data_25268
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25268
_Entry.PDB_ID 2MVH
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 25268
_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 LYS HA H 2 4.400 4.400 4.226 0.174 25268
2 1 1 . 1 1 2 2 LYS CA C 2 56.200 56.200 57.616 -1.416 25268
3 1 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.157 0.143 25268
4 1 1 . 1 1 3 3 PHE N N 3 120.647 120.647 116.327 4.320 25268
5 1 1 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.337 0.217 25268
6 1 1 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.882 1.198 25268
7 1 1 . 1 1 3 3 PHE CB C 3 40.155 40.155 40.206 -0.051 25268
8 1 1 . 1 1 3 3 PHE H H 3 8.333 8.333 7.479 0.854 25268
9 1 1 . 1 1 4 4 TYR N N 4 119.545 119.545 122.988 -3.443 25268
10 1 1 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.443 0.041 25268
11 1 1 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.562 0.538 25268
12 1 1 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.478 0.222 25268
13 1 1 . 1 1 4 4 TYR H H 4 7.835 7.835 7.294 0.541 25268
14 1 1 . 1 1 5 5 THR N N 5 113.849 113.849 116.675 -2.826 25268
15 1 1 . 1 1 5 5 THR HA H 5 4.327 4.327 4.238 0.089 25268
16 1 1 . 1 1 5 5 THR CA C 5 62.200 62.200 63.535 -1.335 25268
17 1 1 . 1 1 5 5 THR CB C 5 69.500 69.500 69.240 0.260 25268
18 1 1 . 1 1 5 5 THR H H 5 7.921 7.921 8.492 -0.571 25268
19 1 1 . 1 1 6 6 ILE N N 6 121.812 121.812 121.294 0.518 25268
20 1 1 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.142 0.100 25268
21 1 1 . 1 1 6 6 ILE CA C 6 60.900 60.900 61.728 -0.828 25268
22 1 1 . 1 1 6 6 ILE CB C 6 39.278 39.278 39.059 0.219 25268
23 1 1 . 1 1 6 6 ILE H H 6 7.877 7.877 7.557 0.320 25268
24 1 1 . 1 1 7 7 LYS N N 7 124.588 124.588 125.568 -0.980 25268
25 1 1 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.401 0.065 25268
26 1 1 . 1 1 7 7 LYS CA C 7 56.200 56.200 55.867 0.333 25268
27 1 1 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.619 1.681 25268
28 1 1 . 1 1 7 7 LYS H H 7 8.210 8.210 8.454 -0.244 25268
29 1 1 . 1 1 8 8 LEU N N 8 123.110 123.110 118.082 5.028 25268
30 1 1 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.431 0.077 25268
31 1 1 . 1 1 8 8 LEU CA C 8 54.900 54.900 55.165 -0.265 25268
32 1 1 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.489 1.311 25268
33 1 1 . 1 1 8 8 LEU H H 8 8.421 8.421 7.388 1.033 25268
34 1 1 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.569 -0.118 25268
35 1 1 . 1 1 9 9 PRO CA C 9 63.800 63.800 64.348 -0.548 25268
36 1 1 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.896 -0.996 25268
37 1 1 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.370 -0.271 25268
38 1 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.220 2.980 25268
39 1 1 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.747 0.653 25268
40 1 1 . 1 1 11 11 PHE N N 11 117.741 117.741 123.702 -5.961 25268
41 1 1 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.042 0.531 25268
42 1 1 . 1 1 11 11 PHE CA C 11 59.646 59.646 60.971 -1.325 25268
43 1 1 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.780 -0.080 25268
44 1 1 . 1 1 11 11 PHE H H 11 8.385 8.385 8.202 0.183 25268
45 1 1 . 1 1 12 12 LEU N N 12 118.903 118.903 118.678 0.225 25268
46 1 1 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.060 -0.015 25268
47 1 1 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.587 -0.652 25268
48 1 1 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.506 1.652 25268
49 1 1 . 1 1 12 12 LEU H H 12 7.717 7.717 8.095 -0.378 25268
50 1 1 . 1 1 13 13 GLY N N 13 106.373 106.373 107.531 -1.158 25268
51 1 1 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.169 0.375 25268
52 1 1 . 1 1 13 13 GLY H H 13 8.402 8.402 8.143 0.259 25268
53 1 1 . 1 1 14 14 GLY N N 14 108.291 108.291 109.270 -0.979 25268
54 1 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.863 1.137 25268
55 1 1 . 1 1 14 14 GLY H H 14 8.110 8.110 8.206 -0.096 25268
56 1 1 . 1 1 15 15 ILE N N 15 121.990 121.990 122.225 -0.235 25268
57 1 1 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.715 0.146 25268
58 1 1 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.620 -0.050 25268
59 1 1 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.094 -0.243 25268
60 1 1 . 1 1 15 15 ILE H H 15 7.723 7.723 7.754 -0.031 25268
61 1 1 . 1 1 16 16 VAL N N 16 119.530 119.530 119.883 -0.353 25268
62 1 1 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.570 0.042 25268
63 1 1 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.115 1.085 25268
64 1 1 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.553 -0.211 25268
65 1 1 . 1 1 16 16 VAL H H 16 8.049 8.049 8.415 -0.366 25268
66 1 1 . 1 1 17 17 ARG N N 17 118.293 118.293 118.347 -0.054 25268
67 1 1 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.090 -0.128 25268
68 1 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.752 1.347 25268
69 1 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.359 0.741 25268
70 1 1 . 1 1 17 17 ARG H H 17 8.247 8.247 7.754 0.493 25268
71 1 1 . 1 1 18 18 ALA N N 18 121.103 121.103 123.576 -2.473 25268
72 1 1 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.111 0.115 25268
73 1 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.984 -0.284 25268
74 1 1 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.061 0.245 25268
75 1 1 . 1 1 18 18 ALA H H 18 7.874 7.874 7.977 -0.103 25268
76 1 1 . 1 1 19 19 MET N N 19 116.847 116.847 117.422 -0.575 25268
77 1 1 . 1 1 19 19 MET HA H 19 4.192 4.192 4.126 0.066 25268
78 1 1 . 1 1 19 19 MET CA C 19 58.650 58.650 57.920 0.730 25268
79 1 1 . 1 1 19 19 MET CB C 19 33.413 33.413 31.660 1.754 25268
80 1 1 . 1 1 19 19 MET H H 19 8.174 8.174 7.729 0.445 25268
81 1 1 . 1 1 20 20 LEU N N 20 117.531 117.531 118.852 -1.321 25268
82 1 1 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.078 0.193 25268
83 1 1 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.544 -0.666 25268
84 1 1 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.246 0.654 25268
85 1 1 . 1 1 20 20 LEU H H 20 8.178 8.178 8.139 0.039 25268
86 1 1 . 1 1 21 21 GLY N N 21 105.942 105.942 105.849 0.093 25268
87 1 1 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.156 -0.756 25268
88 1 1 . 1 1 21 21 GLY H H 21 8.006 8.006 8.637 -0.631 25268
89 1 1 . 1 1 22 22 SER N N 22 115.031 115.031 115.226 -0.195 25268
90 1 1 . 1 1 22 22 SER HA H 22 4.273 4.273 4.494 -0.221 25268
91 1 1 . 1 1 22 22 SER CA C 22 59.500 59.500 59.994 -0.494 25268
92 1 1 . 1 1 22 22 SER CB C 22 63.580 63.580 63.801 -0.221 25268
93 1 1 . 1 1 22 22 SER H H 22 7.859 7.859 7.731 0.128 25268
94 1 1 . 1 1 23 23 PHE N N 23 119.803 119.803 122.133 -2.330 25268
95 1 1 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.308 0.313 25268
96 1 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.131 -2.031 25268
97 1 1 . 1 1 23 23 PHE CB C 23 39.670 39.670 40.070 -0.400 25268
98 1 1 . 1 1 23 23 PHE H H 23 7.837 7.837 7.702 0.135 25268
99 1 1 . 1 1 24 24 ARG N N 24 120.811 120.811 117.922 2.889 25268
100 1 1 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.948 0.418 25268
101 1 1 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.367 -0.387 25268
102 1 1 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.945 3.207 25268
103 1 1 . 1 1 24 24 ARG H H 24 7.886 7.886 8.261 -0.375 25268
104 1 1 . 1 1 25 25 LYS N N 25 123.162 123.162 121.141 2.021 25268
105 1 1 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.068 0.332 25268
106 1 1 . 1 1 25 25 LYS CA C 25 56.200 56.200 58.411 -2.211 25268
107 1 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.155 0.145 25268
108 1 1 . 1 1 25 25 LYS H H 25 8.359 8.359 8.649 -0.290 25268
109 1 2 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.719 -0.319 25268
110 1 2 . 1 1 2 2 LYS CA C 2 56.200 56.200 55.625 0.575 25268
111 1 2 . 1 1 2 2 LYS CB C 2 33.300 33.300 34.791 -1.491 25268
112 1 2 . 1 1 3 3 PHE N N 3 120.647 120.647 122.455 -1.808 25268
113 1 2 . 1 1 3 3 PHE HA H 3 4.554 4.554 5.057 -0.503 25268
114 1 2 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.881 0.199 25268
115 1 2 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.300 0.855 25268
116 1 2 . 1 1 3 3 PHE H H 3 8.333 8.333 8.481 -0.148 25268
117 1 2 . 1 1 4 4 TYR N N 4 119.545 119.545 115.238 4.307 25268
118 1 2 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.951 -0.467 25268
119 1 2 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.898 1.202 25268
120 1 2 . 1 1 4 4 TYR CB C 4 38.700 38.700 40.973 -2.273 25268
121 1 2 . 1 1 4 4 TYR H H 4 7.835 7.835 8.745 -0.910 25268
122 1 2 . 1 1 5 5 THR N N 5 113.849 113.849 111.784 2.065 25268
123 1 2 . 1 1 5 5 THR HA H 5 4.327 4.327 4.595 -0.268 25268
124 1 2 . 1 1 5 5 THR CA C 5 62.200 62.200 61.822 0.378 25268
125 1 2 . 1 1 5 5 THR CB C 5 69.500 69.500 69.443 0.057 25268
126 1 2 . 1 1 5 5 THR H H 5 7.921 7.921 8.463 -0.542 25268
127 1 2 . 1 1 6 6 ILE N N 6 121.812 121.812 122.969 -1.157 25268
128 1 2 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.138 0.104 25268
129 1 2 . 1 1 6 6 ILE CA C 6 60.900 60.900 61.451 -0.551 25268
130 1 2 . 1 1 6 6 ILE CB C 6 39.278 39.278 38.714 0.564 25268
131 1 2 . 1 1 6 6 ILE H H 6 7.877 7.877 7.874 0.003 25268
132 1 2 . 1 1 7 7 LYS N N 7 124.588 124.588 123.689 0.899 25268
133 1 2 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.377 0.089 25268
134 1 2 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.254 -0.054 25268
135 1 2 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.867 1.433 25268
136 1 2 . 1 1 7 7 LYS H H 7 8.210 8.210 8.410 -0.200 25268
137 1 2 . 1 1 8 8 LEU N N 8 123.110 123.110 118.749 4.361 25268
138 1 2 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.390 0.118 25268
139 1 2 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.751 1.149 25268
140 1 2 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.727 1.073 25268
141 1 2 . 1 1 8 8 LEU H H 8 8.421 8.421 7.348 1.073 25268
142 1 2 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.569 -0.118 25268
143 1 2 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.113 1.687 25268
144 1 2 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.457 1.443 25268
145 1 2 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.706 0.393 25268
146 1 2 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.671 2.529 25268
147 1 2 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.066 1.334 25268
148 1 2 . 1 1 11 11 PHE N N 11 117.741 117.741 119.952 -2.211 25268
149 1 2 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.108 0.465 25268
150 1 2 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.576 -1.930 25268
151 1 2 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.977 -0.277 25268
152 1 2 . 1 1 11 11 PHE H H 11 8.385 8.385 8.197 0.188 25268
153 1 2 . 1 1 12 12 LEU N N 12 118.903 118.903 119.107 -0.204 25268
154 1 2 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.275 -0.230 25268
155 1 2 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.716 -0.781 25268
