data_26065
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26065
_Entry.PDB_ID 2NDM
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 26065
_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 N N 2 121.270 121.270 122.813 -1.543 26065
2 1 1 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.800 -0.161 26065
3 1 1 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.092 1.479 26065
4 1 1 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.929 -1.075 26065
5 1 1 . 1 1 2 2 ARG H H 2 7.878 7.878 8.164 -0.286 26065
6 1 1 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.253 -0.045 26065
7 1 1 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.893 0.440 26065
8 1 1 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.701 0.217 26065
9 1 1 . 1 1 4 4 CYS N N 4 121.206 121.206 124.524 -3.318 26065
10 1 1 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.512 0.231 26065
11 1 1 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.890 -3.918 26065
12 1 1 . 1 1 4 4 CYS CB C 4 41.267 41.267 27.184 14.083 26065
13 1 1 . 1 1 4 4 CYS H H 4 8.565 8.565 8.084 0.481 26065
14 1 1 . 1 1 5 5 TYR N N 5 124.390 124.390 127.698 -3.308 26065
15 1 1 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.731 -0.042 26065
16 1 1 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.637 1.610 26065
17 1 1 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.390 -0.430 26065
18 1 1 . 1 1 5 5 TYR H H 5 8.852 8.852 8.520 0.332 26065
19 1 1 . 1 1 6 6 THR N N 6 111.964 111.964 115.314 -3.350 26065
20 1 1 . 1 1 6 6 THR HA H 6 4.425 4.425 4.598 -0.173 26065
21 1 1 . 1 1 6 6 THR CA C 6 60.849 60.849 60.489 0.360 26065
22 1 1 . 1 1 6 6 THR CB C 6 70.175 70.175 70.517 -0.342 26065
23 1 1 . 1 1 6 6 THR H H 6 7.853 7.853 8.217 -0.364 26065
24 1 1 . 1 1 7 7 LEU N N 7 121.124 121.124 121.042 0.082 26065
25 1 1 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.225 -0.101 26065
26 1 1 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.963 -0.180 26065
27 1 1 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.063 -0.775 26065
28 1 1 . 1 1 7 7 LEU H H 7 8.478 8.478 8.576 -0.098 26065
29 1 1 . 1 1 8 8 GLN N N 8 117.241 117.241 116.626 0.615 26065
30 1 1 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.326 0.020 26065
31 1 1 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.777 1.255 26065
32 1 1 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.597 0.759 26065
33 1 1 . 1 1 8 8 GLN H H 8 8.181 8.181 7.987 0.194 26065
34 1 1 . 1 1 9 9 SER N N 9 115.119 115.119 114.142 0.977 26065
35 1 1 . 1 1 9 9 SER HA H 9 4.342 4.342 3.940 0.402 26065
36 1 1 . 1 1 9 9 SER CA C 9 57.892 57.892 58.466 -0.574 26065
37 1 1 . 1 1 9 9 SER CB C 9 62.875 62.875 62.299 0.576 26065
38 1 1 . 1 1 9 9 SER H H 9 8.225 8.225 7.525 0.700 26065
39 1 1 . 1 1 10 10 CYS N N 10 121.827 121.827 122.212 -0.385 26065
40 1 1 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.200 0.588 26065
41 1 1 . 1 1 10 10 CYS CA C 10 54.408 54.408 59.463 -5.055 26065
42 1 1 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.547 11.327 26065
43 1 1 . 1 1 10 10 CYS H H 10 8.335 8.335 7.930 0.405 26065
44 1 1 . 1 1 11 11 PHE N N 11 127.041 127.041 124.893 2.148 26065
45 1 1 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.740 0.008 26065
46 1 1 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.042 1.127 26065
47 1 1 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.729 1.169 26065
48 1 1 . 1 1 11 11 PHE H H 11 8.940 8.940 8.382 0.558 26065
49 1 1 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.580 0.179 26065
50 1 1 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.865 0.486 26065
51 1 1 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.036 -3.851 26065
52 1 2 . 1 1 2 2 ARG N N 2 121.270 121.270 122.811 -1.541 26065
53 1 2 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.726 -0.087 26065
54 1 2 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.351 0.220 26065
55 1 2 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.240 -1.386 26065
56 1 2 . 1 1 2 2 ARG H H 2 7.878 7.878 8.064 -0.186 26065
57 1 2 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.340 -0.132 26065
58 1 2 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.150 0.183 26065
59 1 2 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.968 -0.050 26065
60 1 2 . 1 1 4 4 CYS N N 4 121.206 121.206 124.890 -3.684 26065
61 1 2 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.634 0.109 26065
62 1 2 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.893 -3.921 26065
63 1 2 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.640 14.627 26065
64 1 2 . 1 1 4 4 CYS H H 4 8.565 8.565 8.206 0.359 26065
65 1 2 . 1 1 5 5 TYR N N 5 124.390 124.390 128.376 -3.986 26065
66 1 2 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.733 -0.044 26065
67 1 2 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.656 0.591 26065
68 1 2 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.996 -0.036 26065
69 1 2 . 1 1 5 5 TYR H H 5 8.852 8.852 8.665 0.187 26065
70 1 2 . 1 1 6 6 THR N N 6 111.964 111.964 114.986 -3.022 26065
71 1 2 . 1 1 6 6 THR HA H 6 4.425 4.425 4.699 -0.274 26065
72 1 2 . 1 1 6 6 THR CA C 6 60.849 60.849 59.990 0.859 26065
73 1 2 . 1 1 6 6 THR CB C 6 70.175 70.175 70.769 -0.594 26065
74 1 2 . 1 1 6 6 THR H H 6 7.853 7.853 8.227 -0.374 26065
75 1 2 . 1 1 7 7 LEU N N 7 121.124 121.124 121.056 0.068 26065
76 1 2 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.163 -0.039 26065
77 1 2 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.958 -0.175 26065
78 1 2 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.917 -0.629 26065
79 1 2 . 1 1 7 7 LEU H H 7 8.478 8.478 8.567 -0.089 26065
80 1 2 . 1 1 8 8 GLN N N 8 117.241 117.241 116.818 0.423 26065
81 1 2 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.465 -0.119 26065
82 1 2 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.056 0.976 26065
83 1 2 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.472 0.884 26065
84 1 2 . 1 1 8 8 GLN H H 8 8.181 8.181 8.191 -0.010 26065
85 1 2 . 1 1 9 9 SER N N 9 115.119 115.119 112.892 2.227 26065
86 1 2 . 1 1 9 9 SER HA H 9 4.342 4.342 4.012 0.330 26065
87 1 2 . 1 1 9 9 SER CA C 9 57.892 57.892 58.814 -0.922 26065
88 1 2 . 1 1 9 9 SER CB C 9 62.875 62.875 60.991 1.884 26065
89 1 2 . 1 1 9 9 SER H H 9 8.225 8.225 7.695 0.530 26065
90 1 2 . 1 1 10 10 CYS N N 10 121.827 121.827 118.463 3.364 26065
91 1 2 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.505 0.283 26065
92 1 2 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.775 -4.367 26065
93 1 2 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.440 12.434 26065
94 1 2 . 1 1 10 10 CYS H H 10 8.335 8.335 7.792 0.543 26065
95 1 2 . 1 1 11 11 PHE N N 11 127.041 127.041 123.331 3.710 26065
96 1 2 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.448 0.300 26065
97 1 2 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.203 -0.034 26065
98 1 2 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.584 1.314 26065
99 1 2 . 1 1 11 11 PHE H H 11 8.940 8.940 8.543 0.397 26065
100 1 2 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.480 0.279 26065
101 1 2 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.734 0.617 26065
102 1 2 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.264 -4.079 26065
103 1 3 . 1 1 2 2 ARG N N 2 121.270 121.270 122.929 -1.659 26065
104 1 3 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.779 -0.140 26065
105 1 3 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.308 1.263 26065
106 1 3 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.600 -1.746 26065
107 1 3 . 1 1 2 2 ARG H H 2 7.878 7.878 8.023 -0.145 26065
108 1 3 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.407 -0.200 26065
109 1 3 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.857 0.476 26065
110 1 3 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.982 -0.064 26065
111 1 3 . 1 1 4 4 CYS N N 4 121.206 121.206 121.301 -0.095 26065
112 1 3 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.556 0.187 26065
113 1 3 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.901 -2.929 26065
114 1 3 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.763 11.504 26065
115 1 3 . 1 1 4 4 CYS H H 4 8.565 8.565 8.140 0.425 26065
116 1 3 . 1 1 5 5 TYR N N 5 124.390 124.390 123.609 0.781 26065
117 1 3 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.823 -0.134 26065
118 1 3 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.754 0.493 26065
119 1 3 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.476 -0.516 26065
120 1 3 . 1 1 5 5 TYR H H 5 8.852 8.852 8.331 0.521 26065
121 1 3 . 1 1 6 6 THR N N 6 111.964 111.964 115.096 -3.132 26065
122 1 3 . 1 1 6 6 THR HA H 6 4.425 4.425 4.585 -0.160 26065
123 1 3 . 1 1 6 6 THR CA C 6 60.849 60.849 60.901 -0.052 26065
124 1 3 . 1 1 6 6 THR CB C 6 70.175 70.175 70.258 -0.083 26065
125 1 3 . 1 1 6 6 THR H H 6 7.853 7.853 8.325 -0.472 26065
