data_18009
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18009
_Entry.PDB_ID 2LKQ
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 18009
_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 ARG HA H 2 4.263 4.263 4.477 -0.214 18009
2 1 1 . 1 1 2 2 ARG H H 2 8.714 8.714 8.666 0.048 18009
3 1 1 . 1 1 3 3 SER HA H 3 4.320 4.320 4.546 -0.226 18009
4 1 1 . 1 1 3 3 SER H H 3 8.369 8.369 8.437 -0.067 18009
5 1 1 . 1 1 4 4 SER HA H 4 4.317 4.317 4.459 -0.142 18009
6 1 1 . 1 1 4 4 SER H H 4 8.318 8.318 7.960 0.358 18009
7 1 1 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.361 -0.201 18009
8 1 1 . 1 1 5 5 LEU H H 5 8.125 8.125 7.378 0.747 18009
9 1 1 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.345 -0.238 18009
10 1 1 . 1 1 6 6 ARG H H 6 8.154 8.154 7.800 0.354 18009
11 1 1 . 1 1 7 7 SER HA H 7 4.235 4.235 4.570 -0.335 18009
12 1 1 . 1 1 7 7 SER H H 7 8.091 8.091 8.002 0.089 18009
13 1 1 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.949 0.111 18009
14 1 1 . 1 1 8 8 ARG H H 8 8.166 8.166 8.372 -0.206 18009
15 1 1 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.825 -0.255 18009
16 1 1 . 1 1 9 9 TRP H H 9 7.934 7.934 7.569 0.364 18009
17 1 1 . 1 1 10 10 GLY H H 10 7.995 7.995 8.317 -0.322 18009
18 1 1 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.316 -0.292 18009
19 1 1 . 1 1 11 11 ARG H H 11 7.931 7.931 7.648 0.283 18009
20 1 1 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.203 0.244 18009
21 1 1 . 1 1 12 12 PHE H H 12 8.027 8.027 7.985 0.042 18009
22 1 1 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.876 0.230 18009
23 1 1 . 1 1 13 13 LEU H H 13 7.893 7.893 7.713 0.180 18009
24 1 1 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.003 0.129 18009
25 1 1 . 1 1 14 14 LEU H H 14 7.920 7.920 7.496 0.424 18009
26 1 1 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.250 -0.105 18009
27 1 1 . 1 1 15 15 GLN H H 15 8.117 8.117 8.039 0.078 18009
28 1 1 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.581 -0.414 18009
29 1 1 . 1 1 16 16 ARG H H 16 8.123 8.123 7.895 0.228 18009
30 1 1 . 1 1 17 17 GLY H H 17 8.252 8.252 8.377 -0.125 18009
31 1 1 . 1 1 18 18 SER HA H 18 4.315 4.315 4.717 -0.402 18009
32 1 1 . 1 1 18 18 SER H H 18 8.029 8.029 7.957 0.072 18009
33 1 1 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.821 -0.227 18009
34 1 1 . 1 1 19 19 TRP H H 19 8.159 8.159 7.803 0.356 18009
35 1 1 . 1 1 20 20 THR HA H 20 4.162 4.162 4.541 -0.379 18009
36 1 1 . 1 1 20 20 THR H H 20 7.844 7.844 8.201 -0.357 18009
37 1 1 . 1 1 21 21 GLY H H 21 7.268 7.268 7.195 0.073 18009
38 1 1 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.360 -0.073 18009
39 1 1 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.485 -0.318 18009
40 1 1 . 1 1 23 23 ARG H H 23 8.392 8.392 8.007 0.385 18009
41 1 2 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.524 -0.261 18009
42 1 2 . 1 1 2 2 ARG H H 2 8.714 8.714 8.221 0.493 18009
43 1 2 . 1 1 3 3 SER HA H 3 4.320 4.320 4.231 0.089 18009
44 1 2 . 1 1 3 3 SER H H 3 8.369 8.369 8.018 0.351 18009
45 1 2 . 1 1 4 4 SER HA H 4 4.317 4.317 4.498 -0.181 18009
46 1 2 . 1 1 4 4 SER H H 4 8.318 8.318 8.135 0.183 18009
47 1 2 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.513 -0.353 18009
48 1 2 . 1 1 5 5 LEU H H 5 8.125 8.125 7.507 0.618 18009
49 1 2 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.473 -0.366 18009
50 1 2 . 1 1 6 6 ARG H H 6 8.154 8.154 8.367 -0.213 18009
51 1 2 . 1 1 7 7 SER HA H 7 4.235 4.235 4.688 -0.453 18009
52 1 2 . 1 1 7 7 SER H H 7 8.091 8.091 7.835 0.256 18009
53 1 2 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.970 0.090 18009
54 1 2 . 1 1 8 8 ARG H H 8 8.166 8.166 8.116 0.050 18009
55 1 2 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.832 -0.262 18009
56 1 2 . 1 1 9 9 TRP H H 9 7.934 7.934 7.606 0.328 18009
57 1 2 . 1 1 10 10 GLY H H 10 7.995 7.995 8.333 -0.338 18009
58 1 2 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.386 -0.362 18009
59 1 2 . 1 1 11 11 ARG H H 11 7.931 7.931 7.852 0.079 18009
60 1 2 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.261 0.186 18009
61 1 2 . 1 1 12 12 PHE H H 12 8.027 8.027 8.096 -0.069 18009
62 1 2 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.893 0.213 18009
63 1 2 . 1 1 13 13 LEU H H 13 7.893 7.893 7.709 0.184 18009
64 1 2 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.051 0.081 18009
65 1 2 . 1 1 14 14 LEU H H 14 7.920 7.920 7.943 -0.023 18009
66 1 2 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.247 -0.102 18009
67 1 2 . 1 1 15 15 GLN H H 15 8.117 8.117 8.099 0.018 18009
68 1 2 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.581 -0.414 18009
69 1 2 . 1 1 16 16 ARG H H 16 8.123 8.123 7.874 0.249 18009
70 1 2 . 1 1 17 17 GLY H H 17 8.252 8.252 8.446 -0.194 18009
71 1 2 . 1 1 18 18 SER HA H 18 4.315 4.315 4.635 -0.320 18009
72 1 2 . 1 1 18 18 SER H H 18 8.029 8.029 8.076 -0.047 18009
73 1 2 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.810 -0.216 18009
74 1 2 . 1 1 19 19 TRP H H 19 8.159 8.159 7.876 0.283 18009
75 1 2 . 1 1 20 20 THR HA H 20 4.162 4.162 4.354 -0.192 18009
76 1 2 . 1 1 20 20 THR H H 20 7.844 7.844 8.174 -0.330 18009
77 1 2 . 1 1 21 21 GLY H H 21 7.268 7.268 7.136 0.132 18009
78 1 2 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.353 -0.066 18009
79 1 2 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.334 -0.167 18009
80 1 2 . 1 1 23 23 ARG H H 23 8.392 8.392 8.376 0.016 18009
81 1 3 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.598 -0.335 18009
82 1 3 . 1 1 2 2 ARG H H 2 8.714 8.714 8.361 0.353 18009
83 1 3 . 1 1 3 3 SER HA H 3 4.320 4.320 4.674 -0.354 18009
84 1 3 . 1 1 3 3 SER H H 3 8.369 8.369 8.766 -0.397 18009
85 1 3 . 1 1 4 4 SER HA H 4 4.317 4.317 4.430 -0.113 18009
86 1 3 . 1 1 4 4 SER H H 4 8.318 8.318 8.170 0.148 18009
87 1 3 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.459 -0.299 18009
88 1 3 . 1 1 5 5 LEU H H 5 8.125 8.125 7.265 0.860 18009
89 1 3 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.413 -0.306 18009
90 1 3 . 1 1 6 6 ARG H H 6 8.154 8.154 7.988 0.166 18009
91 1 3 . 1 1 7 7 SER HA H 7 4.235 4.235 4.584 -0.349 18009
92 1 3 . 1 1 7 7 SER H H 7 8.091 8.091 8.103 -0.012 18009
93 1 3 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.960 0.100 18009
94 1 3 . 1 1 8 8 ARG H H 8 8.166 8.166 8.334 -0.168 18009
95 1 3 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.828 -0.258 18009
96 1 3 . 1 1 9 9 TRP H H 9 7.934 7.934 7.568 0.366 18009
97 1 3 . 1 1 10 10 GLY H H 10 7.995 7.995 8.245 -0.250 18009
98 1 3 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.446 -0.422 18009
99 1 3 . 1 1 11 11 ARG H H 11 7.931 7.931 7.773 0.158 18009
100 1 3 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.173 0.274 18009
101 1 3 . 1 1 12 12 PHE H H 12 8.027 8.027 8.198 -0.171 18009
102 1 3 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.867 0.239 18009
103 1 3 . 1 1 13 13 LEU H H 13 7.893 7.893 7.814 0.079 18009
104 1 3 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.201 -0.069 18009
105 1 3 . 1 1 14 14 LEU H H 14 7.920 7.920 7.920 -0.000 18009
106 1 3 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.212 -0.067 18009
107 1 3 . 1 1 15 15 GLN H H 15 8.117 8.117 8.238 -0.121 18009
108 1 3 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.539 -0.372 18009
109 1 3 . 1 1 16 16 ARG H H 16 8.123 8.123 7.893 0.230 18009
110 1 3 . 1 1 17 17 GLY H H 17 8.252 8.252 8.267 -0.015 18009
111 1 3 . 1 1 18 18 SER HA H 18 4.315 4.315 4.619 -0.304 18009
112 1 3 . 1 1 18 18 SER H H 18 8.029 8.029 8.085 -0.056 18009
113 1 3 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.757 -0.163 18009
114 1 3 . 1 1 19 19 TRP H H 19 8.159 8.159 7.740 0.419 18009
115 1 3 . 1 1 20 20 THR HA H 20 4.162 4.162 4.501 -0.339 18009
116 1 3 . 1 1 20 20 THR H H 20 7.844 7.844 8.089 -0.245 18009
117 1 3 . 1 1 21 21 GLY H H 21 7.268 7.268 7.130 0.138 18009
118 1 3 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.415 -0.128 18009