156 1 2 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.973 1.185 25268
157 1 2 . 1 1 12 12 LEU H H 12 7.717 7.717 8.311 -0.594 25268
158 1 2 . 1 1 13 13 GLY N N 13 106.373 106.373 107.349 -0.976 25268
159 1 2 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.175 0.369 25268
160 1 2 . 1 1 13 13 GLY H H 13 8.402 8.402 8.435 -0.033 25268
161 1 2 . 1 1 14 14 GLY N N 14 108.291 108.291 109.239 -0.948 25268
162 1 2 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.723 1.277 25268
163 1 2 . 1 1 14 14 GLY H H 14 8.110 8.110 7.736 0.374 25268
164 1 2 . 1 1 15 15 ILE N N 15 121.990 121.990 122.190 -0.200 25268
165 1 2 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.801 0.060 25268
166 1 2 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.814 -0.244 25268
167 1 2 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.213 -0.362 25268
168 1 2 . 1 1 15 15 ILE H H 15 7.723 7.723 7.779 -0.056 25268
169 1 2 . 1 1 16 16 VAL N N 16 119.530 119.530 119.951 -0.421 25268
170 1 2 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.710 -0.098 25268
171 1 2 . 1 1 16 16 VAL CA C 16 67.200 67.200 65.992 1.208 25268
172 1 2 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.310 0.032 25268
173 1 2 . 1 1 16 16 VAL H H 16 8.049 8.049 8.512 -0.463 25268
174 1 2 . 1 1 17 17 ARG N N 17 118.293 118.293 120.034 -1.741 25268
175 1 2 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.060 -0.098 25268
176 1 2 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.992 1.108 25268
177 1 2 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.319 0.781 25268
178 1 2 . 1 1 17 17 ARG H H 17 8.247 8.247 7.963 0.284 25268
179 1 2 . 1 1 18 18 ALA N N 18 121.103 121.103 122.326 -1.223 25268
180 1 2 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.086 0.140 25268
181 1 2 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.994 -0.294 25268
182 1 2 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.128 0.177 25268
183 1 2 . 1 1 18 18 ALA H H 18 7.874 7.874 7.785 0.089 25268
184 1 2 . 1 1 19 19 MET N N 19 116.847 116.847 117.220 -0.373 25268
185 1 2 . 1 1 19 19 MET HA H 19 4.192 4.192 4.163 0.029 25268
186 1 2 . 1 1 19 19 MET CA C 19 58.650 58.650 57.728 0.922 25268
187 1 2 . 1 1 19 19 MET CB C 19 33.413 33.413 31.631 1.782 25268
188 1 2 . 1 1 19 19 MET H H 19 8.174 8.174 7.635 0.539 25268
189 1 2 . 1 1 20 20 LEU N N 20 117.531 117.531 119.697 -2.166 25268
190 1 2 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.091 0.180 25268
191 1 2 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.639 -0.761 25268
192 1 2 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.276 0.625 25268
193 1 2 . 1 1 20 20 LEU H H 20 8.178 8.178 8.308 -0.130 25268
194 1 2 . 1 1 21 21 GLY N N 21 105.942 105.942 106.011 -0.069 25268
195 1 2 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.451 -1.051 25268
196 1 2 . 1 1 21 21 GLY H H 21 8.006 8.006 8.532 -0.526 25268
197 1 2 . 1 1 22 22 SER N N 22 115.031 115.031 117.110 -2.079 25268
198 1 2 . 1 1 22 22 SER HA H 22 4.273 4.273 4.333 -0.060 25268
199 1 2 . 1 1 22 22 SER CA C 22 59.500 59.500 61.092 -1.592 25268
200 1 2 . 1 1 22 22 SER CB C 22 63.580 63.580 63.194 0.386 25268
201 1 2 . 1 1 22 22 SER H H 22 7.859 7.859 7.582 0.277 25268
202 1 2 . 1 1 23 23 PHE N N 23 119.803 119.803 121.812 -2.009 25268
203 1 2 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.270 0.351 25268
204 1 2 . 1 1 23 23 PHE CA C 23 58.100 58.100 59.886 -1.786 25268
205 1 2 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.856 -0.186 25268
206 1 2 . 1 1 23 23 PHE H H 23 7.837 7.837 8.202 -0.365 25268
207 1 2 . 1 1 24 24 ARG N N 24 120.811 120.811 117.205 3.606 25268
208 1 2 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.940 0.426 25268
209 1 2 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.608 -0.628 25268
210 1 2 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.871 3.281 25268
211 1 2 . 1 1 24 24 ARG H H 24 7.886 7.886 8.118 -0.232 25268
212 1 2 . 1 1 25 25 LYS N N 25 123.162 123.162 120.696 2.466 25268
213 1 2 . 1 1 25 25 LYS HA H 25 4.400 4.400 3.880 0.520 25268
214 1 2 . 1 1 25 25 LYS CA C 25 56.200 56.200 55.970 0.230 25268
215 1 2 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.742 0.558 25268
216 1 2 . 1 1 25 25 LYS H H 25 8.359 8.359 7.431 0.928 25268
217 1 3 . 1 1 2 2 LYS HA H 2 4.400 4.400 3.994 0.406 25268
218 1 3 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.012 0.188 25268
219 1 3 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.546 0.754 25268
220 1 3 . 1 1 3 3 PHE N N 3 120.647 120.647 125.719 -5.072 25268
221 1 3 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.034 0.520 25268
222 1 3 . 1 1 3 3 PHE CA C 3 58.080 58.080 60.074 -1.994 25268
223 1 3 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.987 1.168 25268
224 1 3 . 1 1 3 3 PHE H H 3 8.333 8.333 8.593 -0.260 25268
225 1 3 . 1 1 4 4 TYR N N 4 119.545 119.545 116.333 3.212 25268
226 1 3 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.488 -0.004 25268
227 1 3 . 1 1 4 4 TYR CA C 4 58.100 58.100 58.594 -0.494 25268
228 1 3 . 1 1 4 4 TYR CB C 4 38.700 38.700 37.366 1.334 25268
229 1 3 . 1 1 4 4 TYR H H 4 7.835 7.835 7.077 0.758 25268
230 1 3 . 1 1 5 5 THR N N 5 113.849 113.849 108.774 5.075 25268
231 1 3 . 1 1 5 5 THR HA H 5 4.327 4.327 3.987 0.340 25268
232 1 3 . 1 1 5 5 THR CA C 5 62.200 62.200 62.734 -0.534 25268
233 1 3 . 1 1 5 5 THR CB C 5 69.500 69.500 68.222 1.278 25268
234 1 3 . 1 1 5 5 THR H H 5 7.921 7.921 7.963 -0.042 25268
235 1 3 . 1 1 6 6 ILE N N 6 121.812 121.812 120.396 1.416 25268
236 1 3 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.328 -0.086 25268
237 1 3 . 1 1 6 6 ILE CA C 6 60.900 60.900 59.972 0.928 25268
238 1 3 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.065 -0.787 25268
239 1 3 . 1 1 6 6 ILE H H 6 7.877 7.877 7.871 0.006 25268
240 1 3 . 1 1 7 7 LYS N N 7 124.588 124.588 124.506 0.082 25268
241 1 3 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.313 0.153 25268
242 1 3 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.521 -0.321 25268
243 1 3 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.863 1.437 25268
244 1 3 . 1 1 7 7 LYS H H 7 8.210 8.210 8.474 -0.264 25268
245 1 3 . 1 1 8 8 LEU N N 8 123.110 123.110 118.563 4.547 25268
246 1 3 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.431 0.077 25268
247 1 3 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.538 1.362 25268
248 1 3 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.821 0.979 25268
249 1 3 . 1 1 8 8 LEU H H 8 8.421 8.421 7.324 1.097 25268
250 1 3 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.560 -0.109 25268
251 1 3 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.138 1.662 25268
252 1 3 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.447 1.453 25268
253 1 3 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.758 0.341 25268
254 1 3 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.696 2.504 25268
255 1 3 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.048 1.352 25268
256 1 3 . 1 1 11 11 PHE N N 11 117.741 117.741 120.009 -2.268 25268
257 1 3 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.118 0.455 25268
258 1 3 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.487 -1.841 25268
259 1 3 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.007 -0.307 25268
260 1 3 . 1 1 11 11 PHE H H 11 8.385 8.385 8.215 0.170 25268
261 1 3 . 1 1 12 12 LEU N N 12 118.903 118.903 119.152 -0.249 25268
262 1 3 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.261 -0.216 25268
263 1 3 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.766 -0.831 25268
264 1 3 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.953 1.205 25268
265 1 3 . 1 1 12 12 LEU H H 12 7.717 7.717 8.446 -0.729 25268
266 1 3 . 1 1 13 13 GLY N N 13 106.373 106.373 107.373 -1.000 25268
267 1 3 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.153 0.391 25268
268 1 3 . 1 1 13 13 GLY H H 13 8.402 8.402 8.456 -0.054 25268
269 1 3 . 1 1 14 14 GLY N N 14 108.291 108.291 109.313 -1.022 25268
270 1 3 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.806 1.194 25268
271 1 3 . 1 1 14 14 GLY H H 14 8.110 8.110 7.834 0.276 25268
272 1 3 . 1 1 15 15 ILE N N 15 121.990 121.990 122.493 -0.503 25268
273 1 3 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.817 0.044 25268
274 1 3 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.429 0.141 25268
275 1 3 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.173 -0.322 25268
276 1 3 . 1 1 15 15 ILE H H 15 7.723 7.723 7.954 -0.231 25268
277 1 3 . 1 1 16 16 VAL N N 16 119.530 119.530 120.383 -0.853 25268
278 1 3 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.541 0.071 25268
279 1 3 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.210 0.989 25268
280 1 3 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.389 -0.047 25268
281 1 3 . 1 1 16 16 VAL H H 16 8.049 8.049 8.458 -0.409 25268
282 1 3 . 1 1 17 17 ARG N N 17 118.293 118.293 118.608 -0.315 25268
283 1 3 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.035 -0.073 25268
284 1 3 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.616 0.484 25268
285 1 3 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.625 0.475 25268
286 1 3 . 1 1 17 17 ARG H H 17 8.247 8.247 8.191 0.056 25268
287 1 3 . 1 1 18 18 ALA N N 18 121.103 121.103 123.533 -2.430 25268
288 1 3 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.101 0.125 25268
289 1 3 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.980 -0.280 25268
290 1 3 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.166 0.140 25268
291 1 3 . 1 1 18 18 ALA H H 18 7.874 7.874 7.913 -0.039 25268
292 1 3 . 1 1 19 19 MET N N 19 116.847 116.847 117.534 -0.687 25268
293 1 3 . 1 1 19 19 MET HA H 19 4.192 4.192 4.147 0.045 25268
294 1 3 . 1 1 19 19 MET CA C 19 58.650 58.650 58.047 0.603 25268
295 1 3 . 1 1 19 19 MET CB C 19 33.413 33.413 31.642 1.771 25268
296 1 3 . 1 1 19 19 MET H H 19 8.174 8.174 7.751 0.423 25268
297 1 3 . 1 1 20 20 LEU N N 20 117.531 117.531 119.170 -1.639 25268
298 1 3 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.082 0.189 25268
299 1 3 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.727 -0.850 25268
300 1 3 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.231 0.669 25268
301 1 3 . 1 1 20 20 LEU H H 20 8.178 8.178 8.205 -0.027 25268
302 1 3 . 1 1 21 21 GLY N N 21 105.942 105.942 105.848 0.094 25268
303 1 3 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.179 -0.779 25268
304 1 3 . 1 1 21 21 GLY H H 21 8.006 8.006 8.639 -0.633 25268
305 1 3 . 1 1 22 22 SER N N 22 115.031 115.031 115.740 -0.709 25268
306 1 3 . 1 1 22 22 SER HA H 22 4.273 4.273 4.416 -0.143 25268
307 1 3 . 1 1 22 22 SER CA C 22 59.500 59.500 60.316 -0.816 25268
308 1 3 . 1 1 22 22 SER CB C 22 63.580 63.580 63.740 -0.160 25268
309 1 3 . 1 1 22 22 SER H H 22 7.859 7.859 7.611 0.248 25268
310 1 3 . 1 1 23 23 PHE N N 23 119.803 119.803 122.274 -2.471 25268
311 1 3 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.168 0.453 25268