126 1 3 . 1 1 7 7 LEU N N 7 121.124 121.124 120.514 0.610 26065
127 1 3 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.412 -0.288 26065
128 1 3 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.523 0.260 26065
129 1 3 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.447 -0.159 26065
130 1 3 . 1 1 7 7 LEU H H 7 8.478 8.478 8.391 0.087 26065
131 1 3 . 1 1 8 8 GLN N N 8 117.241 117.241 118.257 -1.016 26065
132 1 3 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.442 -0.096 26065
133 1 3 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.998 1.034 26065
134 1 3 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.879 0.477 26065
135 1 3 . 1 1 8 8 GLN H H 8 8.181 8.181 8.089 0.092 26065
136 1 3 . 1 1 9 9 SER N N 9 115.119 115.119 114.805 0.314 26065
137 1 3 . 1 1 9 9 SER HA H 9 4.342 4.342 4.168 0.174 26065
138 1 3 . 1 1 9 9 SER CA C 9 57.892 57.892 59.294 -1.402 26065
139 1 3 . 1 1 9 9 SER CB C 9 62.875 62.875 61.985 0.890 26065
140 1 3 . 1 1 9 9 SER H H 9 8.225 8.225 8.040 0.185 26065
141 1 3 . 1 1 10 10 CYS N N 10 121.827 121.827 120.166 1.661 26065
142 1 3 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.735 0.053 26065
143 1 3 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.244 -2.836 26065
144 1 3 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.308 11.566 26065
145 1 3 . 1 1 10 10 CYS H H 10 8.335 8.335 8.047 0.288 26065
146 1 3 . 1 1 11 11 PHE N N 11 127.041 127.041 121.776 5.265 26065
147 1 3 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.638 0.110 26065
148 1 3 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.646 0.523 26065
149 1 3 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.910 0.988 26065
150 1 3 . 1 1 11 11 PHE H H 11 8.940 8.940 8.564 0.376 26065
151 1 3 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.478 0.281 26065
152 1 3 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.874 0.477 26065
153 1 3 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.676 -3.491 26065
154 1 4 . 1 1 2 2 ARG N N 2 121.270 121.270 122.991 -1.721 26065
155 1 4 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.769 -0.130 26065
156 1 4 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.266 1.305 26065
157 1 4 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.475 -1.621 26065
158 1 4 . 1 1 2 2 ARG H H 2 7.878 7.878 7.942 -0.064 26065
159 1 4 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.417 -0.209 26065
160 1 4 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.853 0.480 26065
161 1 4 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.038 -0.120 26065
162 1 4 . 1 1 4 4 CYS N N 4 121.206 121.206 120.372 0.834 26065
163 1 4 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.639 0.104 26065
164 1 4 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.058 -3.086 26065
165 1 4 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.852 11.415 26065
166 1 4 . 1 1 4 4 CYS H H 4 8.565 8.565 8.146 0.419 26065
167 1 4 . 1 1 5 5 TYR N N 5 124.390 124.390 123.028 1.362 26065
168 1 4 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.785 -0.096 26065
169 1 4 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.855 0.392 26065
170 1 4 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.344 0.616 26065
171 1 4 . 1 1 5 5 TYR H H 5 8.852 8.852 8.411 0.441 26065
172 1 4 . 1 1 6 6 THR N N 6 111.964 111.964 115.543 -3.579 26065
173 1 4 . 1 1 6 6 THR HA H 6 4.425 4.425 4.659 -0.234 26065
174 1 4 . 1 1 6 6 THR CA C 6 60.849 60.849 60.617 0.232 26065
175 1 4 . 1 1 6 6 THR CB C 6 70.175 70.175 71.184 -1.009 26065
176 1 4 . 1 1 6 6 THR H H 6 7.853 7.853 8.313 -0.460 26065
177 1 4 . 1 1 7 7 LEU N N 7 121.124 121.124 121.630 -0.506 26065
178 1 4 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.437 -0.313 26065
179 1 4 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.269 0.514 26065
180 1 4 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.210 -0.922 26065
181 1 4 . 1 1 7 7 LEU H H 7 8.478 8.478 8.418 0.060 26065
182 1 4 . 1 1 8 8 GLN N N 8 117.241 117.241 117.872 -0.631 26065
183 1 4 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.407 -0.061 26065
184 1 4 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.028 1.004 26065
185 1 4 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.607 0.749 26065
186 1 4 . 1 1 8 8 GLN H H 8 8.181 8.181 8.164 0.017 26065
187 1 4 . 1 1 9 9 SER N N 9 115.119 115.119 114.442 0.677 26065
188 1 4 . 1 1 9 9 SER HA H 9 4.342 4.342 4.034 0.308 26065
189 1 4 . 1 1 9 9 SER CA C 9 57.892 57.892 58.423 -0.531 26065
190 1 4 . 1 1 9 9 SER CB C 9 62.875 62.875 63.068 -0.193 26065
191 1 4 . 1 1 9 9 SER H H 9 8.225 8.225 7.847 0.378 26065
192 1 4 . 1 1 10 10 CYS N N 10 121.827 121.827 124.454 -2.627 26065
193 1 4 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.810 -0.022 26065
194 1 4 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.786 -3.378 26065
195 1 4 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.962 10.912 26065
196 1 4 . 1 1 10 10 CYS H H 10 8.335 8.335 8.003 0.332 26065
197 1 4 . 1 1 11 11 PHE N N 11 127.041 127.041 126.407 0.634 26065
198 1 4 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.674 0.074 26065
199 1 4 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.713 0.456 26065
200 1 4 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.379 0.519 26065
201 1 4 . 1 1 11 11 PHE H H 11 8.940 8.940 8.699 0.241 26065
202 1 4 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.388 0.371 26065
203 1 4 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.958 0.393 26065
204 1 4 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.304 -3.119 26065
205 1 5 . 1 1 2 2 ARG N N 2 121.270 121.270 122.971 -1.701 26065
206 1 5 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.844 -0.205 26065
207 1 5 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.929 1.642 26065
208 1 5 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.781 -0.927 26065
209 1 5 . 1 1 2 2 ARG H H 2 7.878 7.878 7.987 -0.109 26065
210 1 5 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.474 -0.266 26065
211 1 5 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.871 0.462 26065
212 1 5 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.155 -0.237 26065
213 1 5 . 1 1 4 4 CYS N N 4 121.206 121.206 120.256 0.950 26065
214 1 5 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.510 0.233 26065
215 1 5 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.027 -3.055 26065
216 1 5 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.908 11.359 26065
217 1 5 . 1 1 4 4 CYS H H 4 8.565 8.565 8.246 0.319 26065
218 1 5 . 1 1 5 5 TYR N N 5 124.390 124.390 122.738 1.652 26065
219 1 5 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.807 -0.118 26065
220 1 5 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.931 1.316 26065
221 1 5 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.891 1.069 26065
222 1 5 . 1 1 5 5 TYR H H 5 8.852 8.852 8.275 0.577 26065
223 1 5 . 1 1 6 6 THR N N 6 111.964 111.964 115.602 -3.638 26065
224 1 5 . 1 1 6 6 THR HA H 6 4.425 4.425 4.759 -0.334 26065
225 1 5 . 1 1 6 6 THR CA C 6 60.849 60.849 60.594 0.255 26065
226 1 5 . 1 1 6 6 THR CB C 6 70.175 70.175 71.171 -0.996 26065
227 1 5 . 1 1 6 6 THR H H 6 7.853 7.853 8.264 -0.411 26065
228 1 5 . 1 1 7 7 LEU N N 7 121.124 121.124 119.151 1.973 26065
229 1 5 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.583 -0.459 26065
230 1 5 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.038 0.745 26065
231 1 5 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.345 -1.057 26065
232 1 5 . 1 1 7 7 LEU H H 7 8.478 8.478 8.480 -0.002 26065
233 1 5 . 1 1 8 8 GLN N N 8 117.241 117.241 119.260 -2.019 26065
234 1 5 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.374 -0.028 26065
235 1 5 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.258 0.774 26065
236 1 5 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.862 0.494 26065
237 1 5 . 1 1 8 8 GLN H H 8 8.181 8.181 8.240 -0.059 26065
238 1 5 . 1 1 9 9 SER N N 9 115.119 115.119 113.777 1.342 26065
239 1 5 . 1 1 9 9 SER HA H 9 4.342 4.342 3.974 0.368 26065
240 1 5 . 1 1 9 9 SER CA C 9 57.892 57.892 58.587 -0.695 26065
241 1 5 . 1 1 9 9 SER CB C 9 62.875 62.875 62.566 0.309 26065
242 1 5 . 1 1 9 9 SER H H 9 8.225 8.225 7.793 0.432 26065
243 1 5 . 1 1 10 10 CYS N N 10 121.827 121.827 123.141 -1.314 26065
244 1 5 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.578 0.210 26065
245 1 5 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.974 -3.566 26065
246 1 5 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.703 11.171 26065
247 1 5 . 1 1 10 10 CYS H H 10 8.335 8.335 7.966 0.369 26065
248 1 5 . 1 1 11 11 PHE N N 11 127.041 127.041 126.650 0.391 26065
249 1 5 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.761 -0.013 26065
250 1 5 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.737 0.432 26065
251 1 5 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.398 0.500 26065
252 1 5 . 1 1 11 11 PHE H H 11 8.940 8.940 8.578 0.362 26065
