SER CA C 5 61.456 61.456 59.708 1.748 26055
368 1 7 . 1 1 5 5 SER H H 5 7.869 7.869 8.225 -0.356 26055
369 1 7 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.028 -0.058 26055
370 1 7 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.788 1.789 26055
371 1 7 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.855 0.045 26055
372 1 7 . 1 1 6 6 LEU H H 6 8.182 8.182 7.243 0.939 26055
373 1 7 . 1 1 7 7 GLY N N 7 108.313 108.313 104.281 4.032 26055
374 1 7 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.687 -0.864 26055
375 1 7 . 1 1 7 7 GLY H H 7 8.556 8.556 8.452 0.104 26055
376 1 7 . 1 1 8 8 ARG N N 8 122.142 122.142 122.339 -0.197 26055
377 1 7 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.210 -0.238 26055
378 1 7 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.022 4.614 26055
379 1 7 . 1 1 8 8 ARG H H 8 7.869 7.869 7.913 -0.044 26055
380 1 7 . 1 1 9 9 LYS N N 9 121.621 121.621 120.735 0.886 26055
381 1 7 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.179 -0.050 26055
382 1 7 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.216 -1.356 26055
383 1 7 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.427 -5.030 26055
384 1 7 . 1 1 9 9 LYS H H 9 8.449 8.449 8.250 0.199 26055
385 1 7 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.874 -0.151 26055
386 1 7 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.612 2.942 26055
387 1 7 . 1 1 10 10 ILE H H 10 8.222 8.222 7.480 0.742 26055
388 1 7 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.980 0.201 26055
389 1 7 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.274 0.375 26055
390 1 7 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.191 0.692 26055
391 1 7 . 1 1 11 11 LEU H H 11 8.087 8.087 7.559 0.528 26055
392 1 7 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.116 -0.080 26055
393 1 7 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.212 3.017 26055
394 1 7 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.128 -0.684 26055
395 1 7 . 1 1 12 12 ARG H H 12 8.106 8.106 7.472 0.634 26055
396 1 7 . 1 1 13 13 ALA N N 13 123.522 123.522 123.201 0.321 26055
397 1 7 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.468 0.776 26055
398 1 7 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.995 2.858 26055
399 1 7 . 1 1 13 13 ALA H H 13 8.052 8.052 7.298 0.754 26055
400 1 7 . 1 1 14 14 TRP N N 14 119.319 119.319 121.396 -2.077 26055
401 1 7 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.340 -0.278 26055
402 1 7 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.661 1.068 26055
403 1 7 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.771 5.223 26055
404 1 7 . 1 1 14 14 TRP H H 14 7.772 7.772 7.268 0.504 26055
405 1 7 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.389 -0.518 26055
406 1 7 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.424 0.615 26055
407 1 7 . 1 1 15 15 LYS H H 15 8.190 8.190 8.031 0.159 26055
408 1 7 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.844 0.178 26055
409 1 7 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.293 1.686 26055
410 1 7 . 1 1 16 16 LYS H H 16 7.653 7.653 8.033 -0.380 26055
411 1 7 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.304 0.224 26055
412 1 7 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.393 -1.005 26055
413 1 7 . 1 1 17 17 TYR H H 17 7.947 7.947 8.308 -0.361 26055
414 1 8 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.584 2.695 26055
415 1 8 . 1 1 2 2 GLY H H 2 8.688 8.688 7.928 0.760 26055
416 1 8 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.138 0.089 26055
417 1 8 . 1 1 3 3 LEU CA C 3 57.806 57.806 58.016 -0.209 26055
418 1 8 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.062 -0.307 26055
419 1 8 . 1 1 3 3 LEU H H 3 8.198 8.198 8.243 -0.045 26055
420 1 8 . 1 1 4 4 ARG N N 4 119.462 119.462 119.072 0.390 26055
421 1 8 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.184 -0.159 26055