312 1 3 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.452 -2.352 25268
313 1 3 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.615 0.055 25268
314 1 3 . 1 1 23 23 PHE H H 23 7.837 7.837 8.126 -0.289 25268
315 1 3 . 1 1 24 24 ARG N N 24 120.811 120.811 117.255 3.556 25268
316 1 3 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.997 0.369 25268
317 1 3 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.172 -1.192 25268
318 1 3 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.277 1.875 25268
319 1 3 . 1 1 24 24 ARG H H 24 7.886 7.886 8.366 -0.480 25268
320 1 3 . 1 1 25 25 LYS N N 25 123.162 123.162 117.308 5.854 25268
321 1 3 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.083 0.317 25268
322 1 3 . 1 1 25 25 LYS CA C 25 56.200 56.200 57.131 -0.931 25268
323 1 3 . 1 1 25 25 LYS CB C 25 33.300 33.300 31.982 1.318 25268
324 1 3 . 1 1 25 25 LYS H H 25 8.359 8.359 8.366 -0.007 25268
325 1 4 . 1 1 2 2 LYS HA H 2 4.400 4.400 3.867 0.533 25268
326 1 4 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.316 -0.116 25268
327 1 4 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.047 1.253 25268
328 1 4 . 1 1 3 3 PHE N N 3 120.647 120.647 118.949 1.698 25268
329 1 4 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.571 -0.017 25268
330 1 4 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.889 1.191 25268
331 1 4 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.380 1.775 25268
332 1 4 . 1 1 3 3 PHE H H 3 8.333 8.333 8.186 0.147 25268
333 1 4 . 1 1 4 4 TYR N N 4 119.545 119.545 126.461 -6.916 25268
334 1 4 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.214 0.270 25268
335 1 4 . 1 1 4 4 TYR CA C 4 58.100 58.100 59.498 -1.398 25268
336 1 4 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.081 0.619 25268
337 1 4 . 1 1 4 4 TYR H H 4 7.835 7.835 8.657 -0.822 25268
338 1 4 . 1 1 5 5 THR N N 5 113.849 113.849 110.145 3.704 25268
339 1 4 . 1 1 5 5 THR HA H 5 4.327 4.327 4.024 0.303 25268
340 1 4 . 1 1 5 5 THR CA C 5 62.200 62.200 62.997 -0.797 25268
341 1 4 . 1 1 5 5 THR CB C 5 69.500 69.500 68.000 1.500 25268
342 1 4 . 1 1 5 5 THR H H 5 7.921 7.921 8.402 -0.481 25268
343 1 4 . 1 1 6 6 ILE N N 6 121.812 121.812 120.329 1.483 25268
344 1 4 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.262 -0.020 25268
345 1 4 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.282 0.618 25268
346 1 4 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.207 -0.929 25268
347 1 4 . 1 1 6 6 ILE H H 6 7.877 7.877 7.710 0.167 25268
348 1 4 . 1 1 7 7 LYS N N 7 124.588 124.588 127.989 -3.401 25268
349 1 4 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.243 0.223 25268
350 1 4 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.412 -0.212 25268
351 1 4 . 1 1 7 7 LYS CB C 7 33.300 33.300 30.779 2.521 25268
352 1 4 . 1 1 7 7 LYS H H 7 8.210 8.210 8.638 -0.428 25268
353 1 4 . 1 1 8 8 LEU N N 8 123.110 123.110 119.697 3.413 25268
354 1 4 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.521 -0.013 25268
355 1 4 . 1 1 8 8 LEU CA C 8 54.900 54.900 52.833 2.067 25268
356 1 4 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.691 1.109 25268
357 1 4 . 1 1 8 8 LEU H H 8 8.421 8.421 7.706 0.715 25268
358 1 4 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.553 -0.102 25268
359 1 4 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.040 1.760 25268
360 1 4 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.831 1.069 25268
361 1 4 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.773 0.326 25268
362 1 4 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.724 2.476 25268
363 1 4 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.975 1.425 25268
364 1 4 . 1 1 11 11 PHE N N 11 117.741 117.741 119.890 -2.149 25268
365 1 4 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.203 0.370 25268
366 1 4 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.687 -2.041 25268
367 1 4 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.107 -0.407 25268
368 1 4 . 1 1 11 11 PHE H H 11 8.385 8.385 8.210 0.175 25268
369 1 4 . 1 1 12 12 LEU N N 12 118.903 118.903 119.174 -0.271 25268
370 1 4 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.231 -0.186 25268
371 1 4 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.709 -0.774 25268
372 1 4 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.944 1.214 25268
373 1 4 . 1 1 12 12 LEU H H 12 7.717 7.717 8.418 -0.701 25268
374 1 4 . 1 1 13 13 GLY N N 13 106.373 106.373 107.616 -1.243 25268
375 1 4 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.276 0.268 25268
376 1 4 . 1 1 13 13 GLY H H 13 8.402 8.402 8.424 -0.022 25268
377 1 4 . 1 1 14 14 GLY N N 14 108.291 108.291 109.118 -0.827 25268
378 1 4 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.763 1.237 25268
379 1 4 . 1 1 14 14 GLY H H 14 8.110 8.110 7.488 0.622 25268
380 1 4 . 1 1 15 15 ILE N N 15 121.990 121.990 122.328 -0.338 25268
381 1 4 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.685 0.176 25268
382 1 4 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.733 -0.163 25268
383 1 4 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.077 -0.225 25268
384 1 4 . 1 1 15 15 ILE H H 15 7.723 7.723 7.597 0.126 25268
385 1 4 . 1 1 16 16 VAL N N 16 119.530 119.530 119.804 -0.274 25268
386 1 4 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.600 0.011 25268
387 1 4 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.106 1.094 25268
388 1 4 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.564 -0.222 25268
389 1 4 . 1 1 16 16 VAL H H 16 8.049 8.049 8.476 -0.427 25268
390 1 4 . 1 1 17 17 ARG N N 17 118.293 118.293 118.333 -0.040 25268
391 1 4 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.071 -0.109 25268
392 1 4 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.906 1.194 25268
393 1 4 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.346 0.754 25268
394 1 4 . 1 1 17 17 ARG H H 17 8.247 8.247 7.939 0.308 25268
395 1 4 . 1 1 18 18 ALA N N 18 121.103 121.103 123.390 -2.287 25268
396 1 4 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.114 0.112 25268
397 1 4 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.963 -0.263 25268
398 1 4 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.061 0.245 25268
399 1 4 . 1 1 18 18 ALA H H 18 7.874 7.874 7.905 -0.031 25268
400 1 4 . 1 1 19 19 MET N N 19 116.847 116.847 117.543 -0.696 25268
401 1 4 . 1 1 19 19 MET HA H 19 4.192 4.192 4.147 0.045 25268
402 1 4 . 1 1 19 19 MET CA C 19 58.650 58.650 57.892 0.758 25268
403 1 4 . 1 1 19 19 MET CB C 19 33.413 33.413 31.640 1.773 25268
404 1 4 . 1 1 19 19 MET H H 19 8.174 8.174 7.725 0.449 25268
405 1 4 . 1 1 20 20 LEU N N 20 117.531 117.531 119.057 -1.526 25268
406 1 4 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.032 0.239 25268
407 1 4 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.549 -0.671 25268
408 1 4 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.231 0.669 25268
409 1 4 . 1 1 20 20 LEU H H 20 8.178 8.178 8.130 0.048 25268
410 1 4 . 1 1 21 21 GLY N N 21 105.942 105.942 105.962 -0.020 25268
411 1 4 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.122 -0.722 25268
412 1 4 . 1 1 21 21 GLY H H 21 8.006 8.006 8.356 -0.350 25268
413 1 4 . 1 1 22 22 SER N N 22 115.031 115.031 115.733 -0.702 25268
414 1 4 . 1 1 22 22 SER HA H 22 4.273 4.273 4.283 -0.010 25268
415 1 4 . 1 1 22 22 SER CA C 22 59.500 59.500 60.881 -1.381 25268
416 1 4 . 1 1 22 22 SER CB C 22 63.580 63.580 63.392 0.188 25268
417 1 4 . 1 1 22 22 SER H H 22 7.859 7.859 7.619 0.240 25268
418 1 4 . 1 1 23 23 PHE N N 23 119.803 119.803 120.926 -1.123 25268
419 1 4 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.247 0.374 25268
420 1 4 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.693 -2.593 25268
421 1 4 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.611 0.058 25268
422 1 4 . 1 1 23 23 PHE H H 23 7.837 7.837 7.719 0.118 25268
423 1 4 . 1 1 24 24 ARG N N 24 120.811 120.811 119.068 1.743 25268
424 1 4 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.412 -0.046 25268
425 1 4 . 1 1 24 24 ARG CA C 24 55.980 55.980 55.389 0.591 25268
426 1 4 . 1 1 24 24 ARG CB C 24 31.152 31.152 30.863 0.289 25268
427 1 4 . 1 1 24 24 ARG H H 24 7.886 7.886 7.828 0.058 25268
428 1 4 . 1 1 25 25 LYS N N 25 123.162 123.162 120.026 3.136 25268
429 1 4 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.076 0.324 25268
430 1 4 . 1 1 25 25 LYS CA C 25 56.200 56.200 58.181 -1.981 25268
431 1 4 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.359 0.941 25268
432 1 4 . 1 1 25 25 LYS H H 25 8.359 8.359 8.738 -0.379 25268
433 1 5 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.130 0.270 25268
434 1 5 . 1 1 2 2 LYS CA C 2 56.200 56.200 58.027 -1.827 25268
435 1 5 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.426 0.874 25268
436 1 5 . 1 1 3 3 PHE N N 3 120.647 120.647 117.223 3.424 25268
437 1 5 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.601 -0.047 25268
438 1 5 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.633 1.447 25268
439 1 5 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.254 0.901 25268
440 1 5 . 1 1 3 3 PHE H H 3 8.333 8.333 7.334 0.999 25268
441 1 5 . 1 1 4 4 TYR N N 4 119.545 119.545 115.101 4.444 25268
442 1 5 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.994 -0.510 25268
443 1 5 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.823 1.277 25268
444 1 5 . 1 1 4 4 TYR CB C 4 38.700 38.700 40.727 -2.027 25268
445 1 5 . 1 1 4 4 TYR H H 4 7.835 7.835 8.620 -0.785 25268
446 1 5 . 1 1 5 5 THR N N 5 113.849 113.849 113.034 0.815 25268
447 1 5 . 1 1 5 5 THR HA H 5 4.327 4.327 4.552 -0.225 25268
448 1 5 . 1 1 5 5 THR CA C 5 62.200 62.200 62.034 0.166 25268
449 1 5 . 1 1 5 5 THR CB C 5 69.500 69.500 69.585 -0.085 25268
450 1 5 . 1 1 5 5 THR H H 5 7.921 7.921 8.592 -0.671 25268
451 1 5 . 1 1 6 6 ILE N N 6 121.812 121.812 122.528 -0.716 25268
452 1 5 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.286 -0.044 25268
453 1 5 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.868 0.032 25268
454 1 5 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.424 -1.146 25268
455 1 5 . 1 1 6 6 ILE H H 6 7.877 7.877 7.840 0.037 25268
456 1 5 . 1 1 7 7 LYS N N 7 124.588 124.588 125.627 -1.039 25268
457 1 5 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.201 0.265 25268
458 1 5 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.979 -0.779 25268
459 1 5 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.712 1.588 25268
460 1 5 . 1 1 7 7 LYS H H 7 8.210 8.210 8.520 -0.310 25268
461 1 5 . 1 1 8 8 LEU N N 8 123.110 123.110 116.748 6.362 25268
462 1 5 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.354 0.154 25268
463 1 5 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.823 0.077 25268
464 1 5 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.710 1.090 25268
465 1 5 . 1 1 8 8 LEU H H 8 8.421 8.421 7.357 1.064 25268
466 1 5 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.491 -0.040 25268