253 1 5 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.391 0.368 26065
254 1 5 . 1 1 12 12 PRO CA C 12 63.351 63.351 63.069 0.282 26065
255 1 5 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.268 -3.083 26065
256 1 6 . 1 1 2 2 ARG N N 2 121.270 121.270 122.798 -1.528 26065
257 1 6 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.811 -0.172 26065
258 1 6 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.352 1.219 26065
259 1 6 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.539 -1.685 26065
260 1 6 . 1 1 2 2 ARG H H 2 7.878 7.878 7.872 0.006 26065
261 1 6 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.635 -0.427 26065
262 1 6 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.188 0.145 26065
263 1 6 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.260 -0.341 26065
264 1 6 . 1 1 4 4 CYS N N 4 121.206 121.206 124.226 -3.020 26065
265 1 6 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.710 0.033 26065
266 1 6 . 1 1 4 4 CYS CA C 4 53.972 53.972 58.376 -4.404 26065
267 1 6 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.249 15.018 26065
268 1 6 . 1 1 4 4 CYS H H 4 8.565 8.565 8.514 0.051 26065
269 1 6 . 1 1 5 5 TYR N N 5 124.390 124.390 128.618 -4.228 26065
270 1 6 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.697 -0.008 26065
271 1 6 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.608 0.639 26065
272 1 6 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.081 -0.121 26065
273 1 6 . 1 1 5 5 TYR H H 5 8.852 8.852 8.791 0.061 26065
274 1 6 . 1 1 6 6 THR N N 6 111.964 111.964 115.645 -3.681 26065
275 1 6 . 1 1 6 6 THR HA H 6 4.425 4.425 4.533 -0.108 26065
276 1 6 . 1 1 6 6 THR CA C 6 60.849 60.849 60.442 0.407 26065
277 1 6 . 1 1 6 6 THR CB C 6 70.175 70.175 70.637 -0.462 26065
278 1 6 . 1 1 6 6 THR H H 6 7.853 7.853 8.238 -0.385 26065
279 1 6 . 1 1 7 7 LEU N N 7 121.124 121.124 121.293 -0.169 26065
280 1 6 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.072 0.052 26065
281 1 6 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.752 -0.969 26065
282 1 6 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.059 -0.770 26065
283 1 6 . 1 1 7 7 LEU H H 7 8.478 8.478 8.631 -0.153 26065
284 1 6 . 1 1 8 8 GLN N N 8 117.241 117.241 115.671 1.570 26065
285 1 6 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.207 0.139 26065
286 1 6 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.078 -0.046 26065
287 1 6 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.762 0.594 26065
288 1 6 . 1 1 8 8 GLN H H 8 8.181 8.181 7.975 0.206 26065
289 1 6 . 1 1 9 9 SER N N 9 115.119 115.119 113.613 1.506 26065
290 1 6 . 1 1 9 9 SER HA H 9 4.342 4.342 4.003 0.339 26065
291 1 6 . 1 1 9 9 SER CA C 9 57.892 57.892 57.895 -0.003 26065
292 1 6 . 1 1 9 9 SER CB C 9 62.875 62.875 61.462 1.413 26065
293 1 6 . 1 1 9 9 SER H H 9 8.225 8.225 7.733 0.492 26065
294 1 6 . 1 1 10 10 CYS N N 10 121.827 121.827 117.945 3.882 26065
295 1 6 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.337 0.451 26065
296 1 6 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.580 -3.172 26065
297 1 6 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.973 12.901 26065
298 1 6 . 1 1 10 10 CYS H H 10 8.335 8.335 7.423 0.912 26065
299 1 6 . 1 1 11 11 PHE N N 11 127.041 127.041 121.901 5.140 26065
300 1 6 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.568 0.180 26065
301 1 6 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.339 -0.170 26065
302 1 6 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.057 0.841 26065
303 1 6 . 1 1 11 11 PHE H H 11 8.940 8.940 8.485 0.455 26065
304 1 6 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.720 0.039 26065
305 1 6 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.807 0.544 26065
306 1 6 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.883 -3.698 26065
307 1 7 . 1 1 2 2 ARG N N 2 121.270 121.270 122.783 -1.513 26065
308 1 7 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.631 0.008 26065
309 1 7 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.526 0.045 26065
310 1 7 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.090 -1.236 26065
311 1 7 . 1 1 2 2 ARG H H 2 7.878 7.878 8.136 -0.258 26065
312 1 7 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.190 0.018 26065
313 1 7 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.903 0.430 26065
314 1 7 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.469 0.449 26065
315 1 7 . 1 1 4 4 CYS N N 4 121.206 121.206 124.506 -3.300 26065
316 1 7 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.469 0.274 26065
317 1 7 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.960 -3.988 26065
318 1 7 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.392 14.875 26065
319 1 7 . 1 1 4 4 CYS H H 4 8.565 8.565 8.298 0.267 26065
320 1 7 . 1 1 5 5 TYR N N 5 124.390 124.390 128.160 -3.770 26065
321 1 7 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.759 -0.070 26065
322 1 7 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.226 2.021 26065
323 1 7 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.624 0.336 26065
324 1 7 . 1 1 5 5 TYR H H 5 8.852 8.852 8.460 0.392 26065
325 1 7 . 1 1 6 6 THR N N 6 111.964 111.964 115.008 -3.044 26065
326 1 7 . 1 1 6 6 THR HA H 6 4.425 4.425 4.669 -0.244 26065
327 1 7 . 1 1 6 6 THR CA C 6 60.849 60.849 59.973 0.876 26065
328 1 7 . 1 1 6 6 THR CB C 6 70.175 70.175 70.724 -0.549 26065
329 1 7 . 1 1 6 6 THR H H 6 7.853 7.853 8.331 -0.478 26065
330 1 7 . 1 1 7 7 LEU N N 7 121.124 121.124 120.880 0.244 26065
331 1 7 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.191 -0.067 26065
332 1 7 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.036 -0.253 26065
333 1 7 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.163 0.125 26065
334 1 7 . 1 1 7 7 LEU H H 7 8.478 8.478 8.550 -0.072 26065
335 1 7 . 1 1 8 8 GLN N N 8 117.241 117.241 116.575 0.666 26065
336 1 7 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.341 0.005 26065
337 1 7 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.851 1.181 26065
338 1 7 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.645 0.712 26065
339 1 7 . 1 1 8 8 GLN H H 8 8.181 8.181 8.223 -0.042 26065
340 1 7 . 1 1 9 9 SER N N 9 115.119 115.119 113.927 1.192 26065
341 1 7 . 1 1 9 9 SER HA H 9 4.342 4.342 4.009 0.333 26065
342 1 7 . 1 1 9 9 SER CA C 9 57.892 57.892 58.909 -1.017 26065
343 1 7 . 1 1 9 9 SER CB C 9 62.875 62.875 61.074 1.801 26065
344 1 7 . 1 1 9 9 SER H H 9 8.225 8.225 7.574 0.651 26065
345 1 7 . 1 1 10 10 CYS N N 10 121.827 121.827 118.055 3.772 26065
346 1 7 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.324 0.464 26065
347 1 7 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.617 -3.209 26065
348 1 7 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.305 12.569 26065
349 1 7 . 1 1 10 10 CYS H H 10 8.335 8.335 8.055 0.280 26065
350 1 7 . 1 1 11 11 PHE N N 11 127.041 127.041 122.823 4.218 26065
351 1 7 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.483 0.265 26065
352 1 7 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.979 -0.810 26065
353 1 7 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.744 1.154 26065
354 1 7 . 1 1 11 11 PHE H H 11 8.940 8.940 8.434 0.506 26065
355 1 7 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.477 0.282 26065
356 1 7 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.788 0.563 26065
357 1 7 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.101 -3.916 26065
358 1 8 . 1 1 2 2 ARG N N 2 121.270 121.270 122.706 -1.436 26065
359 1 8 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.759 -0.120 26065
360 1 8 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.293 1.278 26065
361 1 8 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.510 -1.656 26065
362 1 8 . 1 1 2 2 ARG H H 2 7.878 7.878 7.796 0.082 26065
363 1 8 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.248 -0.040 26065
364 1 8 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.895 0.438 26065
365 1 8 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.786 0.132 26065
366 1 8 . 1 1 4 4 CYS N N 4 121.206 121.206 124.684 -3.478 26065
367 1 8 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.559 0.184 26065
368 1 8 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.904 -3.932 26065
369 1 8 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.899 14.368 26065
370 1 8 . 1 1 4 4 CYS H H 4 8.565 8.565 8.034 0.531 26065
371 1 8 . 1 1 5 5 TYR N N 5 124.390 124.390 127.335 -2.945 26065
372 1 8 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.702 -0.013 26065
373 1 8 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.413 0.834 26065
374 1 8 . 1 1 5 5 TYR CB C 5 38.960 38.960 40.078 -1.118 26065
375 1 8 . 1 1 5 5 TYR H H 5 8.852 8.852 8.544 0.308 26065
376 1 8 . 1 1 6 6 THR N N 6 111.964 111.964 115.552 -3.588 26065
377 1 8 . 1 1 6 6 THR HA H 6 4.425 4.425 4.524 -0.099 26065
378 1 8 . 1 1 6 6 THR CA C 6 60.849 60.849 60.683 0.166 26065