119 1 3 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.587 -0.420 18009
120 1 3 . 1 1 23 23 ARG H H 23 8.392 8.392 8.434 -0.042 18009
121 1 4 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.585 -0.322 18009
122 1 4 . 1 1 2 2 ARG H H 2 8.714 8.714 8.635 0.079 18009
123 1 4 . 1 1 3 3 SER HA H 3 4.320 4.320 4.560 -0.240 18009
124 1 4 . 1 1 3 3 SER H H 3 8.369 8.369 8.543 -0.174 18009
125 1 4 . 1 1 4 4 SER HA H 4 4.317 4.317 4.458 -0.141 18009
126 1 4 . 1 1 4 4 SER H H 4 8.318 8.318 7.907 0.411 18009
127 1 4 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.507 -0.347 18009
128 1 4 . 1 1 5 5 LEU H H 5 8.125 8.125 7.353 0.772 18009
129 1 4 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.530 -0.423 18009
130 1 4 . 1 1 6 6 ARG H H 6 8.154 8.154 8.360 -0.206 18009
131 1 4 . 1 1 7 7 SER HA H 7 4.235 4.235 4.712 -0.477 18009
132 1 4 . 1 1 7 7 SER H H 7 8.091 8.091 7.869 0.222 18009
133 1 4 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.983 0.077 18009
134 1 4 . 1 1 8 8 ARG H H 8 8.166 8.166 8.109 0.057 18009
135 1 4 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.778 -0.208 18009
136 1 4 . 1 1 9 9 TRP H H 9 7.934 7.934 7.515 0.419 18009
137 1 4 . 1 1 10 10 GLY H H 10 7.995 7.995 8.237 -0.242 18009
138 1 4 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.374 -0.350 18009
139 1 4 . 1 1 11 11 ARG H H 11 7.931 7.931 7.814 0.117 18009
140 1 4 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.177 0.270 18009
141 1 4 . 1 1 12 12 PHE H H 12 8.027 8.027 8.263 -0.236 18009
142 1 4 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.872 0.234 18009
143 1 4 . 1 1 13 13 LEU H H 13 7.893 7.893 7.754 0.139 18009
144 1 4 . 1 1 14 14 LEU HA H 14 4.132 4.132 3.991 0.141 18009
145 1 4 . 1 1 14 14 LEU H H 14 7.920 7.920 7.865 0.055 18009
146 1 4 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.302 -0.157 18009
147 1 4 . 1 1 15 15 GLN H H 15 8.117 8.117 8.176 -0.059 18009
148 1 4 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.778 -0.611 18009
149 1 4 . 1 1 16 16 ARG H H 16 8.123 8.123 7.981 0.142 18009
150 1 4 . 1 1 17 17 GLY H H 17 8.252 8.252 8.367 -0.115 18009
151 1 4 . 1 1 18 18 SER HA H 18 4.315 4.315 4.686 -0.371 18009
152 1 4 . 1 1 18 18 SER H H 18 8.029 8.029 7.926 0.102 18009
153 1 4 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.771 -0.177 18009
154 1 4 . 1 1 19 19 TRP H H 19 8.159 8.159 7.759 0.400 18009
155 1 4 . 1 1 20 20 THR HA H 20 4.162 4.162 4.551 -0.389 18009
156 1 4 . 1 1 20 20 THR H H 20 7.844 7.844 7.985 -0.141 18009
157 1 4 . 1 1 21 21 GLY H H 21 7.268 7.268 7.625 -0.357 18009
158 1 4 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.317 -0.030 18009
159 1 4 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.606 -0.439 18009
160 1 4 . 1 1 23 23 ARG H H 23 8.392 8.392 8.026 0.366 18009
161 1 5 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.072 0.191 18009
162 1 5 . 1 1 2 2 ARG H H 2 8.714 8.714 8.749 -0.035 18009
163 1 5 . 1 1 3 3 SER HA H 3 4.320 4.320 4.380 -0.060 18009
164 1 5 . 1 1 3 3 SER H H 3 8.369 8.369 8.409 -0.040 18009
165 1 5 . 1 1 4 4 SER HA H 4 4.317 4.317 4.231 0.086 18009
166 1 5 . 1 1 4 4 SER H H 4 8.318 8.318 8.431 -0.113 18009
167 1 5 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.263 -0.103 18009
168 1 5 . 1 1 5 5 LEU H H 5 8.125 8.125 7.221 0.904 18009
169 1 5 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.379 -0.272 18009
170 1 5 . 1 1 6 6 ARG H H 6 8.154 8.154 7.911 0.243 18009
171 1 5 . 1 1 7 7 SER HA H 7 4.235 4.235 4.676 -0.441 18009
172 1 5 . 1 1 7 7 SER H H 7 8.091 8.091 8.059 0.032 18009
173 1 5 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.946 0.114 18009
174 1 5 . 1 1 8 8 ARG H H 8 8.166 8.166 7.963 0.203 18009
175 1 5 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.768 -0.198 18009
176 1 5 . 1 1 9 9 TRP H H 9 7.934 7.934 7.665 0.269 18009
177 1 5 . 1 1 10 10 GLY H H 10 7.995 7.995 8.374 -0.379 18009
178 1 5 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.339 -0.315 18009
179 1 5 . 1 1 11 11 ARG H H 11 7.931 7.931 7.783 0.148 18009
180 1 5 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.240 0.207 18009
181 1 5 . 1 1 12 12 PHE H H 12 8.027 8.027 8.305 -0.278 18009
182 1 5 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.868 0.238 18009
183 1 5 . 1 1 13 13 LEU H H 13 7.893 7.893 7.724 0.169 18009
184 1 5 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.087 0.045 18009
185 1 5 . 1 1 14 14 LEU H H 14 7.920 7.920 7.987 -0.067 18009
186 1 5 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.255 -0.110 18009
187 1 5 . 1 1 15 15 GLN H H 15 8.117 8.117 8.064 0.053 18009
188 1 5 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.599 -0.432 18009
189 1 5 . 1 1 16 16 ARG H H 16 8.123 8.123 7.973 0.150 18009
190 1 5 . 1 1 17 17 GLY H H 17 8.252 8.252 8.411 -0.159 18009
191 1 5 . 1 1 18 18 SER HA H 18 4.315 4.315 4.629 -0.314 18009
192 1 5 . 1 1 18 18 SER H H 18 8.029 8.029 8.067 -0.038 18009
193 1 5 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.779 -0.185 18009
194 1 5 . 1 1 19 19 TRP H H 19 8.159 8.159 7.795 0.364 18009
195 1 5 . 1 1 20 20 THR HA H 20 4.162 4.162 4.514 -0.352 18009
196 1 5 . 1 1 20 20 THR H H 20 7.844 7.844 7.905 -0.061 18009
197 1 5 . 1 1 21 21 GLY H H 21 7.268 7.268 7.952 -0.683 18009
198 1 5 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.507 -0.220 18009
199 1 5 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.538 -0.371 18009
200 1 5 . 1 1 23 23 ARG H H 23 8.392 8.392 8.572 -0.180 18009
201 1 6 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.583 -0.320 18009
202 1 6 . 1 1 2 2 ARG H H 2 8.714 8.714 7.982 0.732 18009
203 1 6 . 1 1 3 3 SER HA H 3 4.320 4.320 4.212 0.108 18009
204 1 6 . 1 1 3 3 SER H H 3 8.369 8.369 8.469 -0.100 18009
205 1 6 . 1 1 4 4 SER HA H 4 4.317 4.317 4.531 -0.214 18009
206 1 6 . 1 1 4 4 SER H H 4 8.318 8.318 8.227 0.091 18009
207 1 6 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.592 -0.432 18009
208 1 6 . 1 1 5 5 LEU H H 5 8.125 8.125 7.525 0.600 18009
209 1 6 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.527 -0.420 18009
210 1 6 . 1 1 6 6 ARG H H 6 8.154 8.154 8.306 -0.152 18009
211 1 6 . 1 1 7 7 SER HA H 7 4.235 4.235 4.638 -0.403 18009
212 1 6 . 1 1 7 7 SER H H 7 8.091 8.091 7.953 0.138 18009
213 1 6 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.982 0.078 18009
214 1 6 . 1 1 8 8 ARG H H 8 8.166 8.166 8.142 0.024 18009
215 1 6 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.835 -0.265 18009
216 1 6 . 1 1 9 9 TRP H H 9 7.934 7.934 7.627 0.307 18009
217 1 6 . 1 1 10 10 GLY H H 10 7.995 7.995 8.328 -0.333 18009
218 1 6 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.417 -0.393 18009
219 1 6 . 1 1 11 11 ARG H H 11 7.931 7.931 7.893 0.038 18009
220 1 6 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.299 0.148 18009
221 1 6 . 1 1 12 12 PHE H H 12 8.027 8.027 8.034 -0.007 18009
222 1 6 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.898 0.208 18009
223 1 6 . 1 1 13 13 LEU H H 13 7.893 7.893 7.665 0.228 18009
224 1 6 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.081 0.051 18009
225 1 6 . 1 1 14 14 LEU H H 14 7.920 7.920 8.114 -0.194 18009
226 1 6 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.252 -0.107 18009
227 1 6 . 1 1 15 15 GLN H H 15 8.117 8.117 8.303 -0.186 18009
228 1 6 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.577 -0.410 18009
229 1 6 . 1 1 16 16 ARG H H 16 8.123 8.123 8.009 0.114 18009
230 1 6 . 1 1 17 17 GLY H H 17 8.252 8.252 8.427 -0.175 18009
231 1 6 . 1 1 18 18 SER HA H 18 4.315 4.315 4.646 -0.331 18009
232 1 6 . 1 1 18 18 SER H H 18 8.029 8.029 8.091 -0.062 18009
233 1 6 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.797 -0.203 18009
234 1 6 . 1 1 19 19 TRP H H 19 8.159 8.159 7.828 0.331 18009
235 1 6 . 1 1 20 20 THR HA H 20 4.162 4.162 4.356 -0.194 18009
236 1 6 . 1 1 20 20 THR H H 20 7.844 7.844 8.082 -0.238 18009
237 1 6 . 1 1 21 21 GLY H H 21 7.268 7.268 7.163 0.105 18009