467 1 5 . 1 1 9 9 PRO CA C 9 63.800 63.800 63.942 -0.142 25268
468 1 5 . 1 1 9 9 PRO CB C 9 31.900 31.900 33.005 -1.105 25268
469 1 5 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.466 -0.367 25268
470 1 5 . 1 1 10 10 LYS CA C 10 59.200 59.200 55.725 3.475 25268
471 1 5 . 1 1 10 10 LYS CB C 10 32.400 32.400 32.639 -0.239 25268
472 1 5 . 1 1 11 11 PHE N N 11 117.741 117.741 122.912 -5.171 25268
473 1 5 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.063 0.510 25268
474 1 5 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.136 -1.490 25268
475 1 5 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.821 -0.121 25268
476 1 5 . 1 1 11 11 PHE H H 11 8.385 8.385 8.188 0.197 25268
477 1 5 . 1 1 12 12 LEU N N 12 118.903 118.903 118.888 0.015 25268
478 1 5 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.228 -0.183 25268
479 1 5 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.758 -0.823 25268
480 1 5 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.892 1.266 25268
481 1 5 . 1 1 12 12 LEU H H 12 7.717 7.717 8.303 -0.586 25268
482 1 5 . 1 1 13 13 GLY N N 13 106.373 106.373 107.659 -1.286 25268
483 1 5 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.199 0.345 25268
484 1 5 . 1 1 13 13 GLY H H 13 8.402 8.402 8.372 0.030 25268
485 1 5 . 1 1 14 14 GLY N N 14 108.291 108.291 109.410 -1.119 25268
486 1 5 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.963 1.037 25268
487 1 5 . 1 1 14 14 GLY H H 14 8.110 8.110 8.303 -0.193 25268
488 1 5 . 1 1 15 15 ILE N N 15 121.990 121.990 122.126 -0.136 25268
489 1 5 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.798 0.063 25268
490 1 5 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.736 -0.166 25268
491 1 5 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.157 -0.306 25268
492 1 5 . 1 1 15 15 ILE H H 15 7.723 7.723 7.808 -0.085 25268
493 1 5 . 1 1 16 16 VAL N N 16 119.530 119.530 119.940 -0.410 25268
494 1 5 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.679 -0.067 25268
495 1 5 . 1 1 16 16 VAL CA C 16 67.200 67.200 65.904 1.296 25268
496 1 5 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.292 0.050 25268
497 1 5 . 1 1 16 16 VAL H H 16 8.049 8.049 8.482 -0.433 25268
498 1 5 . 1 1 17 17 ARG N N 17 118.293 118.293 120.164 -1.871 25268
499 1 5 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.066 -0.104 25268
500 1 5 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.861 1.239 25268
501 1 5 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.326 0.774 25268
502 1 5 . 1 1 17 17 ARG H H 17 8.247 8.247 7.725 0.522 25268
503 1 5 . 1 1 18 18 ALA N N 18 121.103 121.103 122.492 -1.389 25268
504 1 5 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.086 0.140 25268
505 1 5 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.972 -0.272 25268
506 1 5 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.054 0.252 25268
507 1 5 . 1 1 18 18 ALA H H 18 7.874 7.874 7.873 0.001 25268
508 1 5 . 1 1 19 19 MET N N 19 116.847 116.847 117.442 -0.595 25268
509 1 5 . 1 1 19 19 MET HA H 19 4.192 4.192 4.136 0.056 25268
510 1 5 . 1 1 19 19 MET CA C 19 58.650 58.650 57.897 0.753 25268
511 1 5 . 1 1 19 19 MET CB C 19 33.413 33.413 31.608 1.805 25268
512 1 5 . 1 1 19 19 MET H H 19 8.174 8.174 7.733 0.441 25268
513 1 5 . 1 1 20 20 LEU N N 20 117.531 117.531 119.140 -1.609 25268
514 1 5 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.071 0.201 25268
515 1 5 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.701 -0.823 25268
516 1 5 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.240 0.660 25268
517 1 5 . 1 1 20 20 LEU H H 20 8.178 8.178 8.280 -0.102 25268
518 1 5 . 1 1 21 21 GLY N N 21 105.942 105.942 106.409 -0.467 25268
519 1 5 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.550 -1.150 25268
520 1 5 . 1 1 21 21 GLY H H 21 8.006 8.006 8.834 -0.828 25268
521 1 5 . 1 1 22 22 SER N N 22 115.031 115.031 117.203 -2.172 25268
522 1 5 . 1 1 22 22 SER HA H 22 4.273 4.273 4.493 -0.220 25268
523 1 5 . 1 1 22 22 SER CA C 22 59.500 59.500 60.436 -0.936 25268
524 1 5 . 1 1 22 22 SER CB C 22 63.580 63.580 63.235 0.345 25268
525 1 5 . 1 1 22 22 SER H H 22 7.859 7.859 7.744 0.115 25268
526 1 5 . 1 1 23 23 PHE N N 23 119.803 119.803 121.224 -1.421 25268
527 1 5 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.282 0.339 25268
528 1 5 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.369 -2.269 25268
529 1 5 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.864 -0.194 25268
530 1 5 . 1 1 23 23 PHE H H 23 7.837 7.837 7.926 -0.089 25268
531 1 5 . 1 1 24 24 ARG N N 24 120.811 120.811 116.228 4.583 25268
532 1 5 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.942 0.424 25268
533 1 5 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.295 -1.315 25268
534 1 5 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.059 2.092 25268
535 1 5 . 1 1 24 24 ARG H H 24 7.886 7.886 8.287 -0.401 25268
536 1 5 . 1 1 25 25 LYS N N 25 123.162 123.162 119.741 3.421 25268
537 1 5 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.105 0.295 25268
538 1 5 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.978 -0.778 25268
539 1 5 . 1 1 25 25 LYS CB C 25 33.300 33.300 31.646 1.654 25268
540 1 5 . 1 1 25 25 LYS H H 25 8.359 8.359 8.335 0.024 25268
541 1 6 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.017 0.383 25268
542 1 6 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.016 0.184 25268
543 1 6 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.417 0.883 25268
544 1 6 . 1 1 3 3 PHE N N 3 120.647 120.647 121.443 -0.796 25268
545 1 6 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.220 0.334 25268
546 1 6 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.295 0.784 25268
547 1 6 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.236 1.919 25268
548 1 6 . 1 1 3 3 PHE H H 3 8.333 8.333 7.574 0.759 25268
549 1 6 . 1 1 4 4 TYR N N 4 119.545 119.545 127.334 -7.789 25268
550 1 6 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.434 0.050 25268
551 1 6 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.524 0.576 25268
552 1 6 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.805 -1.105 25268
553 1 6 . 1 1 4 4 TYR H H 4 7.835 7.835 8.280 -0.445 25268
554 1 6 . 1 1 5 5 THR N N 5 113.849 113.849 113.459 0.390 25268
555 1 6 . 1 1 5 5 THR HA H 5 4.327 4.327 3.756 0.571 25268
556 1 6 . 1 1 5 5 THR CA C 5 62.200 62.200 63.317 -1.117 25268
557 1 6 . 1 1 5 5 THR CB C 5 69.500 69.500 68.850 0.650 25268
558 1 6 . 1 1 5 5 THR H H 5 7.921 7.921 8.213 -0.292 25268
559 1 6 . 1 1 6 6 ILE N N 6 121.812 121.812 121.626 0.186 25268
560 1 6 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.219 0.023 25268
561 1 6 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.065 0.835 25268
562 1 6 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.043 -0.765 25268
563 1 6 . 1 1 6 6 ILE H H 6 7.877 7.877 7.457 0.420 25268
564 1 6 . 1 1 7 7 LYS N N 7 124.588 124.588 124.530 0.058 25268
565 1 6 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.210 0.256 25268
566 1 6 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.532 -0.332 25268
567 1 6 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.978 1.322 25268
568 1 6 . 1 1 7 7 LYS H H 7 8.210 8.210 8.356 -0.146 25268
569 1 6 . 1 1 8 8 LEU N N 8 123.110 123.110 118.038 5.072 25268
570 1 6 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.225 0.283 25268
571 1 6 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.788 0.112 25268
572 1 6 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.924 0.876 25268
573 1 6 . 1 1 8 8 LEU H H 8 8.421 8.421 7.421 1.000 25268
574 1 6 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.582 -0.131 25268
575 1 6 . 1 1 9 9 PRO CA C 9 63.800 63.800 64.390 -0.590 25268
576 1 6 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.843 -0.943 25268
577 1 6 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.433 -0.334 25268
578 1 6 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.212 2.988 25268
579 1 6 . 1 1 10 10 LYS CB C 10 32.400 32.400 32.093 0.307 25268
580 1 6 . 1 1 11 11 PHE N N 11 117.741 117.741 123.696 -5.955 25268
581 1 6 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.115 0.458 25268
582 1 6 . 1 1 11 11 PHE CA C 11 59.646 59.646 60.862 -1.216 25268
583 1 6 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.880 -0.180 25268
584 1 6 . 1 1 11 11 PHE H H 11 8.385 8.385 8.227 0.158 25268
585 1 6 . 1 1 12 12 LEU N N 12 118.903 118.903 118.871 0.032 25268
586 1 6 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.099 -0.054 25268
587 1 6 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.663 -0.728 25268
588 1 6 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.577 1.581 25268
589 1 6 . 1 1 12 12 LEU H H 12 7.717 7.717 8.166 -0.449 25268
590 1 6 . 1 1 13 13 GLY N N 13 106.373 106.373 107.371 -0.998 25268
591 1 6 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.203 0.341 25268
592 1 6 . 1 1 13 13 GLY H H 13 8.402 8.402 8.193 0.209 25268
593 1 6 . 1 1 14 14 GLY N N 14 108.291 108.291 109.415 -1.124 25268
594 1 6 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.962 1.038 25268
595 1 6 . 1 1 14 14 GLY H H 14 8.110 8.110 7.977 0.133 25268
596 1 6 . 1 1 15 15 ILE N N 15 121.990 121.990 122.276 -0.286 25268
597 1 6 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.698 0.163 25268
598 1 6 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.656 -0.086 25268
599 1 6 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.085 -0.234 25268
600 1 6 . 1 1 15 15 ILE H H 15 7.723 7.723 7.856 -0.134 25268
601 1 6 . 1 1 16 16 VAL N N 16 119.530 119.530 119.707 -0.177 25268
602 1 6 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.613 -0.001 25268
603 1 6 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.693 0.507 25268
604 1 6 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.806 -0.464 25268
605 1 6 . 1 1 16 16 VAL H H 16 8.049 8.049 8.366 -0.317 25268
606 1 6 . 1 1 17 17 ARG N N 17 118.293 118.293 119.673 -1.380 25268
607 1 6 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.048 -0.086 25268
608 1 6 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.498 0.602 25268
609 1 6 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.883 0.217 25268
610 1 6 . 1 1 17 17 ARG H H 17 8.247 8.247 7.745 0.502 25268
611 1 6 . 1 1 18 18 ALA N N 18 121.103 121.103 122.940 -1.837 25268
612 1 6 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.064 0.162 25268
613 1 6 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.990 -0.290 25268
614 1 6 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.216 0.090 25268
615 1 6 . 1 1 18 18 ALA H H 18 7.874 7.874 8.013 -0.139 25268
616 1 6 . 1 1 19 19 MET N N 19 116.847 116.847 117.087 -0.240 25268
617 1 6 . 1 1 19 19 MET HA H 19 4.192 4.192 4.154 0.038 25268
618 1 6 . 1 1 19 19 MET CA C 19 58.650 58.650 57.939 0.711 25268
619 1 6 . 1 1 19 19 MET CB C 19 33.413 33.413 31.736 1.677 25268
620 1 6 . 1 1 19 19 MET H H 19 8.174 8.174 7.742 0.432 25268