379 1 8 . 1 1 6 6 THR CB C 6 70.175 70.175 70.343 -0.168 26065
380 1 8 . 1 1 6 6 THR H H 6 7.853 7.853 8.342 -0.489 26065
381 1 8 . 1 1 7 7 LEU N N 7 121.124 121.124 120.762 0.362 26065
382 1 8 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.235 -0.111 26065
383 1 8 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.080 -0.297 26065
384 1 8 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.101 -0.813 26065
385 1 8 . 1 1 7 7 LEU H H 7 8.478 8.478 8.460 0.018 26065
386 1 8 . 1 1 8 8 GLN N N 8 117.241 117.241 116.855 0.386 26065
387 1 8 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.393 -0.047 26065
388 1 8 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.817 1.215 26065
389 1 8 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.248 1.108 26065
390 1 8 . 1 1 8 8 GLN H H 8 8.181 8.181 8.212 -0.031 26065
391 1 8 . 1 1 9 9 SER N N 9 115.119 115.119 112.470 2.649 26065
392 1 8 . 1 1 9 9 SER HA H 9 4.342 4.342 4.045 0.297 26065
393 1 8 . 1 1 9 9 SER CA C 9 57.892 57.892 58.638 -0.746 26065
394 1 8 . 1 1 9 9 SER CB C 9 62.875 62.875 61.306 1.569 26065
395 1 8 . 1 1 9 9 SER H H 9 8.225 8.225 7.825 0.400 26065
396 1 8 . 1 1 10 10 CYS N N 10 121.827 121.827 121.164 0.663 26065
397 1 8 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.436 0.352 26065
398 1 8 . 1 1 10 10 CYS CA C 10 54.408 54.408 60.344 -5.936 26065
399 1 8 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.362 11.512 26065
400 1 8 . 1 1 10 10 CYS H H 10 8.335 8.335 7.761 0.574 26065
401 1 8 . 1 1 11 11 PHE N N 11 127.041 127.041 124.791 2.250 26065
402 1 8 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.664 0.084 26065
403 1 8 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.787 0.382 26065
404 1 8 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.236 0.662 26065
405 1 8 . 1 1 11 11 PHE H H 11 8.940 8.940 8.611 0.329 26065
406 1 8 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.681 0.078 26065
407 1 8 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.756 0.595 26065
408 1 8 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.754 -3.569 26065
409 1 9 . 1 1 2 2 ARG N N 2 121.270 121.270 122.894 -1.624 26065
410 1 9 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.779 -0.140 26065
411 1 9 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.893 1.678 26065
412 1 9 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.862 -1.008 26065
413 1 9 . 1 1 2 2 ARG H H 2 7.878 7.878 7.844 0.034 26065
414 1 9 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.442 -0.234 26065
415 1 9 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.845 0.488 26065
416 1 9 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.187 -0.269 26065
417 1 9 . 1 1 4 4 CYS N N 4 121.206 121.206 120.512 0.694 26065
418 1 9 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.497 0.246 26065
419 1 9 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.909 -2.937 26065
420 1 9 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.864 11.403 26065
421 1 9 . 1 1 4 4 CYS H H 4 8.565 8.565 8.187 0.378 26065
422 1 9 . 1 1 5 5 TYR N N 5 124.390 124.390 123.050 1.340 26065
423 1 9 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.836 -0.147 26065
424 1 9 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.528 0.719 26065
425 1 9 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.301 0.659 26065
426 1 9 . 1 1 5 5 TYR H H 5 8.852 8.852 8.291 0.561 26065
427 1 9 . 1 1 6 6 THR N N 6 111.964 111.964 114.799 -2.835 26065
428 1 9 . 1 1 6 6 THR HA H 6 4.425 4.425 4.600 -0.175 26065
429 1 9 . 1 1 6 6 THR CA C 6 60.849 60.849 60.764 0.085 26065
430 1 9 . 1 1 6 6 THR CB C 6 70.175 70.175 71.064 -0.889 26065
431 1 9 . 1 1 6 6 THR H H 6 7.853 7.853 8.241 -0.388 26065
432 1 9 . 1 1 7 7 LEU N N 7 121.124 121.124 121.059 0.065 26065
433 1 9 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.358 -0.234 26065
434 1 9 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.103 0.680 26065
435 1 9 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.353 -1.065 26065
436 1 9 . 1 1 7 7 LEU H H 7 8.478 8.478 8.473 0.005 26065
437 1 9 . 1 1 8 8 GLN N N 8 117.241 117.241 118.342 -1.101 26065
438 1 9 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.375 -0.029 26065
439 1 9 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.239 0.793 26065
440 1 9 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.507 0.849 26065
441 1 9 . 1 1 8 8 GLN H H 8 8.181 8.181 8.184 -0.003 26065
442 1 9 . 1 1 9 9 SER N N 9 115.119 115.119 113.121 1.998 26065
443 1 9 . 1 1 9 9 SER HA H 9 4.342 4.342 3.968 0.374 26065
444 1 9 . 1 1 9 9 SER CA C 9 57.892 57.892 58.610 -0.718 26065
445 1 9 . 1 1 9 9 SER CB C 9 62.875 62.875 62.281 0.594 26065
446 1 9 . 1 1 9 9 SER H H 9 8.225 8.225 7.685 0.540 26065
447 1 9 . 1 1 10 10 CYS N N 10 121.827 121.827 123.262 -1.435 26065
448 1 9 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.520 0.268 26065
449 1 9 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.883 -3.475 26065
450 1 9 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.964 10.910 26065
451 1 9 . 1 1 10 10 CYS H H 10 8.335 8.335 7.885 0.450 26065
452 1 9 . 1 1 11 11 PHE N N 11 127.041 127.041 125.610 1.431 26065
453 1 9 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.733 0.015 26065
454 1 9 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.073 1.096 26065
455 1 9 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.786 1.112 26065
456 1 9 . 1 1 11 11 PHE H H 11 8.940 8.940 8.421 0.519 26065
457 1 9 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.499 0.260 26065
458 1 9 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.763 0.588 26065
459 1 9 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.456 -3.271 26065
460 1 10 . 1 1 2 2 ARG N N 2 121.270 121.270 122.811 -1.541 26065
461 1 10 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.726 -0.087 26065
462 1 10 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.351 0.220 26065
463 1 10 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.240 -1.386 26065
464 1 10 . 1 1 2 2 ARG H H 2 7.878 7.878 8.064 -0.186 26065
465 1 10 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.340 -0.132 26065
466 1 10 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.150 0.183 26065
467 1 10 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.968 -0.050 26065
468 1 10 . 1 1 4 4 CYS N N 4 121.206 121.206 124.890 -3.684 26065
469 1 10 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.634 0.109 26065
470 1 10 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.893 -3.921 26065
471 1 10 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.640 14.627 26065
472 1 10 . 1 1 4 4 CYS H H 4 8.565 8.565 8.206 0.359 26065
473 1 10 . 1 1 5 5 TYR N N 5 124.390 124.390 128.376 -3.986 26065
474 1 10 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.733 -0.044 26065
475 1 10 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.656 0.591 26065
476 1 10 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.996 -0.036 26065
477 1 10 . 1 1 5 5 TYR H H 5 8.852 8.852 8.665 0.187 26065
478 1 10 . 1 1 6 6 THR N N 6 111.964 111.964 114.986 -3.022 26065
479 1 10 . 1 1 6 6 THR HA H 6 4.425 4.425 4.699 -0.274 26065
480 1 10 . 1 1 6 6 THR CA C 6 60.849 60.849 59.990 0.859 26065
481 1 10 . 1 1 6 6 THR CB C 6 70.175 70.175 70.769 -0.594 26065
482 1 10 . 1 1 6 6 THR H H 6 7.853 7.853 8.227 -0.374 26065
483 1 10 . 1 1 7 7 LEU N N 7 121.124 121.124 121.056 0.068 26065
484 1 10 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.163 -0.039 26065
485 1 10 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.958 -0.175 26065
486 1 10 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.917 -0.629 26065
487 1 10 . 1 1 7 7 LEU H H 7 8.478 8.478 8.567 -0.089 26065
488 1 10 . 1 1 8 8 GLN N N 8 117.241 117.241 116.818 0.423 26065
489 1 10 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.465 -0.119 26065
490 1 10 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.056 0.976 26065
491 1 10 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.472 0.884 26065
492 1 10 . 1 1 8 8 GLN H H 8 8.181 8.181 8.191 -0.010 26065
493 1 10 . 1 1 9 9 SER N N 9 115.119 115.119 112.892 2.227 26065
494 1 10 . 1 1 9 9 SER HA H 9 4.342 4.342 4.012 0.330 26065
495 1 10 . 1 1 9 9 SER CA C 9 57.892 57.892 58.814 -0.922 26065
496 1 10 . 1 1 9 9 SER CB C 9 62.875 62.875 60.991 1.884 26065
497 1 10 . 1 1 9 9 SER H H 9 8.225 8.225 7.695 0.530 26065
498 1 10 . 1 1 10 10 CYS N N 10 121.827 121.827 118.463 3.364 26065
499 1 10 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.505 0.283 26065
500 1 10 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.775 -4.367 26065
501 1 10 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.440 12.434 26065
502 1 10 . 1 1 10 10 CYS H H 10 8.335 8.335 7.792 0.543 26065
503 1 10 . 1 1 11 11 PHE N N 11 127.041 127.041 123.331 3.710 26065
504 1 10 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.448 0.300 26065