422 1 8 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.968 -0.405 26055
423 1 8 . 1 1 4 4 ARG H H 4 8.153 8.153 8.439 -0.286 26055
424 1 8 . 1 1 5 5 SER N N 5 113.592 113.592 114.343 -0.751 26055
425 1 8 . 1 1 5 5 SER HA H 5 4.237 4.237 4.375 -0.138 26055
426 1 8 . 1 1 5 5 SER CA C 5 61.456 61.456 60.478 0.978 26055
427 1 8 . 1 1 5 5 SER H H 5 7.869 7.869 8.235 -0.366 26055
428 1 8 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.941 0.029 26055
429 1 8 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.923 1.653 26055
430 1 8 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.433 0.467 26055
431 1 8 . 1 1 6 6 LEU H H 6 8.182 8.182 7.348 0.834 26055
432 1 8 . 1 1 7 7 GLY N N 7 108.313 108.313 104.383 3.930 26055
433 1 8 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.559 -0.736 26055
434 1 8 . 1 1 7 7 GLY H H 7 8.556 8.556 8.556 -0.000 26055
435 1 8 . 1 1 8 8 ARG N N 8 122.142 122.142 119.746 2.396 26055
436 1 8 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.368 -0.396 26055
437 1 8 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.305 5.331 26055
438 1 8 . 1 1 8 8 ARG H H 8 7.869 7.869 7.759 0.110 26055
439 1 8 . 1 1 9 9 LYS N N 9 121.621 121.621 122.560 -0.939 26055
440 1 8 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.150 -0.021 26055
441 1 8 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.435 -1.575 26055
442 1 8 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.437 -5.040 26055
443 1 8 . 1 1 9 9 LYS H H 9 8.449 8.449 8.383 0.066 26055
444 1 8 . 1 1 10 10 ILE HA H 10 3.723 3.723 4.122 -0.399 26055
445 1 8 . 1 1 10 10 ILE CA C 10 65.554 65.554 61.928 3.626 26055
446 1 8 . 1 1 10 10 ILE H H 10 8.222 8.222 7.673 0.549 26055
447 1 8 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.085 0.096 26055
448 1 8 . 1 1 11 11 LEU CA C 11 57.649 57.649 56.854 0.795 26055
449 1 8 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.241 0.642 26055
450 1 8 . 1 1 11 11 LEU H H 11 8.087 8.087 7.791 0.296 26055
451 1 8 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.254 -0.218 26055
452 1 8 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.221 3.008 26055
453 1 8 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.295 -0.851 26055
454 1 8 . 1 1 12 12 ARG H H 12 8.106 8.106 7.432 0.674 26055
455 1 8 . 1 1 13 13 ALA N N 13 123.522 123.522 123.591 -0.069 26055
456 1 8 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.129 1.115 26055
457 1 8 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.953 2.900 26055
458 1 8 . 1 1 13 13 ALA H H 13 8.052 8.052 7.859 0.193 26055
459 1 8 . 1 1 14 14 TRP N N 14 119.319 119.319 122.364 -3.045 26055
460 1 8 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.291 -0.229 26055
461 1 8 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.014 1.715 26055
462 1 8 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.791 5.204 26055
463 1 8 . 1 1 14 14 TRP H H 14 7.772 7.772 6.763 1.009 26055
464 1 8 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.320 -0.449 26055
465 1 8 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.252 0.787 26055
466 1 8 . 1 1 15 15 LYS H H 15 8.190 8.190 8.179 0.011 26055
467 1 8 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.570 0.452 26055
468 1 8 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.519 1.460 26055
469 1 8 . 1 1 16 16 LYS H H 16 7.653 7.653 7.689 -0.036 26055
470 1 8 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.321 0.207 26055
471 1 8 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.253 -0.865 26055
472 1 8 . 1 1 17 17 TYR H H 17 7.947 7.947 7.788 0.159 26055
473 1 9 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.799 3.480 26055
474 1 9 . 1 1 2 2 GLY H H 2 8.688 8.688 8.244 0.444 26055
475 1 9 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.253 -0.026 26055
476 1 9 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.243 0.563 26055
477 1 9 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.557 0.198 26055