621 1 6 . 1 1 20 20 LEU N N 20 117.531 117.531 118.471 -0.940 25268
622 1 6 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.089 0.182 25268
623 1 6 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.500 -0.622 25268
624 1 6 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.531 0.369 25268
625 1 6 . 1 1 20 20 LEU H H 20 8.178 8.178 8.075 0.103 25268
626 1 6 . 1 1 21 21 GLY N N 21 105.942 105.942 104.797 1.145 25268
627 1 6 . 1 1 21 21 GLY CA C 21 46.400 46.400 46.561 -0.161 25268
628 1 6 . 1 1 21 21 GLY H H 21 8.006 8.006 8.615 -0.609 25268
629 1 6 . 1 1 22 22 SER N N 22 115.031 115.031 116.577 -1.546 25268
630 1 6 . 1 1 22 22 SER HA H 22 4.273 4.273 4.465 -0.192 25268
631 1 6 . 1 1 22 22 SER CA C 22 59.500 59.500 59.097 0.403 25268
632 1 6 . 1 1 22 22 SER CB C 22 63.580 63.580 63.803 -0.223 25268
633 1 6 . 1 1 22 22 SER H H 22 7.859 7.859 7.542 0.317 25268
634 1 6 . 1 1 23 23 PHE N N 23 119.803 119.803 121.414 -1.611 25268
635 1 6 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.382 0.239 25268
636 1 6 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.127 -2.027 25268
637 1 6 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.985 -0.315 25268
638 1 6 . 1 1 23 23 PHE H H 23 7.837 7.837 7.567 0.270 25268
639 1 6 . 1 1 24 24 ARG N N 24 120.811 120.811 115.217 5.594 25268
640 1 6 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.917 0.449 25268
641 1 6 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.515 -1.535 25268
642 1 6 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.151 3.002 25268
643 1 6 . 1 1 24 24 ARG H H 24 7.886 7.886 8.038 -0.152 25268
644 1 6 . 1 1 25 25 LYS N N 25 123.162 123.162 118.395 4.767 25268
645 1 6 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.468 -0.068 25268
646 1 6 . 1 1 25 25 LYS CA C 25 56.200 56.200 54.932 1.268 25268
647 1 6 . 1 1 25 25 LYS CB C 25 33.300 33.300 34.512 -1.212 25268
648 1 6 . 1 1 25 25 LYS H H 25 8.359 8.359 7.919 0.440 25268
649 1 7 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.120 0.280 25268
650 1 7 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.684 -0.485 25268
651 1 7 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.794 0.506 25268
652 1 7 . 1 1 3 3 PHE N N 3 120.647 120.647 122.077 -1.430 25268
653 1 7 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.529 0.025 25268
654 1 7 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.416 0.664 25268
655 1 7 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.741 0.414 25268
656 1 7 . 1 1 3 3 PHE H H 3 8.333 8.333 7.623 0.710 25268
657 1 7 . 1 1 4 4 TYR N N 4 119.545 119.545 118.589 0.956 25268
658 1 7 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.504 -0.020 25268
659 1 7 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.445 1.655 25268
660 1 7 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.351 0.349 25268
661 1 7 . 1 1 4 4 TYR H H 4 7.835 7.835 6.360 1.475 25268
662 1 7 . 1 1 5 5 THR N N 5 113.849 113.849 111.154 2.695 25268
663 1 7 . 1 1 5 5 THR HA H 5 4.327 4.327 4.404 -0.077 25268
664 1 7 . 1 1 5 5 THR CA C 5 62.200 62.200 61.528 0.672 25268
665 1 7 . 1 1 5 5 THR CB C 5 69.500 69.500 69.013 0.487 25268
666 1 7 . 1 1 5 5 THR H H 5 7.921 7.921 8.520 -0.599 25268
667 1 7 . 1 1 6 6 ILE N N 6 121.812 121.812 121.927 -0.115 25268
668 1 7 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.289 -0.047 25268
669 1 7 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.046 0.854 25268
670 1 7 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.583 -1.305 25268
671 1 7 . 1 1 6 6 ILE H H 6 7.877 7.877 7.741 0.136 25268
672 1 7 . 1 1 7 7 LYS N N 7 124.588 124.588 123.407 1.181 25268
673 1 7 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.272 0.194 25268
674 1 7 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.398 -0.198 25268
675 1 7 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.835 1.465 25268
676 1 7 . 1 1 7 7 LYS H H 7 8.210 8.210 8.387 -0.177 25268
677 1 7 . 1 1 8 8 LEU N N 8 123.110 123.110 118.348 4.762 25268
678 1 7 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.386 0.122 25268
679 1 7 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.367 1.533 25268
680 1 7 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.674 1.126 25268
681 1 7 . 1 1 8 8 LEU H H 8 8.421 8.421 7.214 1.207 25268
682 1 7 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.540 -0.089 25268
683 1 7 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.086 1.714 25268
684 1 7 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.404 1.496 25268
685 1 7 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.754 0.345 25268
686 1 7 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.707 2.493 25268
687 1 7 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.000 1.400 25268
688 1 7 . 1 1 11 11 PHE N N 11 117.741 117.741 120.107 -2.366 25268
689 1 7 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.106 0.467 25268
690 1 7 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.683 -2.037 25268
691 1 7 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.968 -0.268 25268
692 1 7 . 1 1 11 11 PHE H H 11 8.385 8.385 8.208 0.177 25268
693 1 7 . 1 1 12 12 LEU N N 12 118.903 118.903 119.071 -0.168 25268
694 1 7 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.319 -0.274 25268
695 1 7 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.881 -0.946 25268
696 1 7 . 1 1 12 12 LEU CB C 12 42.158 42.158 41.057 1.101 25268
697 1 7 . 1 1 12 12 LEU H H 12 7.717 7.717 8.426 -0.709 25268
698 1 7 . 1 1 13 13 GLY N N 13 106.373 106.373 107.672 -1.299 25268
699 1 7 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.349 0.195 25268
700 1 7 . 1 1 13 13 GLY H H 13 8.402 8.402 8.574 -0.172 25268
701 1 7 . 1 1 14 14 GLY N N 14 108.291 108.291 109.459 -1.168 25268
702 1 7 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.998 1.002 25268
703 1 7 . 1 1 14 14 GLY H H 14 8.110 8.110 8.109 0.001 25268
704 1 7 . 1 1 15 15 ILE N N 15 121.990 121.990 122.371 -0.381 25268
705 1 7 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.757 0.104 25268
706 1 7 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.767 -0.197 25268
707 1 7 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.231 -0.380 25268
708 1 7 . 1 1 15 15 ILE H H 15 7.723 7.723 7.903 -0.180 25268
709 1 7 . 1 1 16 16 VAL N N 16 119.530 119.530 119.851 -0.321 25268
710 1 7 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.661 -0.049 25268
711 1 7 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.608 0.592 25268
712 1 7 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.861 -0.519 25268
713 1 7 . 1 1 16 16 VAL H H 16 8.049 8.049 8.560 -0.511 25268
714 1 7 . 1 1 17 17 ARG N N 17 118.293 118.293 120.098 -1.805 25268
715 1 7 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.065 -0.103 25268
716 1 7 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.803 1.297 25268
717 1 7 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.336 0.764 25268
718 1 7 . 1 1 17 17 ARG H H 17 8.247 8.247 7.785 0.462 25268
719 1 7 . 1 1 18 18 ALA N N 18 121.103 121.103 122.558 -1.455 25268
720 1 7 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.102 0.124 25268
721 1 7 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.989 -0.289 25268
722 1 7 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.044 0.262 25268
723 1 7 . 1 1 18 18 ALA H H 18 7.874 7.874 7.859 0.015 25268
724 1 7 . 1 1 19 19 MET N N 19 116.847 116.847 117.813 -0.966 25268
725 1 7 . 1 1 19 19 MET HA H 19 4.192 4.192 4.160 0.032 25268
726 1 7 . 1 1 19 19 MET CA C 19 58.650 58.650 57.873 0.777 25268
727 1 7 . 1 1 19 19 MET CB C 19 33.413 33.413 31.604 1.809 25268
728 1 7 . 1 1 19 19 MET H H 19 8.174 8.174 7.746 0.428 25268
729 1 7 . 1 1 20 20 LEU N N 20 117.531 117.531 118.974 -1.443 25268
730 1 7 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.061 0.210 25268
731 1 7 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.633 -0.755 25268
732 1 7 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.255 0.645 25268
733 1 7 . 1 1 20 20 LEU H H 20 8.178 8.178 8.208 -0.030 25268
734 1 7 . 1 1 21 21 GLY N N 21 105.942 105.942 105.991 -0.049 25268
735 1 7 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.355 -0.955 25268
736 1 7 . 1 1 21 21 GLY H H 21 8.006 8.006 8.601 -0.595 25268
737 1 7 . 1 1 22 22 SER N N 22 115.031 115.031 115.613 -0.582 25268
738 1 7 . 1 1 22 22 SER HA H 22 4.273 4.273 4.412 -0.139 25268
739 1 7 . 1 1 22 22 SER CA C 22 59.500 59.500 60.887 -1.387 25268
740 1 7 . 1 1 22 22 SER CB C 22 63.580 63.580 63.636 -0.056 25268
741 1 7 . 1 1 22 22 SER H H 22 7.859 7.859 7.547 0.312 25268
742 1 7 . 1 1 23 23 PHE N N 23 119.803 119.803 122.248 -2.445 25268
743 1 7 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.182 0.439 25268
744 1 7 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.257 -2.157 25268
745 1 7 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.647 0.023 25268
746 1 7 . 1 1 23 23 PHE H H 23 7.837 7.837 7.756 0.081 25268
747 1 7 . 1 1 24 24 ARG N N 24 120.811 120.811 116.086 4.725 25268
748 1 7 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.989 0.377 25268
749 1 7 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.063 -1.083 25268
750 1 7 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.889 2.263 25268
751 1 7 . 1 1 24 24 ARG H H 24 7.886 7.886 8.109 -0.223 25268
752 1 7 . 1 1 25 25 LYS N N 25 123.162 123.162 121.810 1.352 25268
753 1 7 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.274 0.126 25268
754 1 7 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.499 -0.299 25268
755 1 7 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.659 0.641 25268
756 1 7 . 1 1 25 25 LYS H H 25 8.359 8.359 8.162 0.197 25268
757 1 8 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.162 0.238 25268
758 1 8 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.077 0.123 25268
759 1 8 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.664 0.636 25268
760 1 8 . 1 1 3 3 PHE N N 3 120.647 120.647 121.069 -0.422 25268
761 1 8 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.415 0.139 25268
762 1 8 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.369 0.711 25268
763 1 8 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.249 0.906 25268
764 1 8 . 1 1 3 3 PHE H H 3 8.333 8.333 7.694 0.639 25268
765 1 8 . 1 1 4 4 TYR N N 4 119.545 119.545 120.373 -0.828 25268
766 1 8 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.473 0.011 25268
767 1 8 . 1 1 4 4 TYR CA C 4 58.100 58.100 58.011 0.089 25268
768 1 8 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.297 -0.597 25268
769 1 8 . 1 1 4 4 TYR H H 4 7.835 7.835 8.299 -0.464 25268
770 1 8 . 1 1 5 5 THR N N 5 113.849 113.849 112.208 1.641 25268
771 1 8 . 1 1 5 5 THR HA H 5 4.327 4.327 4.250 0.077 25268
772 1 8 . 1 1 5 5 THR CA C 5 62.200 62.200 63.320 -1.120 25268
773 1 8 . 1 1 5 5 THR CB C 5 69.500 69.500 68.810 0.690 25268
774 1 8 . 1 1 5 5 THR H H 5 7.921 7.921 8.545 -0.624 25268
775 1 8 . 1 1 6 6 ILE N N 6 121.812 121.812 121.741 0.071 25268