505 1 10 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.203 -0.034 26065
506 1 10 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.584 1.314 26065
507 1 10 . 1 1 11 11 PHE H H 11 8.940 8.940 8.543 0.397 26065
508 1 10 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.480 0.279 26065
509 1 10 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.734 0.617 26065
510 1 10 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.264 -4.079 26065
511 1 11 . 1 1 2 2 ARG N N 2 121.270 121.270 122.944 -1.674 26065
512 1 11 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.833 -0.194 26065
513 1 11 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.448 1.123 26065
514 1 11 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.540 -1.686 26065
515 1 11 . 1 1 2 2 ARG H H 2 7.878 7.878 8.209 -0.331 26065
516 1 11 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.570 -0.362 26065
517 1 11 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.821 0.512 26065
518 1 11 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.408 -0.490 26065
519 1 11 . 1 1 4 4 CYS N N 4 121.206 121.206 123.782 -2.576 26065
520 1 11 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.873 -0.130 26065
521 1 11 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.910 -3.938 26065
522 1 11 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.363 14.904 26065
523 1 11 . 1 1 4 4 CYS H H 4 8.565 8.565 8.633 -0.068 26065
524 1 11 . 1 1 5 5 TYR N N 5 124.390 124.390 129.194 -4.804 26065
525 1 11 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.699 -0.010 26065
526 1 11 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.648 0.599 26065
527 1 11 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.101 0.859 26065
528 1 11 . 1 1 5 5 TYR H H 5 8.852 8.852 8.917 -0.065 26065
529 1 11 . 1 1 6 6 THR N N 6 111.964 111.964 114.978 -3.014 26065
530 1 11 . 1 1 6 6 THR HA H 6 4.425 4.425 4.536 -0.111 26065
531 1 11 . 1 1 6 6 THR CA C 6 60.849 60.849 61.135 -0.286 26065
532 1 11 . 1 1 6 6 THR CB C 6 70.175 70.175 71.138 -0.963 26065
533 1 11 . 1 1 6 6 THR H H 6 7.853 7.853 8.360 -0.507 26065
534 1 11 . 1 1 7 7 LEU N N 7 121.124 121.124 121.765 -0.641 26065
535 1 11 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.069 0.055 26065
536 1 11 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.371 -0.588 26065
537 1 11 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.086 -0.798 26065
538 1 11 . 1 1 7 7 LEU H H 7 8.478 8.478 8.574 -0.096 26065
539 1 11 . 1 1 8 8 GLN N N 8 117.241 117.241 116.256 0.985 26065
540 1 11 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.202 0.144 26065
541 1 11 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.769 0.263 26065
542 1 11 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.126 0.230 26065
543 1 11 . 1 1 8 8 GLN H H 8 8.181 8.181 8.007 0.174 26065
544 1 11 . 1 1 9 9 SER N N 9 115.119 115.119 114.716 0.403 26065
545 1 11 . 1 1 9 9 SER HA H 9 4.342 4.342 4.044 0.298 26065
546 1 11 . 1 1 9 9 SER CA C 9 57.892 57.892 58.206 -0.314 26065
547 1 11 . 1 1 9 9 SER CB C 9 62.875 62.875 61.684 1.191 26065
548 1 11 . 1 1 9 9 SER H H 9 8.225 8.225 7.959 0.266 26065
549 1 11 . 1 1 10 10 CYS N N 10 121.827 121.827 119.514 2.313 26065
550 1 11 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.458 0.330 26065
551 1 11 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.709 -3.301 26065
552 1 11 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.407 12.467 26065
553 1 11 . 1 1 10 10 CYS H H 10 8.335 8.335 7.845 0.490 26065
554 1 11 . 1 1 11 11 PHE N N 11 127.041 127.041 122.156 4.885 26065
555 1 11 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.407 0.341 26065
556 1 11 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.493 -1.324 26065
557 1 11 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.958 0.940 26065
558 1 11 . 1 1 11 11 PHE H H 11 8.940 8.940 8.649 0.291 26065
559 1 11 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.561 0.198 26065
560 1 11 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.972 0.379 26065
561 1 11 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.894 -3.709 26065
562 1 12 . 1 1 2 2 ARG N N 2 121.270 121.270 122.901 -1.631 26065
563 1 12 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.818 -0.179 26065
564 1 12 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.128 1.443 26065
565 1 12 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.077 -1.223 26065
566 1 12 . 1 1 2 2 ARG H H 2 7.878 7.878 8.202 -0.324 26065
567 1 12 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.317 -0.109 26065
568 1 12 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.434 0.899 26065
569 1 12 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.848 0.070 26065
570 1 12 . 1 1 4 4 CYS N N 4 121.206 121.206 123.495 -2.289 26065
571 1 12 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.630 0.113 26065
572 1 12 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.541 -3.569 26065
573 1 12 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.227 15.040 26065
574 1 12 . 1 1 4 4 CYS H H 4 8.565 8.565 8.303 0.262 26065
575 1 12 . 1 1 5 5 TYR N N 5 124.390 124.390 128.823 -4.433 26065
576 1 12 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.705 -0.016 26065
577 1 12 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.450 1.797 26065
578 1 12 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.582 1.378 26065
579 1 12 . 1 1 5 5 TYR H H 5 8.852 8.852 8.488 0.364 26065
580 1 12 . 1 1 6 6 THR N N 6 111.964 111.964 114.826 -2.862 26065
581 1 12 . 1 1 6 6 THR HA H 6 4.425 4.425 4.516 -0.091 26065
582 1 12 . 1 1 6 6 THR CA C 6 60.849 60.849 61.134 -0.285 26065
583 1 12 . 1 1 6 6 THR CB C 6 70.175 70.175 70.982 -0.807 26065
584 1 12 . 1 1 6 6 THR H H 6 7.853 7.853 8.367 -0.514 26065
585 1 12 . 1 1 7 7 LEU N N 7 121.124 121.124 120.807 0.317 26065
586 1 12 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.118 0.006 26065
587 1 12 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.226 -0.443 26065
588 1 12 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.295 -1.007 26065
589 1 12 . 1 1 7 7 LEU H H 7 8.478 8.478 8.349 0.129 26065
590 1 12 . 1 1 8 8 GLN N N 8 117.241 117.241 116.175 1.066 26065
591 1 12 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.235 0.111 26065
592 1 12 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.938 0.094 26065
593 1 12 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.836 0.520 26065
594 1 12 . 1 1 8 8 GLN H H 8 8.181 8.181 8.163 0.018 26065
595 1 12 . 1 1 9 9 SER N N 9 115.119 115.119 113.842 1.277 26065
596 1 12 . 1 1 9 9 SER HA H 9 4.342 4.342 4.073 0.269 26065
597 1 12 . 1 1 9 9 SER CA C 9 57.892 57.892 58.110 -0.218 26065
598 1 12 . 1 1 9 9 SER CB C 9 62.875 62.875 61.661 1.214 26065
599 1 12 . 1 1 9 9 SER H H 9 8.225 8.225 7.880 0.345 26065
600 1 12 . 1 1 10 10 CYS N N 10 121.827 121.827 118.348 3.479 26065
601 1 12 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.451 0.337 26065
602 1 12 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.942 -3.534 26065
603 1 12 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.747 12.127 26065
604 1 12 . 1 1 10 10 CYS H H 10 8.335 8.335 7.888 0.447 26065
605 1 12 . 1 1 11 11 PHE N N 11 127.041 127.041 122.235 4.806 26065
606 1 12 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.419 0.329 26065
607 1 12 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.477 -1.308 26065
608 1 12 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.923 0.975 26065
609 1 12 . 1 1 11 11 PHE H H 11 8.940 8.940 8.664 0.276 26065
610 1 12 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.450 0.309 26065
611 1 12 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.868 0.483 26065
612 1 12 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.783 -3.598 26065
613 1 13 . 1 1 2 2 ARG N N 2 121.270 121.270 122.962 -1.692 26065
614 1 13 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.854 -0.215 26065
615 1 13 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.026 1.546 26065
616 1 13 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.177 -1.323 26065
617 1 13 . 1 1 2 2 ARG H H 2 7.878 7.878 8.084 -0.206 26065
618 1 13 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.448 -0.240 26065
619 1 13 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.724 0.609 26065
620 1 13 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.241 -0.323 26065
621 1 13 . 1 1 4 4 CYS N N 4 121.206 121.206 118.180 3.026 26065
622 1 13 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.651 0.092 26065
623 1 13 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.135 -3.163 26065
624 1 13 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.210 12.057 26065
625 1 13 . 1 1 4 4 CYS H H 4 8.565 8.565 8.311 0.254 26065
626 1 13 . 1 1 5 5 TYR N N 5 124.390 124.390 124.975 -0.585 26065
627 1 13 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.649 0.040 26065
628 1 13 . 1 1 5 5 TYR CA C 5 58.247 58.247 58.381 -0.134 26065