478 1 9 . 1 1 3 3 LEU H H 3 8.198 8.198 8.566 -0.368 26055
479 1 9 . 1 1 4 4 ARG N N 4 119.462 119.462 118.510 0.952 26055
480 1 9 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.200 -0.175 26055
481 1 9 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.187 0.376 26055
482 1 9 . 1 1 4 4 ARG H H 4 8.153 8.153 8.539 -0.386 26055
483 1 9 . 1 1 5 5 SER N N 5 113.592 113.592 115.957 -2.365 26055
484 1 9 . 1 1 5 5 SER HA H 5 4.237 4.237 4.535 -0.298 26055
485 1 9 . 1 1 5 5 SER CA C 5 61.456 61.456 59.661 1.794 26055
486 1 9 . 1 1 5 5 SER H H 5 7.869 7.869 7.617 0.252 26055
487 1 9 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.030 -0.060 26055
488 1 9 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.671 0.906 26055
489 1 9 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.261 0.639 26055
490 1 9 . 1 1 6 6 LEU H H 6 8.182 8.182 7.463 0.719 26055
491 1 9 . 1 1 7 7 GLY N N 7 108.313 108.313 104.925 3.388 26055
492 1 9 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.116 -1.293 26055
493 1 9 . 1 1 7 7 GLY H H 7 8.556 8.556 8.654 -0.098 26055
494 1 9 . 1 1 8 8 ARG N N 8 122.142 122.142 121.841 0.301 26055
495 1 9 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.103 -0.131 26055
496 1 9 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.248 4.388 26055
497 1 9 . 1 1 8 8 ARG H H 8 7.869 7.869 7.783 0.086 26055
498 1 9 . 1 1 9 9 LYS N N 9 121.621 121.621 120.071 1.550 26055
499 1 9 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.177 -0.048 26055
500 1 9 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.481 -1.621 26055
501 1 9 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.487 -5.090 26055
502 1 9 . 1 1 9 9 LYS H H 9 8.449 8.449 8.141 0.308 26055
503 1 9 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.628 0.095 26055
504 1 9 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.292 2.262 26055
505 1 9 . 1 1 10 10 ILE H H 10 8.222 8.222 8.189 0.033 26055
506 1 9 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.932 0.249 26055
507 1 9 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.527 0.122 26055
508 1 9 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.554 0.329 26055
509 1 9 . 1 1 11 11 LEU H H 11 8.087 8.087 7.341 0.746 26055
510 1 9 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.098 -0.062 26055
511 1 9 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.250 2.979 26055
512 1 9 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.036 -0.592 26055
513 1 9 . 1 1 12 12 ARG H H 12 8.106 8.106 7.452 0.654 26055
514 1 9 . 1 1 13 13 ALA N N 13 123.522 123.522 122.667 0.855 26055
515 1 9 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.449 0.795 26055
516 1 9 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.009 2.844 26055
517 1 9 . 1 1 13 13 ALA H H 13 8.052 8.052 7.194 0.858 26055
518 1 9 . 1 1 14 14 TRP N N 14 119.319 119.319 120.329 -1.010 26055
519 1 9 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.373 -0.311 26055
520 1 9 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.188 1.541 26055
521 1 9 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.852 5.143 26055
522 1 9 . 1 1 14 14 TRP H H 14 7.772 7.772 7.229 0.543 26055
523 1 9 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.505 -0.634 26055
524 1 9 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.270 0.769 26055
525 1 9 . 1 1 15 15 LYS H H 15 8.190 8.190 7.988 0.202 26055
526 1 9 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.590 0.432 26055
527 1 9 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.448 1.531 26055
528 1 9 . 1 1 16 16 LYS H H 16 7.653 7.653 7.872 -0.219 26055
529 1 9 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.038 0.490 26055
530 1 9 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.939 -2.551 26055
531 1 9 . 1 1 17 17 TYR H H 17 7.947 7.947 8.100 -0.153 26055
532 1 10 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.849 3.430 26055