776 1 8 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.250 -0.008 25268
777 1 8 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.349 0.551 25268
778 1 8 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.323 -1.045 25268
779 1 8 . 1 1 6 6 ILE H H 6 7.877 7.877 7.616 0.261 25268
780 1 8 . 1 1 7 7 LYS N N 7 124.588 124.588 127.235 -2.647 25268
781 1 8 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.268 0.198 25268
782 1 8 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.197 0.003 25268
783 1 8 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.006 2.294 25268
784 1 8 . 1 1 7 7 LYS H H 7 8.210 8.210 8.471 -0.261 25268
785 1 8 . 1 1 8 8 LEU N N 8 123.110 123.110 117.477 5.633 25268
786 1 8 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.358 0.150 25268
787 1 8 . 1 1 8 8 LEU CA C 8 54.900 54.900 55.008 -0.108 25268
788 1 8 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.742 1.058 25268
789 1 8 . 1 1 8 8 LEU H H 8 8.421 8.421 7.270 1.151 25268
790 1 8 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.641 -0.190 25268
791 1 8 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.938 0.862 25268
792 1 8 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.670 -0.770 25268
793 1 8 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.233 -0.134 25268
794 1 8 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.353 2.847 25268
795 1 8 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.748 1.652 25268
796 1 8 . 1 1 11 11 PHE N N 11 117.741 117.741 121.922 -4.181 25268
797 1 8 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.250 0.323 25268
798 1 8 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.206 -1.560 25268
799 1 8 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.837 -0.138 25268
800 1 8 . 1 1 11 11 PHE H H 11 8.385 8.385 8.117 0.268 25268
801 1 8 . 1 1 12 12 LEU N N 12 118.903 118.903 118.975 -0.072 25268
802 1 8 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.087 -0.042 25268
803 1 8 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.534 -0.599 25268
804 1 8 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.449 1.709 25268
805 1 8 . 1 1 12 12 LEU H H 12 7.717 7.717 8.179 -0.462 25268
806 1 8 . 1 1 13 13 GLY N N 13 106.373 106.373 107.463 -1.090 25268
807 1 8 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.260 0.284 25268
808 1 8 . 1 1 13 13 GLY H H 13 8.402 8.402 8.278 0.124 25268
809 1 8 . 1 1 14 14 GLY N N 14 108.291 108.291 109.197 -0.906 25268
810 1 8 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.814 1.186 25268
811 1 8 . 1 1 14 14 GLY H H 14 8.110 8.110 7.596 0.514 25268
812 1 8 . 1 1 15 15 ILE N N 15 121.990 121.990 122.324 -0.334 25268
813 1 8 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.657 0.204 25268
814 1 8 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.677 -0.107 25268
815 1 8 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.059 -0.208 25268
816 1 8 . 1 1 15 15 ILE H H 15 7.723 7.723 7.635 0.088 25268
817 1 8 . 1 1 16 16 VAL N N 16 119.530 119.530 119.868 -0.338 25268
818 1 8 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.617 -0.005 25268
819 1 8 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.563 0.637 25268
820 1 8 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.742 -0.400 25268
821 1 8 . 1 1 16 16 VAL H H 16 8.049 8.049 8.440 -0.391 25268
822 1 8 . 1 1 17 17 ARG N N 17 118.293 118.293 118.485 -0.192 25268
823 1 8 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.067 -0.105 25268
824 1 8 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.777 1.323 25268
825 1 8 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.275 0.825 25268
826 1 8 . 1 1 17 17 ARG H H 17 8.247 8.247 7.848 0.399 25268
827 1 8 . 1 1 18 18 ALA N N 18 121.103 121.103 123.582 -2.479 25268
828 1 8 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.114 0.112 25268
829 1 8 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.988 -0.288 25268
830 1 8 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.057 0.249 25268
831 1 8 . 1 1 18 18 ALA H H 18 7.874 7.874 7.983 -0.109 25268
832 1 8 . 1 1 19 19 MET N N 19 116.847 116.847 117.408 -0.561 25268
833 1 8 . 1 1 19 19 MET HA H 19 4.192 4.192 4.135 0.057 25268
834 1 8 . 1 1 19 19 MET CA C 19 58.650 58.650 57.957 0.693 25268
835 1 8 . 1 1 19 19 MET CB C 19 33.413 33.413 31.653 1.760 25268
836 1 8 . 1 1 19 19 MET H H 19 8.174 8.174 7.746 0.428 25268
837 1 8 . 1 1 20 20 LEU N N 20 117.531 117.531 118.880 -1.349 25268
838 1 8 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.044 0.227 25268
839 1 8 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.623 -0.745 25268
840 1 8 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.266 0.634 25268
841 1 8 . 1 1 20 20 LEU H H 20 8.178 8.178 8.089 0.089 25268
842 1 8 . 1 1 21 21 GLY N N 21 105.942 105.942 105.607 0.335 25268
843 1 8 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.243 -0.843 25268
844 1 8 . 1 1 21 21 GLY H H 21 8.006 8.006 8.693 -0.687 25268
845 1 8 . 1 1 22 22 SER N N 22 115.031 115.031 116.427 -1.396 25268
846 1 8 . 1 1 22 22 SER HA H 22 4.273 4.273 4.452 -0.179 25268
847 1 8 . 1 1 22 22 SER CA C 22 59.500 59.500 60.739 -1.239 25268
848 1 8 . 1 1 22 22 SER CB C 22 63.580 63.580 63.546 0.034 25268
849 1 8 . 1 1 22 22 SER H H 22 7.859 7.859 7.789 0.070 25268
850 1 8 . 1 1 23 23 PHE N N 23 119.803 119.803 121.048 -1.245 25268
851 1 8 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.211 0.410 25268
852 1 8 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.385 -2.285 25268
853 1 8 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.715 -0.045 25268
854 1 8 . 1 1 23 23 PHE H H 23 7.837 7.837 7.815 0.022 25268
855 1 8 . 1 1 24 24 ARG N N 24 120.811 120.811 116.169 4.642 25268
856 1 8 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.008 0.358 25268
857 1 8 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.870 -0.890 25268
858 1 8 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.550 1.602 25268
859 1 8 . 1 1 24 24 ARG H H 24 7.886 7.886 7.953 -0.067 25268
860 1 8 . 1 1 25 25 LYS N N 25 123.162 123.162 122.191 0.971 25268
861 1 8 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.266 0.134 25268
862 1 8 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.365 -0.165 25268
863 1 8 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.919 0.381 25268
864 1 8 . 1 1 25 25 LYS H H 25 8.359 8.359 8.229 0.130 25268
865 1 9 . 1 1 2 2 LYS HA H 2 4.400 4.400 5.063 -0.663 25268
866 1 9 . 1 1 2 2 LYS CA C 2 56.200 56.200 55.786 0.414 25268
867 1 9 . 1 1 2 2 LYS CB C 2 33.300 33.300 34.752 -1.452 25268
868 1 9 . 1 1 3 3 PHE N N 3 120.647 120.647 119.913 0.734 25268
869 1 9 . 1 1 3 3 PHE HA H 3 4.554 4.554 5.099 -0.545 25268
870 1 9 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.917 1.163 25268
871 1 9 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.912 0.243 25268
872 1 9 . 1 1 3 3 PHE H H 3 8.333 8.333 8.263 0.070 25268
873 1 9 . 1 1 4 4 TYR N N 4 119.545 119.545 118.281 1.264 25268
874 1 9 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.831 -0.347 25268
875 1 9 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.904 1.196 25268
876 1 9 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.881 -1.181 25268
877 1 9 . 1 1 4 4 TYR H H 4 7.835 7.835 8.037 -0.202 25268
878 1 9 . 1 1 5 5 THR N N 5 113.849 113.849 114.699 -0.850 25268
879 1 9 . 1 1 5 5 THR HA H 5 4.327 4.327 4.639 -0.312 25268
880 1 9 . 1 1 5 5 THR CA C 5 62.200 62.200 62.221 -0.021 25268
881 1 9 . 1 1 5 5 THR CB C 5 69.500 69.500 69.775 -0.275 25268
882 1 9 . 1 1 5 5 THR H H 5 7.921 7.921 8.712 -0.791 25268
883 1 9 . 1 1 6 6 ILE N N 6 121.812 121.812 121.453 0.359 25268
884 1 9 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.028 0.214 25268
885 1 9 . 1 1 6 6 ILE CA C 6 60.900 60.900 62.304 -1.404 25268
886 1 9 . 1 1 6 6 ILE CB C 6 39.278 39.278 38.112 1.166 25268
887 1 9 . 1 1 6 6 ILE H H 6 7.877 7.877 7.820 0.057 25268
888 1 9 . 1 1 7 7 LYS N N 7 124.588 124.588 116.614 7.974 25268
889 1 9 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.256 0.210 25268
890 1 9 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.966 -0.766 25268
891 1 9 . 1 1 7 7 LYS CB C 7 33.300 33.300 30.812 2.488 25268
892 1 9 . 1 1 7 7 LYS H H 7 8.210 8.210 8.200 0.010 25268
893 1 9 . 1 1 8 8 LEU N N 8 123.110 123.110 115.016 8.094 25268
894 1 9 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.353 0.155 25268
895 1 9 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.826 1.074 25268
896 1 9 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.898 0.902 25268
897 1 9 . 1 1 8 8 LEU H H 8 8.421 8.421 7.578 0.843 25268
898 1 9 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.594 -0.143 25268
899 1 9 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.175 1.625 25268
900 1 9 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.377 1.523 25268
901 1 9 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.729 0.370 25268
902 1 9 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.825 2.375 25268
903 1 9 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.886 1.514 25268
904 1 9 . 1 1 11 11 PHE N N 11 117.741 117.741 119.772 -2.031 25268
905 1 9 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.167 0.406 25268
906 1 9 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.445 -1.799 25268
907 1 9 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.016 -0.315 25268
908 1 9 . 1 1 11 11 PHE H H 11 8.385 8.385 8.101 0.284 25268
909 1 9 . 1 1 12 12 LEU N N 12 118.903 118.903 119.184 -0.281 25268
910 1 9 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.248 -0.203 25268
911 1 9 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.672 -0.737 25268
912 1 9 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.908 1.250 25268
913 1 9 . 1 1 12 12 LEU H H 12 7.717 7.717 8.321 -0.604 25268
914 1 9 . 1 1 13 13 GLY N N 13 106.373 106.373 107.591 -1.218 25268
915 1 9 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.226 0.318 25268
916 1 9 . 1 1 13 13 GLY H H 13 8.402 8.402 8.463 -0.061 25268
917 1 9 . 1 1 14 14 GLY N N 14 108.291 108.291 108.832 -0.541 25268
918 1 9 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.765 1.235 25268
919 1 9 . 1 1 14 14 GLY H H 14 8.110 8.110 7.484 0.626 25268
920 1 9 . 1 1 15 15 ILE N N 15 121.990 121.990 122.332 -0.342 25268
921 1 9 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.717 0.144 25268
922 1 9 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.671 -0.101 25268
923 1 9 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.178 -0.327 25268
924 1 9 . 1 1 15 15 ILE H H 15 7.723 7.723 7.567 0.156 25268
925 1 9 . 1 1 16 16 VAL N N 16 119.530 119.530 119.639 -0.109 25268
926 1 9 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.575 0.037 25268
927 1 9 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.300 0.900 25268
928 1 9 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.560 -0.218 25268
929 1 9 . 1 1 16 16 VAL H H 16 8.049 8.049 8.513 -0.464 25268