629 1 13 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.499 1.461 26065
630 1 13 . 1 1 5 5 TYR H H 5 8.852 8.852 8.466 0.386 26065
631 1 13 . 1 1 6 6 THR N N 6 111.964 111.964 116.179 -4.215 26065
632 1 13 . 1 1 6 6 THR HA H 6 4.425 4.425 4.555 -0.130 26065
633 1 13 . 1 1 6 6 THR CA C 6 60.849 60.849 61.111 -0.262 26065
634 1 13 . 1 1 6 6 THR CB C 6 70.175 70.175 70.656 -0.481 26065
635 1 13 . 1 1 6 6 THR H H 6 7.853 7.853 8.394 -0.541 26065
636 1 13 . 1 1 7 7 LEU N N 7 121.124 121.124 121.695 -0.571 26065
637 1 13 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.371 -0.247 26065
638 1 13 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.791 -0.008 26065
639 1 13 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.038 -0.750 26065
640 1 13 . 1 1 7 7 LEU H H 7 8.478 8.478 8.285 0.193 26065
641 1 13 . 1 1 8 8 GLN N N 8 117.241 117.241 117.885 -0.644 26065
642 1 13 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.315 0.031 26065
643 1 13 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.068 -0.036 26065
644 1 13 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.208 0.148 26065
645 1 13 . 1 1 8 8 GLN H H 8 8.181 8.181 8.280 -0.099 26065
646 1 13 . 1 1 9 9 SER N N 9 115.119 115.119 114.385 0.734 26065
647 1 13 . 1 1 9 9 SER HA H 9 4.342 4.342 4.138 0.204 26065
648 1 13 . 1 1 9 9 SER CA C 9 57.892 57.892 58.347 -0.455 26065
649 1 13 . 1 1 9 9 SER CB C 9 62.875 62.875 61.681 1.194 26065
650 1 13 . 1 1 9 9 SER H H 9 8.225 8.225 7.944 0.281 26065
651 1 13 . 1 1 10 10 CYS N N 10 121.827 121.827 120.379 1.448 26065
652 1 13 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.558 0.230 26065
653 1 13 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.442 -3.034 26065
654 1 13 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.224 12.650 26065
655 1 13 . 1 1 10 10 CYS H H 10 8.335 8.335 7.842 0.493 26065
656 1 13 . 1 1 11 11 PHE N N 11 127.041 127.041 122.874 4.167 26065
657 1 13 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.337 0.411 26065
658 1 13 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.219 -1.050 26065
659 1 13 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.666 1.232 26065
660 1 13 . 1 1 11 11 PHE H H 11 8.940 8.940 8.656 0.284 26065
661 1 13 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.405 0.354 26065
662 1 13 . 1 1 12 12 PRO CA C 12 63.351 63.351 63.033 0.318 26065
663 1 13 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.337 -3.152 26065
664 1 14 . 1 1 2 2 ARG N N 2 121.270 121.270 122.860 -1.590 26065
665 1 14 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.728 -0.089 26065
666 1 14 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.356 1.215 26065
667 1 14 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.363 -1.508 26065
668 1 14 . 1 1 2 2 ARG H H 2 7.878 7.878 7.957 -0.079 26065
669 1 14 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.246 -0.038 26065
670 1 14 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.982 0.351 26065
671 1 14 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.746 0.172 26065
672 1 14 . 1 1 4 4 CYS N N 4 121.206 121.206 124.086 -2.880 26065
673 1 14 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.486 0.257 26065
674 1 14 . 1 1 4 4 CYS CA C 4 53.972 53.972 58.021 -4.049 26065
675 1 14 . 1 1 4 4 CYS CB C 4 41.267 41.267 27.303 13.963 26065
676 1 14 . 1 1 4 4 CYS H H 4 8.565 8.565 7.974 0.591 26065
677 1 14 . 1 1 5 5 TYR N N 5 124.390 124.390 126.719 -2.329 26065
678 1 14 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.739 -0.050 26065
679 1 14 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.416 1.831 26065
680 1 14 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.502 -0.542 26065
681 1 14 . 1 1 5 5 TYR H H 5 8.852 8.852 8.372 0.480 26065
682 1 14 . 1 1 6 6 THR N N 6 111.964 111.964 114.923 -2.959 26065
683 1 14 . 1 1 6 6 THR HA H 6 4.425 4.425 4.655 -0.230 26065
684 1 14 . 1 1 6 6 THR CA C 6 60.849 60.849 60.141 0.708 26065
685 1 14 . 1 1 6 6 THR CB C 6 70.175 70.175 70.572 -0.397 26065
686 1 14 . 1 1 6 6 THR H H 6 7.853 7.853 8.339 -0.486 26065
687 1 14 . 1 1 7 7 LEU N N 7 121.124 121.124 121.250 -0.126 26065
688 1 14 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.290 -0.166 26065
689 1 14 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.997 -0.214 26065
690 1 14 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.326 -0.038 26065
691 1 14 . 1 1 7 7 LEU H H 7 8.478 8.478 8.532 -0.054 26065
692 1 14 . 1 1 8 8 GLN N N 8 117.241 117.241 116.915 0.326 26065
693 1 14 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.411 -0.065 26065
694 1 14 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.593 1.439 26065
695 1 14 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.104 1.252 26065
696 1 14 . 1 1 8 8 GLN H H 8 8.181 8.181 8.129 0.052 26065
697 1 14 . 1 1 9 9 SER N N 9 115.119 115.119 114.645 0.474 26065
698 1 14 . 1 1 9 9 SER HA H 9 4.342 4.342 3.972 0.370 26065
699 1 14 . 1 1 9 9 SER CA C 9 57.892 57.892 58.834 -0.942 26065
700 1 14 . 1 1 9 9 SER CB C 9 62.875 62.875 62.392 0.483 26065
701 1 14 . 1 1 9 9 SER H H 9 8.225 8.225 7.529 0.696 26065
702 1 14 . 1 1 10 10 CYS N N 10 121.827 121.827 124.280 -2.453 26065
703 1 14 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.381 0.407 26065
704 1 14 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.858 -4.450 26065
705 1 14 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.523 11.351 26065
706 1 14 . 1 1 10 10 CYS H H 10 8.335 8.335 7.875 0.460 26065
707 1 14 . 1 1 11 11 PHE N N 11 127.041 127.041 124.501 2.540 26065
708 1 14 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.682 0.066 26065
709 1 14 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.528 0.641 26065
710 1 14 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.126 0.772 26065
711 1 14 . 1 1 11 11 PHE H H 11 8.940 8.940 8.326 0.614 26065
712 1 14 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.514 0.245 26065
713 1 14 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.712 0.639 26065
714 1 14 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.659 -3.474 26065
715 1 15 . 1 1 2 2 ARG N N 2 121.270 121.270 122.928 -1.658 26065
716 1 15 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.846 -0.207 26065
717 1 15 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.940 1.631 26065
718 1 15 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.296 -1.442 26065
719 1 15 . 1 1 2 2 ARG H H 2 7.878 7.878 8.117 -0.239 26065
720 1 15 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.400 -0.192 26065
721 1 15 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.629 0.704 26065
722 1 15 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.966 -0.048 26065
723 1 15 . 1 1 4 4 CYS N N 4 121.206 121.206 118.711 2.495 26065
724 1 15 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.651 0.092 26065
725 1 15 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.630 -2.658 26065
726 1 15 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.522 14.745 26065
727 1 15 . 1 1 4 4 CYS H H 4 8.565 8.565 8.318 0.247 26065
728 1 15 . 1 1 5 5 TYR N N 5 124.390 124.390 125.450 -1.060 26065
729 1 15 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.421 0.268 26065
730 1 15 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.203 -0.956 26065
731 1 15 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.446 1.514 26065
732 1 15 . 1 1 5 5 TYR H H 5 8.852 8.852 8.160 0.692 26065
733 1 15 . 1 1 6 6 THR N N 6 111.964 111.964 116.502 -4.538 26065
734 1 15 . 1 1 6 6 THR HA H 6 4.425 4.425 4.590 -0.165 26065
735 1 15 . 1 1 6 6 THR CA C 6 60.849 60.849 60.586 0.263 26065
736 1 15 . 1 1 6 6 THR CB C 6 70.175 70.175 71.074 -0.899 26065
737 1 15 . 1 1 6 6 THR H H 6 7.853 7.853 8.025 -0.172 26065
738 1 15 . 1 1 7 7 LEU N N 7 121.124 121.124 119.512 1.612 26065
739 1 15 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.134 -0.010 26065
740 1 15 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.397 -0.614 26065
741 1 15 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.528 -0.240 26065
742 1 15 . 1 1 7 7 LEU H H 7 8.478 8.478 8.660 -0.182 26065
743 1 15 . 1 1 8 8 GLN N N 8 117.241 117.241 117.875 -0.634 26065
744 1 15 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.172 0.174 26065
745 1 15 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.968 0.064 26065
746 1 15 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.774 0.582 26065
747 1 15 . 1 1 8 8 GLN H H 8 8.181 8.181 7.980 0.201 26065
748 1 15 . 1 1 9 9 SER N N 9 115.119 115.119 113.547 1.572 26065
749 1 15 . 1 1 9 9 SER HA H 9 4.342 4.342 4.162 0.180 26065
750 1 15 . 1 1 9 9 SER CA C 9 57.892 57.892 58.566 -0.674 26065
751 1 15 . 1 1 9 9 SER CB C 9 62.875 62.875 61.291 1.583 26065
752 1 15 . 1 1 9 9 SER H H 9 8.225 8.225 7.888 0.337 26065
753 1 15 . 1 1 10 10 CYS N N 10 121.827 121.827 117.521 4.306 26065
754 1 15 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.550 0.238 26065