533 1 10 . 1 1 2 2 GLY H H 2 8.688 8.688 7.839 0.849 26055
534 1 10 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.199 0.028 26055
535 1 10 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.516 0.290 26055
536 1 10 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.080 -0.325 26055
537 1 10 . 1 1 3 3 LEU H H 3 8.198 8.198 8.584 -0.386 26055
538 1 10 . 1 1 4 4 ARG N N 4 119.462 119.462 119.023 0.439 26055
539 1 10 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.316 -0.291 26055
540 1 10 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.531 0.032 26055
541 1 10 . 1 1 4 4 ARG H H 4 8.153 8.153 8.615 -0.462 26055
542 1 10 . 1 1 5 5 SER N N 5 113.592 113.592 115.936 -2.344 26055
543 1 10 . 1 1 5 5 SER HA H 5 4.237 4.237 4.349 -0.112 26055
544 1 10 . 1 1 5 5 SER CA C 5 61.456 61.456 59.831 1.625 26055
545 1 10 . 1 1 5 5 SER H H 5 7.869 7.869 8.294 -0.425 26055
546 1 10 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.089 -0.119 26055
547 1 10 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.887 1.690 26055
548 1 10 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.526 0.374 26055
549 1 10 . 1 1 6 6 LEU H H 6 8.182 8.182 7.348 0.834 26055
550 1 10 . 1 1 7 7 GLY N N 7 108.313 108.313 104.707 3.606 26055
551 1 10 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.974 -1.151 26055
552 1 10 . 1 1 7 7 GLY H H 7 8.556 8.556 8.114 0.442 26055
553 1 10 . 1 1 8 8 ARG N N 8 122.142 122.142 119.954 2.188 26055
554 1 10 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.354 -0.382 26055
555 1 10 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.598 5.038 26055
556 1 10 . 1 1 8 8 ARG H H 8 7.869 7.869 8.205 -0.336 26055
557 1 10 . 1 1 9 9 LYS N N 9 121.621 121.621 121.780 -0.159 26055
558 1 10 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.198 -0.069 26055
559 1 10 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.571 -1.711 26055
560 1 10 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.667 -5.270 26055
561 1 10 . 1 1 9 9 LYS H H 9 8.449 8.449 7.839 0.610 26055
562 1 10 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.519 0.204 26055
563 1 10 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.714 1.840 26055
564 1 10 . 1 1 10 10 ILE H H 10 8.222 8.222 8.445 -0.223 26055
565 1 10 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.976 0.205 26055
566 1 10 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.778 -0.129 26055
567 1 10 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.209 0.673 26055
568 1 10 . 1 1 11 11 LEU H H 11 8.087 8.087 7.649 0.438 26055
569 1 10 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.120 -0.084 26055
570 1 10 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.166 3.063 26055
571 1 10 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.131 -0.687 26055
572 1 10 . 1 1 12 12 ARG H H 12 8.106 8.106 7.613 0.493 26055
573 1 10 . 1 1 13 13 ALA N N 13 123.522 123.522 122.177 1.345 26055
574 1 10 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.561 0.683 26055
575 1 10 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.268 2.585 26055
576 1 10 . 1 1 13 13 ALA H H 13 8.052 8.052 7.191 0.861 26055
577 1 10 . 1 1 14 14 TRP N N 14 119.319 119.319 123.755 -4.436 26055
578 1 10 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.434 -0.372 26055
579 1 10 . 1 1 14 14 TRP CA C 14 59.729 59.729 57.694 2.035 26055
580 1 10 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.160 4.835 26055
581 1 10 . 1 1 14 14 TRP H H 14 7.772 7.772 7.424 0.348 26055
582 1 10 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.505 -0.634 26055
583 1 10 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.494 1.545 26055
584 1 10 . 1 1 15 15 LYS H H 15 8.190 8.190 8.469 -0.279 26055
585 1 10 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.659 0.363 26055
586 1 10 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.159 1.820 26055
587 1 10 . 1 1 16 16 LYS H H 16 7.653 7.653 8.163 -0.510 26055