238 1 6 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.378 -0.091 18009
239 1 6 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.487 -0.320 18009
240 1 6 . 1 1 23 23 ARG H H 23 8.392 8.392 8.399 -0.007 18009
241 1 7 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.433 -0.170 18009
242 1 7 . 1 1 2 2 ARG H H 2 8.714 8.714 8.595 0.119 18009
243 1 7 . 1 1 3 3 SER HA H 3 4.320 4.320 4.559 -0.239 18009
244 1 7 . 1 1 3 3 SER H H 3 8.369 8.369 8.224 0.145 18009
245 1 7 . 1 1 4 4 SER HA H 4 4.317 4.317 4.540 -0.224 18009
246 1 7 . 1 1 4 4 SER H H 4 8.318 8.318 8.184 0.134 18009
247 1 7 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.530 -0.370 18009
248 1 7 . 1 1 5 5 LEU H H 5 8.125 8.125 7.320 0.805 18009
249 1 7 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.333 -0.226 18009
250 1 7 . 1 1 6 6 ARG H H 6 8.154 8.154 7.929 0.225 18009
251 1 7 . 1 1 7 7 SER HA H 7 4.235 4.235 4.571 -0.336 18009
252 1 7 . 1 1 7 7 SER H H 7 8.091 8.091 8.005 0.086 18009
253 1 7 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.949 0.111 18009
254 1 7 . 1 1 8 8 ARG H H 8 8.166 8.166 8.364 -0.198 18009
255 1 7 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.828 -0.258 18009
256 1 7 . 1 1 9 9 TRP H H 9 7.934 7.934 7.567 0.367 18009
257 1 7 . 1 1 10 10 GLY H H 10 7.995 7.995 8.321 -0.326 18009
258 1 7 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.318 -0.294 18009
259 1 7 . 1 1 11 11 ARG H H 11 7.931 7.931 7.631 0.300 18009
260 1 7 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.239 0.208 18009
261 1 7 . 1 1 12 12 PHE H H 12 8.027 8.027 8.064 -0.037 18009
262 1 7 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.886 0.220 18009
263 1 7 . 1 1 13 13 LEU H H 13 7.893 7.893 7.676 0.217 18009
264 1 7 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.056 0.076 18009
265 1 7 . 1 1 14 14 LEU H H 14 7.920 7.920 7.378 0.542 18009
266 1 7 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.216 -0.071 18009
267 1 7 . 1 1 15 15 GLN H H 15 8.117 8.117 8.146 -0.029 18009
268 1 7 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.553 -0.386 18009
269 1 7 . 1 1 16 16 ARG H H 16 8.123 8.123 7.817 0.306 18009
270 1 7 . 1 1 17 17 GLY H H 17 8.252 8.252 8.354 -0.102 18009
271 1 7 . 1 1 18 18 SER HA H 18 4.315 4.315 4.617 -0.302 18009
272 1 7 . 1 1 18 18 SER H H 18 8.029 8.029 8.003 0.026 18009
273 1 7 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.783 -0.189 18009
274 1 7 . 1 1 19 19 TRP H H 19 8.159 8.159 7.886 0.273 18009
275 1 7 . 1 1 20 20 THR HA H 20 4.162 4.162 4.509 -0.347 18009
276 1 7 . 1 1 20 20 THR H H 20 7.844 7.844 8.273 -0.429 18009
277 1 7 . 1 1 21 21 GLY H H 21 7.268 7.268 7.118 0.150 18009
278 1 7 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.421 -0.134 18009
279 1 7 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.310 -0.143 18009
280 1 7 . 1 1 23 23 ARG H H 23 8.392 8.392 8.852 -0.460 18009
281 1 8 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.512 -0.249 18009
282 1 8 . 1 1 2 2 ARG H H 2 8.714 8.714 8.489 0.225 18009
283 1 8 . 1 1 3 3 SER HA H 3 4.320 4.320 4.200 0.120 18009
284 1 8 . 1 1 3 3 SER H H 3 8.369 8.369 8.511 -0.142 18009
285 1 8 . 1 1 4 4 SER HA H 4 4.317 4.317 4.425 -0.108 18009
286 1 8 . 1 1 4 4 SER H H 4 8.318 8.318 8.239 0.079 18009
287 1 8 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.464 -0.304 18009
288 1 8 . 1 1 5 5 LEU H H 5 8.125 8.125 7.389 0.736 18009
289 1 8 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.460 -0.353 18009
290 1 8 . 1 1 6 6 ARG H H 6 8.154 8.154 8.095 0.059 18009
291 1 8 . 1 1 7 7 SER HA H 7 4.235 4.235 4.664 -0.429 18009
292 1 8 . 1 1 7 7 SER H H 7 8.091 8.091 7.891 0.200 18009
293 1 8 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.960 0.100 18009
294 1 8 . 1 1 8 8 ARG H H 8 8.166 8.166 8.134 0.032 18009
295 1 8 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.821 -0.251 18009
296 1 8 . 1 1 9 9 TRP H H 9 7.934 7.934 7.580 0.354 18009
297 1 8 . 1 1 10 10 GLY H H 10 7.995 7.995 8.337 -0.342 18009
298 1 8 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.375 -0.351 18009
299 1 8 . 1 1 11 11 ARG H H 11 7.931 7.931 7.858 0.073 18009
300 1 8 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.207 0.240 18009
301 1 8 . 1 1 12 12 PHE H H 12 8.027 8.027 8.004 0.023 18009
302 1 8 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.848 0.258 18009
303 1 8 . 1 1 13 13 LEU H H 13 7.893 7.893 7.724 0.169 18009
304 1 8 . 1 1 14 14 LEU HA H 14 4.132 4.132 3.983 0.149 18009
305 1 8 . 1 1 14 14 LEU H H 14 7.920 7.920 7.390 0.530 18009
306 1 8 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.230 -0.085 18009
307 1 8 . 1 1 15 15 GLN H H 15 8.117 8.117 8.156 -0.039 18009
308 1 8 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.571 -0.404 18009
309 1 8 . 1 1 16 16 ARG H H 16 8.123 8.123 7.823 0.300 18009
310 1 8 . 1 1 17 17 GLY H H 17 8.252 8.252 8.531 -0.279 18009
311 1 8 . 1 1 18 18 SER HA H 18 4.315 4.315 4.696 -0.381 18009
312 1 8 . 1 1 18 18 SER H H 18 8.029 8.029 7.840 0.189 18009
313 1 8 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.798 -0.204 18009
314 1 8 . 1 1 19 19 TRP H H 19 8.159 8.159 7.816 0.343 18009
315 1 8 . 1 1 20 20 THR HA H 20 4.162 4.162 4.585 -0.422 18009
316 1 8 . 1 1 20 20 THR H H 20 7.844 7.844 8.179 -0.335 18009
317 1 8 . 1 1 21 21 GLY H H 21 7.268 7.268 7.248 0.020 18009
318 1 8 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.344 -0.057 18009
319 1 8 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.493 -0.326 18009
320 1 8 . 1 1 23 23 ARG H H 23 8.392 8.392 7.929 0.463 18009
321 1 9 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.499 -0.236 18009
322 1 9 . 1 1 2 2 ARG H H 2 8.714 8.714 8.508 0.206 18009
323 1 9 . 1 1 3 3 SER HA H 3 4.320 4.320 4.505 -0.185 18009
324 1 9 . 1 1 3 3 SER H H 3 8.369 8.369 8.514 -0.145 18009
325 1 9 . 1 1 4 4 SER HA H 4 4.317 4.317 4.449 -0.132 18009
326 1 9 . 1 1 4 4 SER H H 4 8.318 8.318 8.056 0.262 18009
327 1 9 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.523 -0.363 18009
328 1 9 . 1 1 5 5 LEU H H 5 8.125 8.125 7.270 0.855 18009
329 1 9 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.564 -0.457 18009
330 1 9 . 1 1 6 6 ARG H H 6 8.154 8.154 8.056 0.098 18009
331 1 9 . 1 1 7 7 SER HA H 7 4.235 4.235 4.643 -0.408 18009
332 1 9 . 1 1 7 7 SER H H 7 8.091 8.091 8.000 0.091 18009
333 1 9 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.962 0.098 18009
334 1 9 . 1 1 8 8 ARG H H 8 8.166 8.166 8.311 -0.145 18009
335 1 9 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.824 -0.254 18009
336 1 9 . 1 1 9 9 TRP H H 9 7.934 7.934 7.584 0.350 18009
337 1 9 . 1 1 10 10 GLY H H 10 7.995 7.995 8.352 -0.357 18009
338 1 9 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.390 -0.366 18009
339 1 9 . 1 1 11 11 ARG H H 11 7.931 7.931 7.830 0.101 18009
340 1 9 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.230 0.217 18009
341 1 9 . 1 1 12 12 PHE H H 12 8.027 8.027 8.055 -0.028 18009
342 1 9 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.930 0.176 18009
343 1 9 . 1 1 13 13 LEU H H 13 7.893 7.893 7.747 0.146 18009
344 1 9 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.090 0.042 18009
345 1 9 . 1 1 14 14 LEU H H 14 7.920 7.920 8.113 -0.193 18009
346 1 9 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.206 -0.061 18009
347 1 9 . 1 1 15 15 GLN H H 15 8.117 8.117 8.081 0.036 18009
348 1 9 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.588 -0.421 18009
349 1 9 . 1 1 16 16 ARG H H 16 8.123 8.123 7.789 0.334 18009
350 1 9 . 1 1 17 17 GLY H H 17 8.252 8.252 8.518 -0.266 18009
351 1 9 . 1 1 18 18 SER HA H 18 4.315 4.315 4.621 -0.306 18009
352 1 9 . 1 1 18 18 SER H H 18 8.029 8.029 7.994 0.035 18009
353 1 9 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.807 -0.213 18009
354 1 9 . 1 1 19 19 TRP H H 19 8.159 8.159 7.869 0.290 18009
355 1 9 . 1 1 20 20 THR HA H 20 4.162 4.162 4.373 -0.211 18009