755 1 15 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.305 -2.897 26065
756 1 15 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.855 13.019 26065
757 1 15 . 1 1 10 10 CYS H H 10 8.335 8.335 7.597 0.738 26065
758 1 15 . 1 1 11 11 PHE N N 11 127.041 127.041 121.453 5.588 26065
759 1 15 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.527 0.221 26065
760 1 15 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.255 -0.086 26065
761 1 15 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.491 1.407 26065
762 1 15 . 1 1 11 11 PHE H H 11 8.940 8.940 8.799 0.141 26065
763 1 15 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.514 0.245 26065
764 1 15 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.802 0.549 26065
765 1 15 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.627 -3.442 26065
766 1 16 . 1 1 2 2 ARG N N 2 121.270 121.270 122.917 -1.647 26065
767 1 16 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.799 -0.160 26065
768 1 16 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.128 1.443 26065
769 1 16 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.779 -1.925 26065
770 1 16 . 1 1 2 2 ARG H H 2 7.878 7.878 8.111 -0.233 26065
771 1 16 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.404 -0.196 26065
772 1 16 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.640 0.693 26065
773 1 16 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.992 -0.074 26065
774 1 16 . 1 1 4 4 CYS N N 4 121.206 121.206 119.011 2.195 26065
775 1 16 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.707 0.036 26065
776 1 16 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.622 -2.650 26065
777 1 16 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.601 14.666 26065
778 1 16 . 1 1 4 4 CYS H H 4 8.565 8.565 8.299 0.266 26065
779 1 16 . 1 1 5 5 TYR N N 5 124.390 124.390 124.774 -0.384 26065
780 1 16 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.414 0.275 26065
781 1 16 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.236 -0.989 26065
782 1 16 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.544 1.416 26065
783 1 16 . 1 1 5 5 TYR H H 5 8.852 8.852 8.217 0.635 26065
784 1 16 . 1 1 6 6 THR N N 6 111.964 111.964 116.251 -4.287 26065
785 1 16 . 1 1 6 6 THR HA H 6 4.425 4.425 4.549 -0.124 26065
786 1 16 . 1 1 6 6 THR CA C 6 60.849 60.849 60.828 0.021 26065
787 1 16 . 1 1 6 6 THR CB C 6 70.175 70.175 70.960 -0.785 26065
788 1 16 . 1 1 6 6 THR H H 6 7.853 7.853 8.144 -0.291 26065
789 1 16 . 1 1 7 7 LEU N N 7 121.124 121.124 122.354 -1.230 26065
790 1 16 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.033 0.091 26065
791 1 16 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.551 -0.768 26065
792 1 16 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.689 -0.401 26065
793 1 16 . 1 1 7 7 LEU H H 7 8.478 8.478 8.768 -0.290 26065
794 1 16 . 1 1 8 8 GLN N N 8 117.241 117.241 115.917 1.324 26065
795 1 16 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.151 0.195 26065
796 1 16 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.122 -0.090 26065
797 1 16 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.930 0.426 26065
798 1 16 . 1 1 8 8 GLN H H 8 8.181 8.181 8.043 0.138 26065
799 1 16 . 1 1 9 9 SER N N 9 115.119 115.119 113.711 1.408 26065
800 1 16 . 1 1 9 9 SER HA H 9 4.342 4.342 4.103 0.239 26065
801 1 16 . 1 1 9 9 SER CA C 9 57.892 57.892 58.207 -0.315 26065
802 1 16 . 1 1 9 9 SER CB C 9 62.875 62.875 61.383 1.492 26065
803 1 16 . 1 1 9 9 SER H H 9 8.225 8.225 7.944 0.281 26065
804 1 16 . 1 1 10 10 CYS N N 10 121.827 121.827 117.984 3.843 26065
805 1 16 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.432 0.356 26065
806 1 16 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.511 -3.103 26065
807 1 16 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.669 13.205 26065
808 1 16 . 1 1 10 10 CYS H H 10 8.335 8.335 7.674 0.661 26065
809 1 16 . 1 1 11 11 PHE N N 11 127.041 127.041 121.545 5.496 26065
810 1 16 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.507 0.241 26065
811 1 16 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.766 -0.597 26065
812 1 16 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.781 1.117 26065
813 1 16 . 1 1 11 11 PHE H H 11 8.940 8.940 8.637 0.303 26065
814 1 16 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.520 0.239 26065
815 1 16 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.933 0.418 26065
816 1 16 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.550 -3.365 26065
817 1 17 . 1 1 2 2 ARG N N 2 121.270 121.270 122.963 -1.693 26065
818 1 17 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.881 -0.242 26065
819 1 17 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.993 1.578 26065
820 1 17 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.286 -1.432 26065
821 1 17 . 1 1 2 2 ARG H H 2 7.878 7.878 8.157 -0.279 26065
822 1 17 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.450 -0.242 26065
823 1 17 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.706 0.627 26065
824 1 17 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.992 -0.074 26065
825 1 17 . 1 1 4 4 CYS N N 4 121.206 121.206 118.733 2.473 26065
826 1 17 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.807 -0.064 26065
827 1 17 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.768 -2.796 26065
828 1 17 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.573 14.694 26065
829 1 17 . 1 1 4 4 CYS H H 4 8.565 8.565 8.372 0.193 26065
830 1 17 . 1 1 5 5 TYR N N 5 124.390 124.390 125.526 -1.136 26065
831 1 17 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.390 0.299 26065
832 1 17 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.735 -1.488 26065
833 1 17 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.975 0.985 26065
834 1 17 . 1 1 5 5 TYR H H 5 8.852 8.852 8.706 0.146 26065
835 1 17 . 1 1 6 6 THR N N 6 111.964 111.964 116.515 -4.551 26065
836 1 17 . 1 1 6 6 THR HA H 6 4.425 4.425 4.508 -0.083 26065
837 1 17 . 1 1 6 6 THR CA C 6 60.849 60.849 60.944 -0.095 26065
838 1 17 . 1 1 6 6 THR CB C 6 70.175 70.175 70.574 -0.399 26065
839 1 17 . 1 1 6 6 THR H H 6 7.853 7.853 8.030 -0.177 26065
840 1 17 . 1 1 7 7 LEU N N 7 121.124 121.124 122.062 -0.938 26065
841 1 17 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.109 0.015 26065
842 1 17 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.447 -0.664 26065
843 1 17 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.544 -0.256 26065
844 1 17 . 1 1 7 7 LEU H H 7 8.478 8.478 8.696 -0.218 26065
845 1 17 . 1 1 8 8 GLN N N 8 117.241 117.241 116.065 1.176 26065
846 1 17 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.147 0.199 26065
847 1 17 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.715 0.317 26065
848 1 17 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.565 0.791 26065
849 1 17 . 1 1 8 8 GLN H H 8 8.181 8.181 8.078 0.103 26065
850 1 17 . 1 1 9 9 SER N N 9 115.119 115.119 114.028 1.091 26065
851 1 17 . 1 1 9 9 SER HA H 9 4.342 4.342 4.032 0.310 26065
852 1 17 . 1 1 9 9 SER CA C 9 57.892 57.892 58.312 -0.420 26065
853 1 17 . 1 1 9 9 SER CB C 9 62.875 62.875 61.431 1.444 26065
854 1 17 . 1 1 9 9 SER H H 9 8.225 8.225 8.012 0.213 26065
855 1 17 . 1 1 10 10 CYS N N 10 121.827 121.827 117.975 3.852 26065
856 1 17 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.393 0.395 26065
857 1 17 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.486 -3.078 26065
858 1 17 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.660 13.214 26065
859 1 17 . 1 1 10 10 CYS H H 10 8.335 8.335 7.661 0.674 26065
860 1 17 . 1 1 11 11 PHE N N 11 127.041 127.041 121.566 5.475 26065
861 1 17 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.501 0.247 26065
862 1 17 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.729 -0.560 26065
863 1 17 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.836 1.062 26065
864 1 17 . 1 1 11 11 PHE H H 11 8.940 8.940 8.573 0.367 26065
865 1 17 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.587 0.172 26065
866 1 17 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.898 0.453 26065
867 1 17 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.602 -3.417 26065
868 1 18 . 1 1 2 2 ARG N N 2 121.270 121.270 122.909 -1.639 26065
869 1 18 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.738 -0.099 26065
870 1 18 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.140 0.431 26065
871 1 18 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.716 -0.862 26065
872 1 18 . 1 1 2 2 ARG H H 2 7.878 7.878 8.126 -0.248 26065
873 1 18 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.291 -0.083 26065
874 1 18 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.697 0.636 26065
875 1 18 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.930 -0.013 26065
876 1 18 . 1 1 4 4 CYS N N 4 121.206 121.206 123.432 -2.226 26065
877 1 18 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.630 0.113 26065