930 1 9 . 1 1 17 17 ARG N N 17 118.293 118.293 118.526 -0.233 25268
931 1 9 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.027 -0.065 25268
932 1 9 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.505 0.595 25268
933 1 9 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.678 0.422 25268
934 1 9 . 1 1 17 17 ARG H H 17 8.247 8.247 8.078 0.169 25268
935 1 9 . 1 1 18 18 ALA N N 18 121.103 121.103 123.515 -2.412 25268
936 1 9 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.096 0.130 25268
937 1 9 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.961 -0.261 25268
938 1 9 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.156 0.150 25268
939 1 9 . 1 1 18 18 ALA H H 18 7.874 7.874 7.962 -0.088 25268
940 1 9 . 1 1 19 19 MET N N 19 116.847 116.847 117.450 -0.603 25268
941 1 9 . 1 1 19 19 MET HA H 19 4.192 4.192 4.154 0.038 25268
942 1 9 . 1 1 19 19 MET CA C 19 58.650 58.650 57.855 0.795 25268
943 1 9 . 1 1 19 19 MET CB C 19 33.413 33.413 31.672 1.741 25268
944 1 9 . 1 1 19 19 MET H H 19 8.174 8.174 7.710 0.464 25268
945 1 9 . 1 1 20 20 LEU N N 20 117.531 117.531 118.984 -1.453 25268
946 1 9 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.041 0.230 25268
947 1 9 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.370 -0.492 25268
948 1 9 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.294 0.606 25268
949 1 9 . 1 1 20 20 LEU H H 20 8.178 8.178 8.050 0.128 25268
950 1 9 . 1 1 21 21 GLY N N 21 105.942 105.942 105.841 0.101 25268
951 1 9 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.201 -0.801 25268
952 1 9 . 1 1 21 21 GLY H H 21 8.006 8.006 8.468 -0.462 25268
953 1 9 . 1 1 22 22 SER N N 22 115.031 115.031 116.739 -1.708 25268
954 1 9 . 1 1 22 22 SER HA H 22 4.273 4.273 4.289 -0.016 25268
955 1 9 . 1 1 22 22 SER CA C 22 59.500 59.500 60.500 -1.000 25268
956 1 9 . 1 1 22 22 SER CB C 22 63.580 63.580 63.440 0.140 25268
957 1 9 . 1 1 22 22 SER H H 22 7.859 7.859 7.690 0.169 25268
958 1 9 . 1 1 23 23 PHE N N 23 119.803 119.803 121.981 -2.178 25268
959 1 9 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.208 0.413 25268
960 1 9 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.880 -2.780 25268
961 1 9 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.116 0.554 25268
962 1 9 . 1 1 23 23 PHE H H 23 7.837 7.837 7.460 0.377 25268
963 1 9 . 1 1 24 24 ARG N N 24 120.811 120.811 116.964 3.847 25268
964 1 9 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.118 0.248 25268
965 1 9 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.876 -0.896 25268
966 1 9 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.920 1.232 25268
967 1 9 . 1 1 24 24 ARG H H 24 7.886 7.886 7.728 0.158 25268
968 1 9 . 1 1 25 25 LYS N N 25 123.162 123.162 121.261 1.901 25268
969 1 9 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.133 0.267 25268
970 1 9 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.292 -0.092 25268
971 1 9 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.312 -0.012 25268
972 1 9 . 1 1 25 25 LYS H H 25 8.359 8.359 7.671 0.688 25268
973 1 10 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.246 0.154 25268
974 1 10 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.328 -0.128 25268
975 1 10 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.678 0.622 25268
976 1 10 . 1 1 3 3 PHE N N 3 120.647 120.647 118.874 1.773 25268
977 1 10 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.687 -0.133 25268
978 1 10 . 1 1 3 3 PHE CA C 3 58.080 58.080 58.255 -0.175 25268
979 1 10 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.038 1.117 25268
980 1 10 . 1 1 3 3 PHE H H 3 8.333 8.333 7.878 0.455 25268
981 1 10 . 1 1 4 4 TYR N N 4 119.545 119.545 117.649 1.896 25268
982 1 10 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.403 0.081 25268
983 1 10 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.987 0.113 25268
984 1 10 . 1 1 4 4 TYR CB C 4 38.700 38.700 37.027 1.673 25268
985 1 10 . 1 1 4 4 TYR H H 4 7.835 7.835 6.434 1.401 25268
986 1 10 . 1 1 5 5 THR N N 5 113.849 113.849 113.969 -0.120 25268
987 1 10 . 1 1 5 5 THR HA H 5 4.327 4.327 3.634 0.693 25268
988 1 10 . 1 1 5 5 THR CA C 5 62.200 62.200 63.178 -0.978 25268
989 1 10 . 1 1 5 5 THR CB C 5 69.500 69.500 67.667 1.833 25268
990 1 10 . 1 1 5 5 THR H H 5 7.921 7.921 7.097 0.824 25268
991 1 10 . 1 1 6 6 ILE N N 6 121.812 121.812 119.859 1.953 25268
992 1 10 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.310 -0.068 25268
993 1 10 . 1 1 6 6 ILE CA C 6 60.900 60.900 59.957 0.943 25268
994 1 10 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.373 -1.095 25268
995 1 10 . 1 1 6 6 ILE H H 6 7.877 7.877 7.457 0.420 25268
996 1 10 . 1 1 7 7 LYS N N 7 124.588 124.588 122.933 1.655 25268
997 1 10 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.315 0.151 25268
998 1 10 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.611 -0.411 25268
999 1 10 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.669 1.631 25268
1000 1 10 . 1 1 7 7 LYS H H 7 8.210 8.210 8.427 -0.217 25268
1001 1 10 . 1 1 8 8 LEU N N 8 123.110 123.110 118.559 4.551 25268
1002 1 10 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.516 -0.008 25268
1003 1 10 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.401 1.499 25268
1004 1 10 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.846 0.953 25268
1005 1 10 . 1 1 8 8 LEU H H 8 8.421 8.421 7.410 1.011 25268
1006 1 10 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.527 -0.076 25268
1007 1 10 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.138 1.662 25268
1008 1 10 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.295 1.605 25268
1009 1 10 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.724 0.375 25268
1010 1 10 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.461 2.739 25268
1011 1 10 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.884 0.516 25268
1012 1 10 . 1 1 11 11 PHE N N 11 117.741 117.741 120.039 -2.298 25268
1013 1 10 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.163 0.410 25268
1014 1 10 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.338 -1.692 25268
1015 1 10 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.947 -0.247 25268
1016 1 10 . 1 1 11 11 PHE H H 11 8.385 8.385 8.235 0.150 25268
1017 1 10 . 1 1 12 12 LEU N N 12 118.903 118.903 119.260 -0.357 25268
1018 1 10 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.305 -0.260 25268
1019 1 10 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.798 -0.863 25268
1020 1 10 . 1 1 12 12 LEU CB C 12 42.158 42.158 41.029 1.129 25268
1021 1 10 . 1 1 12 12 LEU H H 12 7.717 7.717 8.360 -0.643 25268
1022 1 10 . 1 1 13 13 GLY N N 13 106.373 106.373 107.163 -0.790 25268
1023 1 10 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.212 0.332 25268
1024 1 10 . 1 1 13 13 GLY H H 13 8.402 8.402 8.461 -0.059 25268
1025 1 10 . 1 1 14 14 GLY N N 14 108.291 108.291 109.196 -0.905 25268
1026 1 10 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.739 1.261 25268
1027 1 10 . 1 1 14 14 GLY H H 14 8.110 8.110 7.626 0.484 25268
1028 1 10 . 1 1 15 15 ILE N N 15 121.990 121.990 122.431 -0.441 25268
1029 1 10 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.773 0.088 25268
1030 1 10 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.821 -0.251 25268
1031 1 10 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.274 -0.423 25268
1032 1 10 . 1 1 15 15 ILE H H 15 7.723 7.723 7.778 -0.055 25268
1033 1 10 . 1 1 16 16 VAL N N 16 119.530 119.530 119.715 -0.185 25268
1034 1 10 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.602 0.010 25268
1035 1 10 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.309 0.891 25268
1036 1 10 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.610 -0.269 25268
1037 1 10 . 1 1 16 16 VAL H H 16 8.049 8.049 8.474 -0.425 25268
1038 1 10 . 1 1 17 17 ARG N N 17 118.293 118.293 119.541 -1.248 25268
1039 1 10 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.047 -0.085 25268
1040 1 10 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.569 0.531 25268
1041 1 10 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.788 0.312 25268
1042 1 10 . 1 1 17 17 ARG H H 17 8.247 8.247 8.015 0.232 25268
1043 1 10 . 1 1 18 18 ALA N N 18 121.103 121.103 122.748 -1.645 25268
1044 1 10 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.071 0.155 25268
1045 1 10 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.998 -0.298 25268
1046 1 10 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.155 0.151 25268
1047 1 10 . 1 1 18 18 ALA H H 18 7.874 7.874 7.867 0.007 25268
1048 1 10 . 1 1 19 19 MET N N 19 116.847 116.847 117.608 -0.761 25268
1049 1 10 . 1 1 19 19 MET HA H 19 4.192 4.192 4.156 0.036 25268
1050 1 10 . 1 1 19 19 MET CA C 19 58.650 58.650 57.740 0.910 25268
1051 1 10 . 1 1 19 19 MET CB C 19 33.413 33.413 31.645 1.768 25268
1052 1 10 . 1 1 19 19 MET H H 19 8.174 8.174 7.673 0.501 25268
1053 1 10 . 1 1 20 20 LEU N N 20 117.531 117.531 119.219 -1.688 25268
1054 1 10 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.099 0.172 25268
1055 1 10 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.626 -0.748 25268
1056 1 10 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.187 0.713 25268
1057 1 10 . 1 1 20 20 LEU H H 20 8.178 8.178 8.338 -0.160 25268
1058 1 10 . 1 1 21 21 GLY N N 21 105.942 105.942 106.292 -0.350 25268
1059 1 10 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.416 -1.016 25268
1060 1 10 . 1 1 21 21 GLY H H 21 8.006 8.006 8.540 -0.534 25268
1061 1 10 . 1 1 22 22 SER N N 22 115.031 115.031 115.706 -0.675 25268
1062 1 10 . 1 1 22 22 SER HA H 22 4.273 4.273 4.440 -0.167 25268
1063 1 10 . 1 1 22 22 SER CA C 22 59.500 59.500 60.653 -1.153 25268
1064 1 10 . 1 1 22 22 SER CB C 22 63.580 63.580 63.630 -0.049 25268
1065 1 10 . 1 1 22 22 SER H H 22 7.859 7.859 7.447 0.412 25268
1066 1 10 . 1 1 23 23 PHE N N 23 119.803 119.803 121.610 -1.807 25268
1067 1 10 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.294 0.327 25268
1068 1 10 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.211 -2.111 25268
1069 1 10 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.957 -0.287 25268
1070 1 10 . 1 1 23 23 PHE H H 23 7.837 7.837 8.087 -0.250 25268
1071 1 10 . 1 1 24 24 ARG N N 24 120.811 120.811 116.534 4.277 25268
1072 1 10 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.921 0.445 25268
1073 1 10 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.779 -0.799 25268
1074 1 10 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.574 3.578 25268
1075 1 10 . 1 1 24 24 ARG H H 24 7.886 7.886 8.614 -0.728 25268
1076 1 10 . 1 1 25 25 LYS N N 25 123.162 123.162 113.763 9.399 25268
1077 1 10 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.110 0.290 25268
1078 1 10 . 1 1 25 25 LYS CA C 25 56.200 56.200 57.098 -0.898 25268
1079 1 10 . 1 1 25 25 LYS CB C 25 33.300 33.300 30.644 2.656 25268
1080 1 10 . 1 1 25 25 LYS H H 25 8.359 8.359 8.393 -0.034 25268
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 21 2.480 0.371 2.513 25268