356 1 9 . 1 1 20 20 THR H H 20 7.844 7.844 7.912 -0.068 18009
357 1 9 . 1 1 21 21 GLY H H 21 7.268 7.268 7.321 -0.053 18009
358 1 9 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.335 -0.048 18009
359 1 9 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.234 -0.067 18009
360 1 9 . 1 1 23 23 ARG H H 23 8.392 8.392 8.186 0.206 18009
361 1 10 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.568 -0.305 18009
362 1 10 . 1 1 2 2 ARG H H 2 8.714 8.714 8.093 0.621 18009
363 1 10 . 1 1 3 3 SER HA H 3 4.320 4.320 4.207 0.113 18009
364 1 10 . 1 1 3 3 SER H H 3 8.369 8.369 8.911 -0.542 18009
365 1 10 . 1 1 4 4 SER HA H 4 4.317 4.317 4.553 -0.236 18009
366 1 10 . 1 1 4 4 SER H H 4 8.318 8.318 8.240 0.078 18009
367 1 10 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.647 -0.487 18009
368 1 10 . 1 1 5 5 LEU H H 5 8.125 8.125 7.521 0.604 18009
369 1 10 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.463 -0.356 18009
370 1 10 . 1 1 6 6 ARG H H 6 8.154 8.154 8.323 -0.169 18009
371 1 10 . 1 1 7 7 SER HA H 7 4.235 4.235 4.596 -0.361 18009
372 1 10 . 1 1 7 7 SER H H 7 8.091 8.091 7.942 0.149 18009
373 1 10 . 1 1 8 8 ARG HA H 8 4.060 4.060 4.013 0.047 18009
374 1 10 . 1 1 8 8 ARG H H 8 8.166 8.166 8.143 0.024 18009
375 1 10 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.726 -0.156 18009
376 1 10 . 1 1 9 9 TRP H H 9 7.934 7.934 7.539 0.395 18009
377 1 10 . 1 1 10 10 GLY H H 10 7.995 7.995 8.314 -0.319 18009
378 1 10 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.274 -0.250 18009
379 1 10 . 1 1 11 11 ARG H H 11 7.931 7.931 7.656 0.275 18009
380 1 10 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.169 0.278 18009
381 1 10 . 1 1 12 12 PHE H H 12 8.027 8.027 7.900 0.127 18009
382 1 10 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.202 -0.096 18009
383 1 10 . 1 1 13 13 LEU H H 13 7.893 7.893 7.789 0.104 18009
384 1 10 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.093 0.039 18009
385 1 10 . 1 1 14 14 LEU H H 14 7.920 7.920 7.468 0.452 18009
386 1 10 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.187 -0.042 18009
387 1 10 . 1 1 15 15 GLN H H 15 8.117 8.117 8.174 -0.057 18009
388 1 10 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.616 -0.449 18009
389 1 10 . 1 1 16 16 ARG H H 16 8.123 8.123 7.919 0.204 18009
390 1 10 . 1 1 17 17 GLY H H 17 8.252 8.252 8.423 -0.171 18009
391 1 10 . 1 1 18 18 SER HA H 18 4.315 4.315 4.628 -0.313 18009
392 1 10 . 1 1 18 18 SER H H 18 8.029 8.029 8.029 -0.000 18009
393 1 10 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.795 -0.201 18009
394 1 10 . 1 1 19 19 TRP H H 19 8.159 8.159 7.895 0.264 18009
395 1 10 . 1 1 20 20 THR HA H 20 4.162 4.162 4.380 -0.218 18009
396 1 10 . 1 1 20 20 THR H H 20 7.844 7.844 7.948 -0.104 18009
397 1 10 . 1 1 21 21 GLY H H 21 7.268 7.268 7.374 -0.106 18009
398 1 10 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.323 -0.036 18009
399 1 10 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.149 0.018 18009
400 1 10 . 1 1 23 23 ARG H H 23 8.392 8.392 8.618 -0.226 18009
401 1 11 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.447 -0.184 18009
402 1 11 . 1 1 2 2 ARG H H 2 8.714 8.714 8.661 0.053 18009
403 1 11 . 1 1 3 3 SER HA H 3 4.320 4.320 4.274 0.046 18009
404 1 11 . 1 1 3 3 SER H H 3 8.369 8.369 8.117 0.252 18009
405 1 11 . 1 1 4 4 SER HA H 4 4.317 4.317 4.587 -0.270 18009
406 1 11 . 1 1 4 4 SER H H 4 8.318 8.318 8.152 0.166 18009
407 1 11 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.628 -0.468 18009
408 1 11 . 1 1 5 5 LEU H H 5 8.125 8.125 7.477 0.648 18009
409 1 11 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.387 -0.280 18009
410 1 11 . 1 1 6 6 ARG H H 6 8.154 8.154 8.369 -0.215 18009
411 1 11 . 1 1 7 7 SER HA H 7 4.235 4.235 4.674 -0.439 18009
412 1 11 . 1 1 7 7 SER H H 7 8.091 8.091 7.769 0.322 18009
413 1 11 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.962 0.098 18009
414 1 11 . 1 1 8 8 ARG H H 8 8.166 8.166 8.102 0.064 18009
415 1 11 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.855 -0.285 18009
416 1 11 . 1 1 9 9 TRP H H 9 7.934 7.934 7.504 0.430 18009
417 1 11 . 1 1 10 10 GLY H H 10 7.995 7.995 8.247 -0.252 18009
418 1 11 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.285 -0.261 18009
419 1 11 . 1 1 11 11 ARG H H 11 7.931 7.931 7.724 0.207 18009
420 1 11 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.156 0.291 18009
421 1 11 . 1 1 12 12 PHE H H 12 8.027 8.027 7.989 0.038 18009
422 1 11 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.808 0.298 18009
423 1 11 . 1 1 13 13 LEU H H 13 7.893 7.893 7.769 0.124 18009
424 1 11 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.061 0.071 18009
425 1 11 . 1 1 14 14 LEU H H 14 7.920 7.920 7.720 0.200 18009
426 1 11 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.205 -0.060 18009
427 1 11 . 1 1 15 15 GLN H H 15 8.117 8.117 8.117 -0.000 18009
428 1 11 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.575 -0.408 18009
429 1 11 . 1 1 16 16 ARG H H 16 8.123 8.123 7.741 0.382 18009
430 1 11 . 1 1 17 17 GLY H H 17 8.252 8.252 8.486 -0.234 18009
431 1 11 . 1 1 18 18 SER HA H 18 4.315 4.315 4.616 -0.301 18009
432 1 11 . 1 1 18 18 SER H H 18 8.029 8.029 7.986 0.043 18009
433 1 11 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.770 -0.176 18009
434 1 11 . 1 1 19 19 TRP H H 19 8.159 8.159 7.851 0.308 18009
435 1 11 . 1 1 20 20 THR HA H 20 4.162 4.162 4.514 -0.352 18009
436 1 11 . 1 1 20 20 THR H H 20 7.844 7.844 8.269 -0.425 18009
437 1 11 . 1 1 21 21 GLY H H 21 7.268 7.268 7.095 0.173 18009
438 1 11 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.277 0.010 18009
439 1 11 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.037 0.130 18009
440 1 11 . 1 1 23 23 ARG H H 23 8.392 8.392 8.403 -0.011 18009
441 1 12 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.414 -0.151 18009
442 1 12 . 1 1 2 2 ARG H H 2 8.714 8.714 8.693 0.021 18009
443 1 12 . 1 1 3 3 SER HA H 3 4.320 4.320 4.205 0.115 18009
444 1 12 . 1 1 3 3 SER H H 3 8.369 8.369 8.112 0.257 18009
445 1 12 . 1 1 4 4 SER HA H 4 4.317 4.317 4.375 -0.058 18009
446 1 12 . 1 1 4 4 SER H H 4 8.318 8.318 8.019 0.299 18009
447 1 12 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.468 -0.308 18009
448 1 12 . 1 1 5 5 LEU H H 5 8.125 8.125 7.479 0.646 18009
449 1 12 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.503 -0.396 18009
450 1 12 . 1 1 6 6 ARG H H 6 8.154 8.154 8.219 -0.065 18009
451 1 12 . 1 1 7 7 SER HA H 7 4.235 4.235 4.751 -0.516 18009
452 1 12 . 1 1 7 7 SER H H 7 8.091 8.091 7.855 0.236 18009
453 1 12 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.969 0.091 18009
454 1 12 . 1 1 8 8 ARG H H 8 8.166 8.166 8.121 0.045 18009
455 1 12 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.828 -0.258 18009
456 1 12 . 1 1 9 9 TRP H H 9 7.934 7.934 7.564 0.370 18009
457 1 12 . 1 1 10 10 GLY H H 10 7.995 7.995 8.358 -0.363 18009
458 1 12 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.357 -0.333 18009
459 1 12 . 1 1 11 11 ARG H H 11 7.931 7.931 7.866 0.065 18009
460 1 12 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.191 0.256 18009
461 1 12 . 1 1 12 12 PHE H H 12 8.027 8.027 8.273 -0.246 18009
462 1 12 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.928 0.178 18009
463 1 12 . 1 1 13 13 LEU H H 13 7.893 7.893 7.850 0.043 18009
464 1 12 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.298 -0.166 18009
465 1 12 . 1 1 14 14 LEU H H 14 7.920 7.920 8.070 -0.150 18009
466 1 12 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.211 -0.066 18009
467 1 12 . 1 1 15 15 GLN H H 15 8.117 8.117 8.244 -0.127 18009
468 1 12 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.551 -0.384 18009
469 1 12 . 1 1 16 16 ARG H H 16 8.123 8.123 7.463 0.660 18009
470 1 12 . 1 1 17 17 GLY H H 17 8.252 8.252 8.338 -0.086 18009
471 1 12 . 1 1 18 18 SER HA H 18 4.315 4.315 4.613 -0.298 18009
472 1 12 . 1 1 18 18 SER H H 18 8.029 8.029 8.022 0.007 18009
473 1 12 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.764 -0.170 18009