588 1 10 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.432 0.096 26055
589 1 10 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.186 -0.798 26055
590 1 10 . 1 1 17 17 TYR H H 17 7.947 7.947 8.347 -0.400 26055
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 7 1.807 -0.791 1.755 26055
2 1 1 "Average Difference" HA 16 0.276 0.034 0.283 26055
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26055
4 1 1 "Average Difference" CA 16 2.096 -1.104 1.840 26055
5 1 1 "Average Difference" CB 6 2.762 0.185 3.019 26055
6 1 1 "Average Difference" HN 16 0.702 -0.268 0.671 26055
7 1 2 "Average Difference" N 7 1.762 -0.179 1.893 26055
8 1 2 "Average Difference" HA 16 0.375 -0.010 0.387 26055
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26055
10 1 2 "Average Difference" CA 16 2.354 -1.303 2.024 26055
11 1 2 "Average Difference" CB 6 3.023 -0.003 3.311 26055
12 1 2 "Average Difference" HN 16 0.528 -0.217 0.497 26055
13 1 3 "Average Difference" N 7 1.717 -0.657 1.713 26055
14 1 3 "Average Difference" HA 16 0.277 0.055 0.281 26055
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26055
16 1 3 "Average Difference" CA 16 2.102 -1.017 1.901 26055
17 1 3 "Average Difference" CB 6 2.900 0.280 3.162 26055
18 1 3 "Average Difference" HN 16 0.657 -0.168 0.656 26055
19 1 4 "Average Difference" N 7 2.247 -0.273 2.409 26055
20 1 4 "Average Difference" HA 16 0.327 0.029 0.337 26055
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26055
22 1 4 "Average Difference" CA 16 2.151 -1.290 1.777 26055
23 1 4 "Average Difference" CB 6 3.056 0.034 3.347 26055
24 1 4 "Average Difference" HN 16 0.448 -0.173 0.427 26055
25 1 5 "Average Difference" N 7 2.475 -0.612 2.591 26055
26 1 5 "Average Difference" HA 16 0.332 -0.014 0.343 26055
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26055
28 1 5 "Average Difference" CA 16 2.263 -1.299 1.913 26055
29 1 5 "Average Difference" CB 6 3.037 -0.046 3.326 26055
30 1 5 "Average Difference" HN 16 0.426 -0.219 0.378 26055
31 1 6 "Average Difference" N 7 2.010 0.091 2.169 26055
32 1 6 "Average Difference" HA 16 0.389 0.015 0.401 26055
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26055
34 1 6 "Average Difference" CA 16 2.420 -1.230 2.152 26055
35 1 6 "Average Difference" CB 6 3.061 -0.117 3.350 26055
36 1 6 "Average Difference" HN 16 0.457 -0.181 0.433 26055
37 1 7 "Average Difference" N 7 1.955 -0.243 2.095 26055
38 1 7 "Average Difference" HA 16 0.349 0.038 0.358 26055
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26055
40 1 7 "Average Difference" CA 16 2.085 -1.300 1.683 26055
41 1 7 "Average Difference" CB 6 2.987 -0.019 3.272 26055
42 1 7 "Average Difference" HN 16 0.532 -0.250 0.485 26055
43 1 8 "Average Difference" N 7 2.140 -0.273 2.293 26055
44 1 8 "Average Difference" HA 16 0.390 -0.034 0.401 26055
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26055
46 1 8 "Average Difference" CA 16 2.240 -1.322 1.867 26055
47 1 8 "Average Difference" CB 6 2.998 -0.019 3.284 26055
48 1 8 "Average Difference" HN 16 0.463 -0.246 0.406 26055
49 1 9 "Average Difference" N 7 1.782 -0.524 1.839 26055
50 1 9 "Average Difference" HA 16 0.366 -0.052 0.375 26055
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26055
52 1 9 "Average Difference" CA 16 2.152 -1.131 1.891 26055
53 1 9 "Average Difference" CB 6 2.980 -0.105 3.262 26055
54 1 9 "Average Difference" HN 16 0.454 -0.226 0.407 26055
55 1 10 "Average Difference" N 7 2.535 -0.091 2.737 26055
56 1 10 "Average Difference" HA 16 0.333 0.002 0.344 26055
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26055
58 1 10 "Average Difference" CA 16 2.193 -1.325 1.804 26055
59 1 10 "Average Difference" CB 6 2.953 0.067 3.234 26055
60 1 10 "Average Difference" HN 16 0.529 -0.116 0.534 26055
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 26055
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.129 3.150 26055