2 1 1 "Average Difference" HA 25 0.229 -0.124 0.197 25268
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25268
4 1 1 "Average Difference" CA 24 1.176 0.147 1.192 25268
5 1 1 "Average Difference" CB 21 1.060 -0.509 0.953 25268
6 1 1 "Average Difference" HN 21 0.441 -0.064 0.447 25268
7 1 2 "Average Difference" N 21 2.082 -0.006 2.134 25268
8 1 2 "Average Difference" HA 25 0.289 -0.062 0.288 25268
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25268
10 1 2 "Average Difference" CA 24 1.127 -0.132 1.143 25268
11 1 2 "Average Difference" CB 21 1.246 -0.523 1.159 25268
12 1 2 "Average Difference" HN 21 0.482 0.021 0.494 25268
13 1 3 "Average Difference" N 21 2.720 -0.220 2.778 25268
14 1 3 "Average Difference" HA 25 0.268 -0.164 0.217 25268
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25268
16 1 3 "Average Difference" CA 24 1.182 0.115 1.202 25268
17 1 3 "Average Difference" CB 21 1.062 -0.745 0.776 25268
18 1 3 "Average Difference" HN 21 0.422 0.020 0.432 25268
19 1 4 "Average Difference" N 21 2.387 0.316 2.424 25268
20 1 4 "Average Difference" HA 25 0.243 -0.148 0.197 25268
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25268
22 1 4 "Average Difference" CA 24 1.315 -0.006 1.343 25268
23 1 4 "Average Difference" CB 21 1.112 -0.744 0.846 25268
24 1 4 "Average Difference" HN 21 0.402 0.022 0.412 25268
25 1 5 "Average Difference" N 21 2.691 -0.174 2.752 25268
26 1 5 "Average Difference" HA 25 0.266 -0.076 0.260 25268
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25268
28 1 5 "Average Difference" CA 24 1.261 0.068 1.286 25268
29 1 5 "Average Difference" CB 21 1.098 -0.387 1.053 25268
30 1 5 "Average Difference" HN 21 0.500 0.050 0.510 25268
31 1 6 "Average Difference" N 21 3.020 0.354 3.074 25268
32 1 6 "Average Difference" HA 25 0.259 -0.138 0.224 25268
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25268
34 1 6 "Average Difference" CA 24 1.029 -0.069 1.048 25268
35 1 6 "Average Difference" CB 21 1.126 -0.355 1.095 25268
36 1 6 "Average Difference" HN 21 0.419 -0.098 0.418 25268
37 1 7 "Average Difference" N 21 1.977 0.015 2.026 25268
38 1 7 "Average Difference" HA 25 0.223 -0.108 0.199 25268
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25268
40 1 7 "Average Difference" CA 24 1.196 -0.111 1.216 25268
41 1 7 "Average Difference" CB 21 1.016 -0.582 0.853 25268
42 1 7 "Average Difference" HN 21 0.550 -0.095 0.555 25268
43 1 8 "Average Difference" N 21 2.143 0.226 2.184 25268
44 1 8 "Average Difference" HA 25 0.205 -0.112 0.175 25268
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25268
46 1 8 "Average Difference" CA 24 1.057 0.027 1.079 25268
47 1 8 "Average Difference" CB 21 1.046 -0.535 0.921 25268
48 1 8 "Average Difference" HN 21 0.440 -0.053 0.447 25268
49 1 9 "Average Difference" N 21 2.867 -0.491 2.894 25268
50 1 9 "Average Difference" HA 25 0.299 -0.066 0.298 25268
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25268
52 1 9 "Average Difference" CA 24 1.166 -0.022 1.191 25268
53 1 9 "Average Difference" CB 21 1.066 -0.483 0.974 25268
54 1 9 "Average Difference" HN 21 0.415 -0.073 0.419 25268
55 1 10 "Average Difference" N 21 2.754 -0.583 2.758 25268
56 1 10 "Average Difference" HA 25 0.262 -0.135 0.229 25268
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25268
58 1 10 "Average Difference" CA 24 1.132 0.027 1.156 25268
59 1 10 "Average Difference" CB 21 1.392 -0.852 1.128 25268
60 1 10 "Average Difference" HN 21 0.549 -0.133 0.546 25268
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 25268
_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 LYS HA H 2 4.400 4.400 4.254 0.146 25268
2 1 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.449 -0.249 25268
3 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.027 0.273 25268
4 1 . 1 1 3 3 PHE N N 3 120.647 120.647 120.405 0.242 25268
5 1 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.555 -0.001 25268
6 1 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.561 0.519 25268
7 1 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.230 0.925 25268
8 1 . 1 1 3 3 PHE H H 3 8.333 8.333 7.911 0.422 25268
9 1 . 1 1 4 4 TYR N N 4 119.545 119.545 119.835 -0.290 25268
10 1 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.573 -0.089 25268
11 1 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.625 0.475 25268
12 1 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.999 -0.299 25268
13 1 . 1 1 4 4 TYR H H 4 7.835 7.835 7.780 0.055 25268
14 1 . 1 1 5 5 THR N N 5 113.849 113.849 112.590 1.259 25268
15 1 . 1 1 5 5 THR HA H 5 4.327 4.327 4.208 0.119 25268
16 1 . 1 1 5 5 THR CA C 5 62.200 62.200 62.669 -0.469 25268
17 1 . 1 1 5 5 THR CB C 5 69.500 69.500 68.861 0.639 25268
18 1 . 1 1 5 5 THR H H 5 7.921 7.921 8.300 -0.379 25268
19 1 . 1 1 6 6 ILE N N 6 121.812 121.812 121.412 0.400 25268
20 1 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.225 0.017 25268
21 1 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.702 0.198 25268
22 1 . 1 1 6 6 ILE CB C 6 39.278 39.278 39.790 -0.512 25268
23 1 . 1 1 6 6 ILE H H 6 7.877 7.877 7.694 0.183 25268
24 1 . 1 1 7 7 LYS N N 7 124.588 124.588 124.210 0.378 25268
25 1 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.286 0.180 25268
26 1 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.474 -0.274 25268
27 1 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.514 1.786 25268
28 1 . 1 1 7 7 LYS H H 7 8.210 8.210 8.434 -0.224 25268
29 1 . 1 1 8 8 LEU N N 8 123.110 123.110 117.928 5.182 25268
30 1 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.396 0.112 25268
31 1 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.050 0.850 25268
32 1 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.752 1.048 25268
33 1 . 1 1 8 8 LEU H H 8 8.421 8.421 7.402 1.019 25268
34 1 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.563 -0.112 25268
35 1 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.831 0.969 25268
36 1 . 1 1 9 9 PRO CB C 9 31.900 31.900 31.423 0.478 25268
37 1 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.995 0.104 25268
38 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.459 2.741 25268
39 1 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.409 0.991 25268
40 1 . 1 1 11 11 PHE N N 11 117.741 117.741 121.200 -3.459 25268
41 1 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.134 0.440 25268
42 1 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.339 -1.693 25268
43 1 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.934 -0.234 25268
44 1 . 1 1 11 11 PHE H H 11 8.385 8.385 8.190 0.195 25268
45 1 . 1 1 12 12 LEU N N 12 118.903 118.903 119.036 -0.133 25268
46 1 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.211 -0.166 25268
47 1 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.708 -0.773 25268
48 1 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.829 1.329 25268
49 1 . 1 1 12 12 LEU H H 12 7.717 7.717 8.302 -0.585 25268
50 1 . 1 1 13 13 GLY N N 13 106.373 106.373 107.479 -1.106 25268
51 1 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.222 0.322 25268
52 1 . 1 1 13 13 GLY H H 13 8.402 8.402 8.380 0.022 25268
53 1 . 1 1 14 14 GLY N N 14 108.291 108.291 109.245 -0.954 25268
54 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.840 1.160 25268
55 1 . 1 1 14 14 GLY H H 14 8.110 8.110 7.836 0.274 25268
56 1 . 1 1 15 15 ILE N N 15 121.990 121.990 122.310 -0.320 25268
57 1 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.742 0.119 25268
58 1 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.692 -0.122 25268
59 1 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.154 -0.303 25268
60 1 . 1 1 15 15 ILE H H 15 7.723 7.723 7.763 -0.040 25268
61 1 . 1 1 16 16 VAL N N 16 119.530 119.530 119.874 -0.344 25268
62 1 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.617 -0.005 25268
63 1 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.280 0.920 25268
64 1 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.569 -0.227 25268
65 1 . 1 1 16 16 VAL H H 16 8.049 8.049 8.470 -0.421 25268
66 1 . 1 1 17 17 ARG N N 17 118.293 118.293 119.181 -0.888 25268
67 1 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.058 -0.096 25268
68 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.128 0.972 25268
69 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.494 0.607 25268
70 1 . 1 1 17 17 ARG H H 17 8.247 8.247 7.904 0.343 25268
71 1 . 1 1 18 18 ALA N N 18 121.103 121.103 123.066 -1.963 25268
72 1 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.094 0.132 25268
73 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.982 -0.282 25268
74 1 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.110 0.196 25268
75 1 . 1 1 18 18 ALA H H 18 7.874 7.874 7.914 -0.040 25268
76 1 . 1 1 19 19 MET N N 19 116.847 116.847 117.453 -0.606 25268
77 1 . 1 1 19 19 MET HA H 19 4.192 4.192 4.148 0.044 25268
78 1 . 1 1 19 19 MET CA C 19 58.650 58.650 57.885 0.765 25268
79 1 . 1 1 19 19 MET CB C 19 33.413 33.413 31.649 1.764 25268
80 1 . 1 1 19 19 MET H H 19 8.174 8.174 7.719 0.455 25268
81 1 . 1 1 20 20 LEU N N 20 117.531 117.531 119.044 -1.513 25268
82 1 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.069 0.202 25268
83 1 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.591 -0.713 25268
84 1 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.276 0.624 25268
85 1 . 1 1 20 20 LEU H H 20 8.178 8.178 8.182 -0.004 25268
86 1 . 1 1 21 21 GLY N N 21 105.942 105.942 105.861 0.081 25268
87 1 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.223 -0.823 25268
88 1 . 1 1 21 21 GLY H H 21 8.006 8.006 8.592 -0.585 25268
89 1 . 1 1 22 22 SER N N 22 115.031 115.031 116.207 -1.176 25268
90 1 . 1 1 22 22 SER HA H 22 4.273 4.273 4.408 -0.135 25268
91 1 . 1 1 22 22 SER CA C 22 59.500 59.500 60.460 -0.960 25268
92 1 . 1 1 22 22 SER CB C 22 63.580 63.580 63.542 0.038 25268
93 1 . 1 1 22 22 SER H H 22 7.859 7.859 7.630 0.229 25268
94 1 . 1 1 23 23 PHE N N 23 119.803 119.803 121.667 -1.864 25268
95 1 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.255 0.366 25268
96 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.339 -2.239 25268
97 1 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.744 -0.074 25268
98 1 . 1 1 23 23 PHE H H 23 7.837 7.837 7.836 0.001 25268
99 1 . 1 1 24 24 ARG N N 24 120.811 120.811 116.865 3.946 25268
100 1 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.019 0.347 25268
101 1 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.793 -0.813 25268
102 1 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.910 2.242 25268
103 1 . 1 1 24 24 ARG H H 24 7.886 7.886 8.130 -0.244 25268
104 1 . 1 1 25 25 LYS N N 25 123.162 123.162 119.633 3.529 25268
105 1 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.146 0.254 25268
106 1 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.786 -0.586 25268
107 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.593 0.707 25268
108 1 . 1 1 25 25 LYS H H 25 8.359 8.359 8.189 0.170 25268
stop_
save_