474 1 12 . 1 1 19 19 TRP H H 19 8.159 8.159 7.847 0.312 18009
475 1 12 . 1 1 20 20 THR HA H 20 4.162 4.162 4.519 -0.357 18009
476 1 12 . 1 1 20 20 THR H H 20 7.844 7.844 8.293 -0.449 18009
477 1 12 . 1 1 21 21 GLY H H 21 7.268 7.268 6.990 0.278 18009
478 1 12 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.400 -0.113 18009
479 1 12 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.705 -0.538 18009
480 1 12 . 1 1 23 23 ARG H H 23 8.392 8.392 8.420 -0.028 18009
481 1 13 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.213 0.050 18009
482 1 13 . 1 1 2 2 ARG H H 2 8.714 8.714 8.465 0.249 18009
483 1 13 . 1 1 3 3 SER HA H 3 4.320 4.320 4.617 -0.297 18009
484 1 13 . 1 1 3 3 SER H H 3 8.369 8.369 8.329 0.040 18009
485 1 13 . 1 1 4 4 SER HA H 4 4.317 4.317 4.550 -0.233 18009
486 1 13 . 1 1 4 4 SER H H 4 8.318 8.318 8.130 0.188 18009
487 1 13 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.414 -0.254 18009
488 1 13 . 1 1 5 5 LEU H H 5 8.125 8.125 7.313 0.812 18009
489 1 13 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.328 -0.221 18009
490 1 13 . 1 1 6 6 ARG H H 6 8.154 8.154 7.753 0.401 18009
491 1 13 . 1 1 7 7 SER HA H 7 4.235 4.235 4.558 -0.323 18009
492 1 13 . 1 1 7 7 SER H H 7 8.091 8.091 8.119 -0.028 18009
493 1 13 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.985 0.075 18009
494 1 13 . 1 1 8 8 ARG H H 8 8.166 8.166 8.345 -0.179 18009
495 1 13 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.734 -0.164 18009
496 1 13 . 1 1 9 9 TRP H H 9 7.934 7.934 7.538 0.396 18009
497 1 13 . 1 1 10 10 GLY H H 10 7.995 7.995 8.208 -0.213 18009
498 1 13 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.350 -0.326 18009
499 1 13 . 1 1 11 11 ARG H H 11 7.931 7.931 7.828 0.103 18009
500 1 13 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.371 0.076 18009
501 1 13 . 1 1 12 12 PHE H H 12 8.027 8.027 8.069 -0.042 18009
502 1 13 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.223 -0.117 18009
503 1 13 . 1 1 13 13 LEU H H 13 7.893 7.893 7.938 -0.045 18009
504 1 13 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.070 0.062 18009
505 1 13 . 1 1 14 14 LEU H H 14 7.920 7.920 7.695 0.225 18009
506 1 13 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.205 -0.060 18009
507 1 13 . 1 1 15 15 GLN H H 15 8.117 8.117 8.305 -0.188 18009
508 1 13 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.670 -0.503 18009
509 1 13 . 1 1 16 16 ARG H H 16 8.123 8.123 7.556 0.567 18009
510 1 13 . 1 1 17 17 GLY H H 17 8.252 8.252 8.462 -0.210 18009
511 1 13 . 1 1 18 18 SER HA H 18 4.315 4.315 4.702 -0.387 18009
512 1 13 . 1 1 18 18 SER H H 18 8.029 8.029 7.887 0.142 18009
513 1 13 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.807 -0.213 18009
514 1 13 . 1 1 19 19 TRP H H 19 8.159 8.159 7.809 0.350 18009
515 1 13 . 1 1 20 20 THR HA H 20 4.162 4.162 4.556 -0.395 18009
516 1 13 . 1 1 20 20 THR H H 20 7.844 7.844 8.195 -0.351 18009
517 1 13 . 1 1 21 21 GLY H H 21 7.268 7.268 7.197 0.071 18009
518 1 13 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.305 -0.018 18009
519 1 13 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.425 -0.258 18009
520 1 13 . 1 1 23 23 ARG H H 23 8.392 8.392 8.053 0.339 18009
521 1 14 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.572 -0.309 18009
522 1 14 . 1 1 2 2 ARG H H 2 8.714 8.714 8.425 0.289 18009
523 1 14 . 1 1 3 3 SER HA H 3 4.320 4.320 4.624 -0.304 18009
524 1 14 . 1 1 3 3 SER H H 3 8.369 8.369 8.811 -0.442 18009
525 1 14 . 1 1 4 4 SER HA H 4 4.317 4.317 4.631 -0.314 18009
526 1 14 . 1 1 4 4 SER H H 4 8.318 8.318 8.166 0.152 18009
527 1 14 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.368 -0.208 18009
528 1 14 . 1 1 5 5 LEU H H 5 8.125 8.125 7.302 0.823 18009
529 1 14 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.353 -0.246 18009
530 1 14 . 1 1 6 6 ARG H H 6 8.154 8.154 7.785 0.369 18009
531 1 14 . 1 1 7 7 SER HA H 7 4.235 4.235 4.558 -0.323 18009
532 1 14 . 1 1 7 7 SER H H 7 8.091 8.091 8.106 -0.015 18009
533 1 14 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.993 0.067 18009
534 1 14 . 1 1 8 8 ARG H H 8 8.166 8.166 8.325 -0.159 18009
535 1 14 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.738 -0.168 18009
536 1 14 . 1 1 9 9 TRP H H 9 7.934 7.934 7.532 0.402 18009
537 1 14 . 1 1 10 10 GLY H H 10 7.995 7.995 8.315 -0.320 18009
538 1 14 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.434 -0.410 18009
539 1 14 . 1 1 11 11 ARG H H 11 7.931 7.931 7.856 0.075 18009
540 1 14 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.319 0.128 18009
541 1 14 . 1 1 12 12 PHE H H 12 8.027 8.027 7.972 0.055 18009
542 1 14 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.199 -0.093 18009
543 1 14 . 1 1 13 13 LEU H H 13 7.893 7.893 7.706 0.187 18009
544 1 14 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.075 0.057 18009
545 1 14 . 1 1 14 14 LEU H H 14 7.920 7.920 8.113 -0.193 18009
546 1 14 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.214 -0.069 18009
547 1 14 . 1 1 15 15 GLN H H 15 8.117 8.117 8.326 -0.209 18009
548 1 14 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.699 -0.532 18009
549 1 14 . 1 1 16 16 ARG H H 16 8.123 8.123 8.066 0.057 18009
550 1 14 . 1 1 17 17 GLY H H 17 8.252 8.252 8.367 -0.115 18009
551 1 14 . 1 1 18 18 SER HA H 18 4.315 4.315 4.700 -0.385 18009
552 1 14 . 1 1 18 18 SER H H 18 8.029 8.029 8.063 -0.034 18009
553 1 14 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.769 -0.175 18009
554 1 14 . 1 1 19 19 TRP H H 19 8.159 8.159 7.779 0.380 18009
555 1 14 . 1 1 20 20 THR HA H 20 4.162 4.162 4.532 -0.370 18009
556 1 14 . 1 1 20 20 THR H H 20 7.844 7.844 8.112 -0.268 18009
557 1 14 . 1 1 21 21 GLY H H 21 7.268 7.268 7.168 0.100 18009
558 1 14 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.424 -0.137 18009
559 1 14 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.384 -0.217 18009
560 1 14 . 1 1 23 23 ARG H H 23 8.392 8.392 8.768 -0.376 18009
561 1 15 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.617 -0.354 18009
562 1 15 . 1 1 2 2 ARG H H 2 8.714 8.714 7.907 0.807 18009
563 1 15 . 1 1 3 3 SER HA H 3 4.320 4.320 4.153 0.167 18009
564 1 15 . 1 1 3 3 SER H H 3 8.369 8.369 8.910 -0.541 18009
565 1 15 . 1 1 4 4 SER HA H 4 4.317 4.317 4.419 -0.102 18009
566 1 15 . 1 1 4 4 SER H H 4 8.318 8.318 8.027 0.291 18009
567 1 15 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.577 -0.417 18009
568 1 15 . 1 1 5 5 LEU H H 5 8.125 8.125 7.459 0.666 18009
569 1 15 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.513 -0.406 18009
570 1 15 . 1 1 6 6 ARG H H 6 8.154 8.154 8.304 -0.150 18009
571 1 15 . 1 1 7 7 SER HA H 7 4.235 4.235 4.653 -0.418 18009
572 1 15 . 1 1 7 7 SER H H 7 8.091 8.091 7.887 0.204 18009
573 1 15 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.978 0.082 18009
574 1 15 . 1 1 8 8 ARG H H 8 8.166 8.166 8.123 0.043 18009
575 1 15 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.737 -0.167 18009
576 1 15 . 1 1 9 9 TRP H H 9 7.934 7.934 7.556 0.378 18009
577 1 15 . 1 1 10 10 GLY H H 10 7.995 7.995 8.324 -0.329 18009
578 1 15 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.264 -0.240 18009
579 1 15 . 1 1 11 11 ARG H H 11 7.931 7.931 7.690 0.241 18009
580 1 15 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.194 0.253 18009
581 1 15 . 1 1 12 12 PHE H H 12 8.027 8.027 7.947 0.080 18009
582 1 15 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.191 -0.085 18009
583 1 15 . 1 1 13 13 LEU H H 13 7.893 7.893 7.845 0.048 18009
584 1 15 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.135 -0.003 18009
585 1 15 . 1 1 14 14 LEU H H 14 7.920 7.920 8.083 -0.163 18009
586 1 15 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.223 -0.078 18009
587 1 15 . 1 1 15 15 GLN H H 15 8.117 8.117 8.150 -0.033 18009
588 1 15 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.615 -0.448 18009
589 1 15 . 1 1 16 16 ARG H H 16 8.123 8.123 7.938 0.185 18009