2 1 . 1 1 2 2 GLY H H 2 8.688 8.688 8.037 0.651 26055
3 1 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.191 0.036 26055
4 1 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.446 0.360 26055
5 1 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.838 -0.083 26055
6 1 . 1 1 3 3 LEU H H 3 8.198 8.198 8.347 -0.149 26055
7 1 . 1 1 4 4 ARG N N 4 119.462 119.462 118.517 0.945 26055
8 1 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.271 -0.246 26055
9 1 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.401 0.162 26055
10 1 . 1 1 4 4 ARG H H 4 8.153 8.153 8.519 -0.366 26055
11 1 . 1 1 5 5 SER N N 5 113.592 113.592 115.728 -2.136 26055
12 1 . 1 1 5 5 SER HA H 5 4.237 4.237 4.421 -0.184 26055
13 1 . 1 1 5 5 SER CA C 5 61.456 61.456 59.861 1.595 26055
14 1 . 1 1 5 5 SER H H 5 7.869 7.869 8.099 -0.230 26055
15 1 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.010 -0.041 26055
16 1 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.045 1.532 26055
17 1 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.599 0.301 26055
18 1 . 1 1 6 6 LEU H H 6 8.182 8.182 7.401 0.781 26055
19 1 . 1 1 7 7 GLY N N 7 108.313 108.313 104.777 3.536 26055
20 1 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.938 -1.115 26055
21 1 . 1 1 7 7 GLY H H 7 8.556 8.556 8.354 0.202 26055
22 1 . 1 1 8 8 ARG N N 8 122.142 122.142 120.731 1.411 26055
23 1 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.284 -0.312 26055
24 1 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.623 5.013 26055
25 1 . 1 1 8 8 ARG H H 8 7.869 7.869 7.898 -0.029 26055
26 1 . 1 1 9 9 LYS N N 9 121.621 121.621 121.469 0.151 26055
27 1 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.132 -0.003 26055
28 1 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.460 -1.599 26055
29 1 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.494 -5.097 26055
30 1 . 1 1 9 9 LYS H H 9 8.449 8.449 8.102 0.347 26055
31 1 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.810 -0.087 26055
32 1 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.830 2.724 26055
33 1 . 1 1 10 10 ILE H H 10 8.222 8.222 7.993 0.229 26055
34 1 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.009 0.172 26055
35 1 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.393 0.256 26055
36 1 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.485 0.398 26055
37 1 . 1 1 11 11 LEU H H 11 8.087 8.087 7.642 0.445 26055
38 1 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.148 -0.112 26055
39 1 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.383 2.846 26055
40 1 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.208 -0.763 26055
41 1 . 1 1 12 12 ARG H H 12 8.106 8.106 7.531 0.575 26055
42 1 . 1 1 13 13 ALA N N 13 123.522 123.522 122.759 0.763 26055
43 1 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.594 0.650 26055
44 1 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.188 2.665 26055
45 1 . 1 1 13 13 ALA H H 13 8.052 8.052 7.349 0.703 26055
46 1 . 1 1 14 14 TRP N N 14 119.319 119.319 121.503 -2.184 26055
47 1 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.339 -0.277 26055
48 1 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.497 1.232 26055
49 1 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.904 5.091 26055
50 1 . 1 1 14 14 TRP H H 14 7.772 7.772 7.583 0.189 26055
51 1 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.393 -0.522 26055
52 1 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.866 1.173 26055
53 1 . 1 1 15 15 LYS H H 15 8.190 8.190 7.865 0.324 26055
54 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.746 0.277 26055
55 1 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.452 1.527 26055
56 1 . 1 1 16 16 LYS H H 16 7.653 7.653 7.839 -0.186 26055
57 1 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.245 0.283 26055
58 1 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.192 -1.804 26055
59 1 . 1 1 17 17 TYR H H 17 7.947 7.947 8.130 -0.183 26055
stop_
save_