590 1 15 . 1 1 17 17 GLY H H 17 8.252 8.252 8.415 -0.163 18009
591 1 15 . 1 1 18 18 SER HA H 18 4.315 4.315 4.625 -0.310 18009
592 1 15 . 1 1 18 18 SER H H 18 8.029 8.029 8.017 0.012 18009
593 1 15 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.783 -0.189 18009
594 1 15 . 1 1 19 19 TRP H H 19 8.159 8.159 7.876 0.283 18009
595 1 15 . 1 1 20 20 THR HA H 20 4.162 4.162 4.501 -0.339 18009
596 1 15 . 1 1 20 20 THR H H 20 7.844 7.844 8.223 -0.379 18009
597 1 15 . 1 1 21 21 GLY H H 21 7.268 7.268 7.180 0.088 18009
598 1 15 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.415 -0.128 18009
599 1 15 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.080 0.087 18009
600 1 15 . 1 1 23 23 ARG H H 23 8.392 8.392 8.656 -0.264 18009
601 1 16 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.589 -0.326 18009
602 1 16 . 1 1 2 2 ARG H H 2 8.714 8.714 8.168 0.546 18009
603 1 16 . 1 1 3 3 SER HA H 3 4.320 4.320 4.193 0.127 18009
604 1 16 . 1 1 3 3 SER H H 3 8.369 8.369 8.256 0.113 18009
605 1 16 . 1 1 4 4 SER HA H 4 4.317 4.317 4.567 -0.250 18009
606 1 16 . 1 1 4 4 SER H H 4 8.318 8.318 8.377 -0.059 18009
607 1 16 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.562 -0.402 18009
608 1 16 . 1 1 5 5 LEU H H 5 8.125 8.125 7.567 0.558 18009
609 1 16 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.476 -0.369 18009
610 1 16 . 1 1 6 6 ARG H H 6 8.154 8.154 8.403 -0.249 18009
611 1 16 . 1 1 7 7 SER HA H 7 4.235 4.235 4.608 -0.373 18009
612 1 16 . 1 1 7 7 SER H H 7 8.091 8.091 7.898 0.193 18009
613 1 16 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.997 0.063 18009
614 1 16 . 1 1 8 8 ARG H H 8 8.166 8.166 8.154 0.012 18009
615 1 16 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.829 -0.259 18009
616 1 16 . 1 1 9 9 TRP H H 9 7.934 7.934 7.578 0.356 18009
617 1 16 . 1 1 10 10 GLY H H 10 7.995 7.995 8.351 -0.356 18009
618 1 16 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.313 -0.289 18009
619 1 16 . 1 1 11 11 ARG H H 11 7.931 7.931 7.899 0.032 18009
620 1 16 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.232 0.215 18009
621 1 16 . 1 1 12 12 PHE H H 12 8.027 8.027 8.059 -0.032 18009
622 1 16 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.916 0.191 18009
623 1 16 . 1 1 13 13 LEU H H 13 7.893 7.893 7.737 0.155 18009
624 1 16 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.108 0.024 18009
625 1 16 . 1 1 14 14 LEU H H 14 7.920 7.920 8.096 -0.176 18009
626 1 16 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.253 -0.108 18009
627 1 16 . 1 1 15 15 GLN H H 15 8.117 8.117 8.137 -0.020 18009
628 1 16 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.593 -0.426 18009
629 1 16 . 1 1 16 16 ARG H H 16 8.123 8.123 7.842 0.281 18009
630 1 16 . 1 1 17 17 GLY H H 17 8.252 8.252 8.509 -0.257 18009
631 1 16 . 1 1 18 18 SER HA H 18 4.315 4.315 4.617 -0.302 18009
632 1 16 . 1 1 18 18 SER H H 18 8.029 8.029 7.997 0.032 18009
633 1 16 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.789 -0.195 18009
634 1 16 . 1 1 19 19 TRP H H 19 8.159 8.159 7.888 0.271 18009
635 1 16 . 1 1 20 20 THR HA H 20 4.162 4.162 4.374 -0.212 18009
636 1 16 . 1 1 20 20 THR H H 20 7.844 7.844 8.064 -0.220 18009
637 1 16 . 1 1 21 21 GLY H H 21 7.268 7.268 7.301 -0.033 18009
638 1 16 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.240 0.047 18009
639 1 16 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.254 -0.087 18009
640 1 16 . 1 1 23 23 ARG H H 23 8.392 8.392 8.312 0.080 18009
641 1 17 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.413 -0.150 18009
642 1 17 . 1 1 2 2 ARG H H 2 8.714 8.714 8.619 0.095 18009
643 1 17 . 1 1 3 3 SER HA H 3 4.320 4.320 4.578 -0.258 18009
644 1 17 . 1 1 3 3 SER H H 3 8.369 8.369 8.233 0.136 18009
645 1 17 . 1 1 4 4 SER HA H 4 4.317 4.317 4.461 -0.144 18009
646 1 17 . 1 1 4 4 SER H H 4 8.318 8.318 7.992 0.326 18009
647 1 17 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.353 -0.193 18009
648 1 17 . 1 1 5 5 LEU H H 5 8.125 8.125 7.409 0.716 18009
649 1 17 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.352 -0.245 18009
650 1 17 . 1 1 6 6 ARG H H 6 8.154 8.154 7.979 0.175 18009
651 1 17 . 1 1 7 7 SER HA H 7 4.235 4.235 4.576 -0.341 18009
652 1 17 . 1 1 7 7 SER H H 7 8.091 8.091 7.764 0.327 18009
653 1 17 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.963 0.097 18009
654 1 17 . 1 1 8 8 ARG H H 8 8.166 8.166 8.339 -0.173 18009
655 1 17 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.739 -0.169 18009
656 1 17 . 1 1 9 9 TRP H H 9 7.934 7.934 7.489 0.445 18009
657 1 17 . 1 1 10 10 GLY H H 10 7.995 7.995 8.238 -0.243 18009
658 1 17 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.348 -0.324 18009
659 1 17 . 1 1 11 11 ARG H H 11 7.931 7.931 7.917 0.014 18009
660 1 17 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.181 0.266 18009
661 1 17 . 1 1 12 12 PHE H H 12 8.027 8.027 8.166 -0.139 18009
662 1 17 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.158 -0.052 18009
663 1 17 . 1 1 13 13 LEU H H 13 7.893 7.893 7.925 -0.032 18009
664 1 17 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.222 -0.090 18009
665 1 17 . 1 1 14 14 LEU H H 14 7.920 7.920 8.053 -0.133 18009
666 1 17 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.213 -0.068 18009
667 1 17 . 1 1 15 15 GLN H H 15 8.117 8.117 8.394 -0.277 18009
668 1 17 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.678 -0.511 18009
669 1 17 . 1 1 16 16 ARG H H 16 8.123 8.123 8.049 0.074 18009
670 1 17 . 1 1 17 17 GLY H H 17 8.252 8.252 8.476 -0.224 18009
671 1 17 . 1 1 18 18 SER HA H 18 4.315 4.315 4.628 -0.313 18009
672 1 17 . 1 1 18 18 SER H H 18 8.029 8.029 8.111 -0.082 18009
673 1 17 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.762 -0.168 18009
674 1 17 . 1 1 19 19 TRP H H 19 8.159 8.159 7.824 0.336 18009
675 1 17 . 1 1 20 20 THR HA H 20 4.162 4.162 4.414 -0.252 18009
676 1 17 . 1 1 20 20 THR H H 20 7.844 7.844 7.925 -0.081 18009
677 1 17 . 1 1 21 21 GLY H H 21 7.268 7.268 7.405 -0.137 18009
678 1 17 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.407 -0.120 18009
679 1 17 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.149 0.018 18009
680 1 17 . 1 1 23 23 ARG H H 23 8.392 8.392 8.573 -0.181 18009
681 1 18 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.578 -0.315 18009
682 1 18 . 1 1 2 2 ARG H H 2 8.714 8.714 8.046 0.668 18009
683 1 18 . 1 1 3 3 SER HA H 3 4.320 4.320 4.230 0.090 18009
684 1 18 . 1 1 3 3 SER H H 3 8.369 8.369 8.474 -0.105 18009
685 1 18 . 1 1 4 4 SER HA H 4 4.317 4.317 4.555 -0.238 18009
686 1 18 . 1 1 4 4 SER H H 4 8.318 8.318 8.275 0.043 18009
687 1 18 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.594 -0.434 18009
688 1 18 . 1 1 5 5 LEU H H 5 8.125 8.125 7.570 0.555 18009
689 1 18 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.508 -0.401 18009
690 1 18 . 1 1 6 6 ARG H H 6 8.154 8.154 8.301 -0.147 18009
691 1 18 . 1 1 7 7 SER HA H 7 4.235 4.235 4.599 -0.364 18009
692 1 18 . 1 1 7 7 SER H H 7 8.091 8.091 7.940 0.151 18009
693 1 18 . 1 1 8 8 ARG HA H 8 4.060 4.060 4.016 0.044 18009
694 1 18 . 1 1 8 8 ARG H H 8 8.166 8.166 8.165 0.001 18009
695 1 18 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.876 -0.306 18009
696 1 18 . 1 1 9 9 TRP H H 9 7.934 7.934 7.600 0.334 18009
697 1 18 . 1 1 10 10 GLY H H 10 7.995 7.995 8.299 -0.304 18009
698 1 18 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.466 -0.442 18009
699 1 18 . 1 1 11 11 ARG H H 11 7.931 7.931 7.845 0.086 18009
700 1 18 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.329 0.118 18009
701 1 18 . 1 1 12 12 PHE H H 12 8.027 8.027 8.013 0.014 18009
702 1 18 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.830 0.276 18009
703 1 18 . 1 1 13 13 LEU H H 13 7.893 7.893 7.529 0.364 18009
704 1 18 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.089 0.043 18009
705 1 18 . 1 1 14 14 LEU H H 14 7.920 7.920 7.813 0.107 18009
706 1 18 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.255 -0.110 18009
707 1 18 . 1 1 15 15 GLN H H 15 8.117 8.117 8.186 -0.069 18009
708 1 18 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.531 -0.364 18009
709 1 18 . 1 1 16 16 ARG H H 16 8.123 8.123 7.490 0.633 18009
710 1 18 . 1 1 17 17 GLY H H 17 8.252 8.252 8.348 -0.096 18009
711 1 18 . 1 1 18 18 SER HA H 18 4.315 4.315 4.700 -0.385 18009
712 1 18 . 1 1 18 18 SER H H 18 8.029 8.029 7.921 0.108 18009
713 1 18 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.811 -0.217 18009
714 1 18 . 1 1 19 19 TRP H H 19 8.159 8.159 7.815 0.344 18009
715 1 18 . 1 1 20 20 THR HA H 20 4.162 4.162 4.419 -0.257 18009
716 1 18 . 1 1 20 20 THR H H 20 7.844 7.844 8.066 -0.222 18009
717 1 18 . 1 1 21 21 GLY H H 21 7.268 7.268 7.399 -0.131 18009
718 1 18 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.255 0.032 18009
719 1 18 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.507 -0.340 18009
720 1 18 . 1 1 23 23 ARG H H 23 8.392 8.392 8.119 0.273 18009
721 1 19 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.534 -0.271 18009
722 1 19 . 1 1 2 2 ARG H H 2 8.714 8.714 8.586 0.128 18009
723 1 19 . 1 1 3 3 SER HA H 3 4.320 4.320 4.184 0.136 18009
724 1 19 . 1 1 3 3 SER H H 3 8.369 8.369 8.463 -0.094 18009
725 1 19 . 1 1 4 4 SER HA H 4 4.317 4.317 4.489 -0.172 18009
726 1 19 . 1 1 4 4 SER H H 4 8.318 8.318 8.214 0.104 18009
727 1 19 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.402 -0.242 18009
728 1 19 . 1 1 5 5 LEU H H 5 8.125 8.125 7.623 0.502 18009
729 1 19 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.334 -0.227 18009
730 1 19 . 1 1 6 6 ARG H H 6 8.154 8.154 8.338 -0.184 18009
731 1 19 . 1 1 7 7 SER HA H 7 4.235 4.235 4.667 -0.432 18009
732 1 19 . 1 1 7 7 SER H H 7 8.091 8.091 7.908 0.183 18009
733 1 19 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.965 0.095 18009
734 1 19 . 1 1 8 8 ARG H H 8 8.166 8.166 8.051 0.115 18009
735 1 19 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.541 0.029 18009
736 1 19 . 1 1 9 9 TRP H H 9 7.934 7.934 7.365 0.569 18009
737 1 19 . 1 1 10 10 GLY H H 10 7.995 7.995 8.035 -0.040 18009
738 1 19 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.236 -0.212 18009
739 1 19 . 1 1 11 11 ARG H H 11 7.931 7.931 7.442 0.489 18009
740 1 19 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.358 0.089 18009
741 1 19 . 1 1 12 12 PHE H H 12 8.027 8.027 8.614 -0.587 18009
742 1 19 . 1 1 13 13 LEU HA H 13 4.106 4.106 4.179 -0.073 18009
743 1 19 . 1 1 13 13 LEU H H 13 7.893 7.893 7.891 0.002 18009
744 1 19 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.019 0.113 18009
745 1 19 . 1 1 14 14 LEU H H 14 7.920 7.920 7.654 0.266 18009
746 1 19 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.202 -0.057 18009
747 1 19 . 1 1 15 15 GLN H H 15 8.117 8.117 8.139 -0.022 18009
748 1 19 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.638 -0.471 18009
749 1 19 . 1 1 16 16 ARG H H 16 8.123 8.123 7.875 0.248 18009
750 1 19 . 1 1 17 17 GLY H H 17 8.252 8.252 8.490 -0.238 18009
751 1 19 . 1 1 18 18 SER HA H 18 4.315 4.315 4.718 -0.403 18009
752 1 19 . 1 1 18 18 SER H H 18 8.029 8.029 7.928 0.101 18009
753 1 19 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.790 -0.196 18009
754 1 19 . 1 1 19 19 TRP H H 19 8.159 8.159 7.817 0.342 18009
755 1 19 . 1 1 20 20 THR HA H 20 4.162 4.162 4.544 -0.382 18009
756 1 19 . 1 1 20 20 THR H H 20 7.844 7.844 8.268 -0.424 18009
757 1 19 . 1 1 21 21 GLY H H 21 7.268 7.268 7.117 0.151 18009
758 1 19 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.284 0.003 18009
759 1 19 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.570 -0.403 18009
760 1 19 . 1 1 23 23 ARG H H 23 8.392 8.392 8.293 0.099 18009
761 1 20 . 1 1 2 2 ARG HA H 2 4.263 4.263 4.181 0.082 18009
762 1 20 . 1 1 2 2 ARG H H 2 8.714 8.714 8.573 0.141 18009
763 1 20 . 1 1 3 3 SER HA H 3 4.320 4.320 4.576 -0.256 18009
764 1 20 . 1 1 3 3 SER H H 3 8.369 8.369 8.161 0.208 18009
765 1 20 . 1 1 4 4 SER HA H 4 4.317 4.317 4.449 -0.132 18009
766 1 20 . 1 1 4 4 SER H H 4 8.318 8.318 8.025 0.293 18009
767 1 20 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.327 -0.167 18009
768 1 20 . 1 1 5 5 LEU H H 5 8.125 8.125 7.542 0.583 18009
769 1 20 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.440 -0.333 18009
770 1 20 . 1 1 6 6 ARG H H 6 8.154 8.154 8.121 0.033 18009
771 1 20 . 1 1 7 7 SER HA H 7 4.235 4.235 4.619 -0.384 18009
772 1 20 . 1 1 7 7 SER H H 7 8.091 8.091 7.890 0.201 18009
773 1 20 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.964 0.096 18009
774 1 20 . 1 1 8 8 ARG H H 8 8.166 8.166 8.333 -0.167 18009
775 1 20 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.827 -0.257 18009
776 1 20 . 1 1 9 9 TRP H H 9 7.934 7.934 7.587 0.347 18009
777 1 20 . 1 1 10 10 GLY H H 10 7.995 7.995 8.363 -0.368 18009
778 1 20 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.522 -0.498 18009
779 1 20 . 1 1 11 11 ARG H H 11 7.931 7.931 7.762 0.169 18009
780 1 20 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.244 0.203 18009
781 1 20 . 1 1 12 12 PHE H H 12 8.027 8.027 8.288 -0.261 18009
782 1 20 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.981 0.125 18009
783 1 20 . 1 1 13 13 LEU H H 13 7.893 7.893 7.916 -0.023 18009
784 1 20 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.138 -0.006 18009
785 1 20 . 1 1 14 14 LEU H H 14 7.920 7.920 7.529 0.391 18009
786 1 20 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.231 -0.086 18009
787 1 20 . 1 1 15 15 GLN H H 15 8.117 8.117 8.316 -0.199 18009
788 1 20 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.516 -0.349 18009
789 1 20 . 1 1 16 16 ARG H H 16 8.123 8.123 7.538 0.585 18009
790 1 20 . 1 1 17 17 GLY H H 17 8.252 8.252 8.355 -0.103 18009
791 1 20 . 1 1 18 18 SER HA H 18 4.315 4.315 4.685 -0.370 18009
792 1 20 . 1 1 18 18 SER H H 18 8.029 8.029 7.888 0.141 18009
793 1 20 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.809 -0.215 18009
794 1 20 . 1 1 19 19 TRP H H 19 8.159 8.159 7.820 0.339 18009
795 1 20 . 1 1 20 20 THR HA H 20 4.162 4.162 4.402 -0.240 18009
796 1 20 . 1 1 20 20 THR H H 20 7.844 7.844 7.929 -0.085 18009
797 1 20 . 1 1 21 21 GLY H H 21 7.268 7.268 7.353 -0.085 18009
798 1 20 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.242 0.045 18009
799 1 20 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.538 -0.371 18009
800 1 20 . 1 1 23 23 ARG H H 23 8.392 8.392 7.925 0.467 18009
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 0 0.000 0.000 0.000 18009
2 1 1 "Average Difference" HA 25 0.246 0.165 0.187 18009
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18009
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18009
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18009
6 1 1 "Average Difference" HN 21 0.300 -0.143 0.270 18009
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18009
8 1 2 "Average Difference" HA 25 0.249 0.147 0.205 18009
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18009
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18009
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18009
12 1 2 "Average Difference" HN 21 0.265 -0.096 0.253 18009
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18009
14 1 3 "Average Difference" HA 25 0.276 0.198 0.197 18009
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18009
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18009
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18009
18 1 3 "Average Difference" HN 21 0.283 -0.068 0.282 18009
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18009
20 1 4 "Average Difference" HA 25 0.321 0.226 0.232 18009
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18009
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18009
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18009
24 1 4 "Average Difference" HN 21 0.285 -0.083 0.280 18009
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18009
26 1 5 "Average Difference" HA 25 0.253 0.151 0.206 18009
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18009
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18009
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18009
30 1 5 "Average Difference" HN 21 0.306 -0.024 0.313 18009
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18009
32 1 6 "Average Difference" HA 25 0.266 0.184 0.196 18009
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18009
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18009
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18009
36 1 6 "Average Difference" HN 21 0.268 -0.060 0.268 18009
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18009
38 1 7 "Average Difference" HA 25 0.247 0.170 0.182 18009
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18009
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18009
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18009
42 1 7 "Average Difference" HN 21 0.314 -0.101 0.305 18009
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18009
44 1 8 "Average Difference" HA 25 0.273 0.174 0.215 18009
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18009
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18009
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18009
48 1 8 "Average Difference" HN 21 0.298 -0.126 0.277 18009
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18009
50 1 9 "Average Difference" HA 25 0.255 0.155 0.206 18009
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18009
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18009
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18009
54 1 9 "Average Difference" HN 21 0.271 -0.084 0.264 18009
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18009
56 1 10 "Average Difference" HA 25 0.264 0.150 0.221 18009
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18009
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18009
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18009
60 1 10 "Average Difference" HN 21 0.299 -0.076 0.297 18009
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18009
62 1 11 "Average Difference" HA 25 0.260 0.143 0.222 18009
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18009
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18009
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18009
66 1 11 "Average Difference" HN 21 0.269 -0.108 0.253 18009
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18009
68 1 12 "Average Difference" HA 25 0.280 0.184 0.216 18009
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18009
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18009
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18009
72 1 12 "Average Difference" HN 21 0.295 -0.082 0.290 18009
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18009
74 1 13 "Average Difference" HA 25 0.250 0.189 0.166 18009
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18009
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18009
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18009
78 1 13 "Average Difference" HN 21 0.309 -0.125 0.290 18009
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18009
80 1 14 "Average Difference" HA 25 0.271 0.218 0.164 18009
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18009
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18009
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18009
84 1 14 "Average Difference" HN 21 0.302 -0.036 0.307 18009
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18009
86 1 15 "Average Difference" HA 25 0.266 0.176 0.204 18009
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18009
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18009
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18009
90 1 15 "Average Difference" HN 21 0.327 -0.062 0.329 18009
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18009
92 1 16 "Average Difference" HA 25 0.254 0.145 0.212 18009
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18009
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18009
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18009
96 1 16 "Average Difference" HN 21 0.250 -0.058 0.249 18009
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18009
98 1 17 "Average Difference" HA 25 0.232 0.157 0.174 18009
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18009
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18009
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18009
102 1 17 "Average Difference" HN 21 0.260 -0.045 0.262 18009
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18009
104 1 18 "Average Difference" HA 25 0.282 0.171 0.229 18009
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18009
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18009
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18009
108 1 18 "Average Difference" HN 21 0.297 -0.124 0.276 18009
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18009
110 1 19 "Average Difference" HA 25 0.248 0.162 0.191 18009
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18009
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18009
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18009
114 1 19 "Average Difference" HN 21 0.293 -0.081 0.289 18009
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18009
116 1 20 "Average Difference" HA 25 0.264 0.163 0.212 18009
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18009
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18009
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18009
120 1 20 "Average Difference" HN 21 0.295 -0.124 0.274 18009
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 18009
_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 ARG HA H 2 4.263 4.263 4.470 -0.207 18009
2 1 . 1 1 2 2 ARG H H 2 8.714 8.714 8.422 0.292 18009
3 1 . 1 1 3 3 SER HA H 3 4.320 4.320 4.385 -0.065 18009
4 1 . 1 1 3 3 SER H H 3 8.369 8.369 8.433 -0.064 18009
5 1 . 1 1 4 4 SER HA H 4 4.317 4.317 4.483 -0.166 18009
6 1 . 1 1 4 4 SER H H 4 8.318 8.318 8.146 0.172 18009
7 1 . 1 1 5 5 LEU HA H 5 4.160 4.160 4.478 -0.318 18009
8 1 . 1 1 5 5 LEU H H 5 8.125 8.125 7.425 0.701 18009
9 1 . 1 1 6 6 ARG HA H 6 4.107 4.107 4.434 -0.327 18009
10 1 . 1 1 6 6 ARG H H 6 8.154 8.154 8.135 0.019 18009
11 1 . 1 1 7 7 SER HA H 7 4.235 4.235 4.630 -0.395 18009
12 1 . 1 1 7 7 SER H H 7 8.091 8.091 7.940 0.151 18009
13 1 . 1 1 8 8 ARG HA H 8 4.060 4.060 3.973 0.087 18009
14 1 . 1 1 8 8 ARG H H 8 8.166 8.166 8.202 -0.036 18009
15 1 . 1 1 9 9 TRP HA H 9 4.570 4.570 4.788 -0.218 18009
16 1 . 1 1 9 9 TRP H H 9 7.934 7.934 7.557 0.377 18009
17 1 . 1 1 10 10 GLY H H 10 7.995 7.995 8.295 -0.300 18009
18 1 . 1 1 11 11 ARG HA H 11 4.024 4.024 4.361 -0.336 18009
19 1 . 1 1 11 11 ARG H H 11 7.931 7.931 7.778 0.153 18009
20 1 . 1 1 12 12 PHE HA H 12 4.447 4.447 4.239 0.208 18009
21 1 . 1 1 12 12 PHE H H 12 8.027 8.027 8.115 -0.088 18009
22 1 . 1 1 13 13 LEU HA H 13 4.106 4.106 3.978 0.128 18009
23 1 . 1 1 13 13 LEU H H 13 7.893 7.893 7.771 0.122 18009
24 1 . 1 1 14 14 LEU HA H 14 4.132 4.132 4.093 0.039 18009
25 1 . 1 1 14 14 LEU H H 14 7.920 7.920 7.825 0.095 18009
26 1 . 1 1 15 15 GLN HA H 15 4.145 4.145 4.228 -0.083 18009
27 1 . 1 1 15 15 GLN H H 15 8.117 8.117 8.190 -0.073 18009
28 1 . 1 1 16 16 ARG HA H 16 4.167 4.167 4.602 -0.435 18009
29 1 . 1 1 16 16 ARG H H 16 8.123 8.123 7.827 0.296 18009
30 1 . 1 1 17 17 GLY H H 17 8.252 8.252 8.418 -0.166 18009
31 1 . 1 1 18 18 SER HA H 18 4.315 4.315 4.655 -0.340 18009
32 1 . 1 1 18 18 SER H H 18 8.029 8.029 7.994 0.035 18009
33 1 . 1 1 19 19 TRP HA H 19 4.594 4.594 4.789 -0.195 18009
34 1 . 1 1 19 19 TRP H H 19 8.159 8.159 7.830 0.329 18009
35 1 . 1 1 20 20 THR HA H 20 4.162 4.162 4.472 -0.310 18009
36 1 . 1 1 20 20 THR H H 20 7.844 7.844 8.105 -0.261 18009
37 1 . 1 1 21 21 GLY H H 21 7.268 7.268 7.273 -0.005 18009
38 1 . 1 1 22 22 PRO HA H 22 4.287 4.287 4.350 -0.063 18009
39 1 . 1 1 23 23 ARG HA H 23 4.167 4.167 4.394 -0.227 18009
40 1 . 1 1 23 23 ARG H H 23 8.392 8.392 8.346 0.046 18009
stop_
save_