878 1 18 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.664 -3.692 26065
879 1 18 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.286 14.981 26065
880 1 18 . 1 1 4 4 CYS H H 4 8.565 8.565 8.256 0.309 26065
881 1 18 . 1 1 5 5 TYR N N 5 124.390 124.390 128.401 -4.011 26065
882 1 18 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.846 -0.157 26065
883 1 18 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.035 1.212 26065
884 1 18 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.760 1.200 26065
885 1 18 . 1 1 5 5 TYR H H 5 8.852 8.852 8.609 0.243 26065
886 1 18 . 1 1 6 6 THR N N 6 111.964 111.964 114.700 -2.736 26065
887 1 18 . 1 1 6 6 THR HA H 6 4.425 4.425 4.625 -0.200 26065
888 1 18 . 1 1 6 6 THR CA C 6 60.849 60.849 60.479 0.370 26065
889 1 18 . 1 1 6 6 THR CB C 6 70.175 70.175 70.800 -0.625 26065
890 1 18 . 1 1 6 6 THR H H 6 7.853 7.853 8.223 -0.370 26065
891 1 18 . 1 1 7 7 LEU N N 7 121.124 121.124 121.116 0.008 26065
892 1 18 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.084 0.040 26065
893 1 18 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.532 -0.750 26065
894 1 18 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.985 -0.697 26065
895 1 18 . 1 1 7 7 LEU H H 7 8.478 8.478 8.582 -0.104 26065
896 1 18 . 1 1 8 8 GLN N N 8 117.241 117.241 116.208 1.033 26065
897 1 18 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.274 0.072 26065
898 1 18 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.987 0.045 26065
899 1 18 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.196 0.160 26065
900 1 18 . 1 1 8 8 GLN H H 8 8.181 8.181 8.170 0.011 26065
901 1 18 . 1 1 9 9 SER N N 9 115.119 115.119 113.276 1.843 26065
902 1 18 . 1 1 9 9 SER HA H 9 4.342 4.342 4.120 0.222 26065
903 1 18 . 1 1 9 9 SER CA C 9 57.892 57.892 58.660 -0.768 26065
904 1 18 . 1 1 9 9 SER CB C 9 62.875 62.875 61.296 1.579 26065
905 1 18 . 1 1 9 9 SER H H 9 8.225 8.225 7.974 0.251 26065
906 1 18 . 1 1 10 10 CYS N N 10 121.827 121.827 118.354 3.473 26065
907 1 18 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.480 0.308 26065
908 1 18 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.136 -3.728 26065
909 1 18 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.590 12.284 26065
910 1 18 . 1 1 10 10 CYS H H 10 8.335 8.335 7.900 0.435 26065
911 1 18 . 1 1 11 11 PHE N N 11 127.041 127.041 122.072 4.969 26065
912 1 18 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.422 0.326 26065
913 1 18 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.858 -0.690 26065
914 1 18 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.660 1.238 26065
915 1 18 . 1 1 11 11 PHE H H 11 8.940 8.940 8.730 0.210 26065
916 1 18 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.508 0.251 26065
917 1 18 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.861 0.490 26065
918 1 18 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.746 -3.561 26065
919 1 19 . 1 1 2 2 ARG N N 2 121.270 121.270 122.924 -1.654 26065
920 1 19 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.786 -0.147 26065
921 1 19 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.091 1.480 26065
922 1 19 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.761 -1.907 26065
923 1 19 . 1 1 2 2 ARG H H 2 7.878 7.878 8.092 -0.214 26065
924 1 19 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.386 -0.178 26065
925 1 19 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.626 0.707 26065
926 1 19 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.984 -0.066 26065
927 1 19 . 1 1 4 4 CYS N N 4 121.206 121.206 118.790 2.416 26065
928 1 19 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.682 0.061 26065
929 1 19 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.672 -2.700 26065
930 1 19 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.544 14.723 26065
931 1 19 . 1 1 4 4 CYS H H 4 8.565 8.565 8.324 0.241 26065
932 1 19 . 1 1 5 5 TYR N N 5 124.390 124.390 125.680 -1.290 26065
933 1 19 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.440 0.249 26065
934 1 19 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.318 -1.071 26065
935 1 19 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.745 1.215 26065
936 1 19 . 1 1 5 5 TYR H H 5 8.852 8.852 8.269 0.583 26065
937 1 19 . 1 1 6 6 THR N N 6 111.964 111.964 117.179 -5.215 26065
938 1 19 . 1 1 6 6 THR HA H 6 4.425 4.425 4.483 -0.058 26065
939 1 19 . 1 1 6 6 THR CA C 6 60.849 60.849 60.882 -0.033 26065
940 1 19 . 1 1 6 6 THR CB C 6 70.175 70.175 70.468 -0.293 26065
941 1 19 . 1 1 6 6 THR H H 6 7.853 7.853 8.132 -0.279 26065
942 1 19 . 1 1 7 7 LEU N N 7 121.124 121.124 122.586 -1.462 26065
943 1 19 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.088 0.036 26065
944 1 19 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.844 -1.061 26065
945 1 19 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.787 -0.499 26065
946 1 19 . 1 1 7 7 LEU H H 7 8.478 8.478 8.764 -0.286 26065
947 1 19 . 1 1 8 8 GLN N N 8 117.241 117.241 116.595 0.646 26065
948 1 19 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.196 0.150 26065
949 1 19 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.097 -0.065 26065
950 1 19 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.751 0.605 26065
951 1 19 . 1 1 8 8 GLN H H 8 8.181 8.181 8.079 0.102 26065
952 1 19 . 1 1 9 9 SER N N 9 115.119 115.119 113.465 1.654 26065
953 1 19 . 1 1 9 9 SER HA H 9 4.342 4.342 4.145 0.197 26065
954 1 19 . 1 1 9 9 SER CA C 9 57.892 57.892 58.336 -0.444 26065
955 1 19 . 1 1 9 9 SER CB C 9 62.875 62.875 61.578 1.298 26065
956 1 19 . 1 1 9 9 SER H H 9 8.225 8.225 7.853 0.372 26065
957 1 19 . 1 1 10 10 CYS N N 10 121.827 121.827 117.764 4.063 26065
958 1 19 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.564 0.224 26065
959 1 19 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.394 -2.986 26065
960 1 19 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.878 12.995 26065
961 1 19 . 1 1 10 10 CYS H H 10 8.335 8.335 7.662 0.673 26065
962 1 19 . 1 1 11 11 PHE N N 11 127.041 127.041 121.628 5.413 26065
963 1 19 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.532 0.216 26065
964 1 19 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.985 0.184 26065
965 1 19 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.465 1.433 26065
966 1 19 . 1 1 11 11 PHE H H 11 8.940 8.940 8.762 0.178 26065
967 1 19 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.505 0.254 26065
968 1 19 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.896 0.455 26065
969 1 19 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.514 -3.329 26065
970 1 20 . 1 1 2 2 ARG N N 2 121.270 121.270 123.065 -1.795 26065
971 1 20 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.785 -0.146 26065
972 1 20 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.258 1.313 26065
973 1 20 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.462 -1.608 26065
974 1 20 . 1 1 2 2 ARG H H 2 7.878 7.878 8.025 -0.147 26065
975 1 20 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.432 -0.224 26065
976 1 20 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.613 0.720 26065
977 1 20 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.173 -0.255 26065
978 1 20 . 1 1 4 4 CYS N N 4 121.206 121.206 119.021 2.185 26065
979 1 20 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.503 0.240 26065
980 1 20 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.049 -3.077 26065
981 1 20 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.779 11.488 26065
982 1 20 . 1 1 4 4 CYS H H 4 8.565 8.565 8.198 0.367 26065
983 1 20 . 1 1 5 5 TYR N N 5 124.390 124.390 123.065 1.325 26065
984 1 20 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.819 -0.130 26065
985 1 20 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.713 0.534 26065
986 1 20 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.984 0.976 26065
987 1 20 . 1 1 5 5 TYR H H 5 8.852 8.852 8.297 0.555 26065
988 1 20 . 1 1 6 6 THR N N 6 111.964 111.964 115.870 -3.906 26065
989 1 20 . 1 1 6 6 THR HA H 6 4.425 4.425 4.553 -0.128 26065
990 1 20 . 1 1 6 6 THR CA C 6 60.849 60.849 61.539 -0.690 26065
991 1 20 . 1 1 6 6 THR CB C 6 70.175 70.175 70.588 -0.413 26065
992 1 20 . 1 1 6 6 THR H H 6 7.853 7.853 8.377 -0.524 26065
993 1 20 . 1 1 7 7 LEU N N 7 121.124 121.124 122.147 -1.023 26065
994 1 20 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.384 -0.260 26065
995 1 20 . 1 1 7 7 LEU CA C 7 56.783 56.783 55.811 0.972 26065
996 1 20 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.245 -0.957 26065
997 1 20 . 1 1 7 7 LEU H H 7 8.478 8.478 8.548 -0.070 26065
998 1 20 . 1 1 8 8 GLN N N 8 117.241 117.241 118.478 -1.237 26065
999 1 20 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.350 -0.004 26065
1000 1 20 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.019 1.013 26065
1001 1 20 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.571 0.785 26065
1002 1 20 . 1 1 8 8 GLN H H 8 8.181 8.181 7.917 0.264 26065
1003 1 20 . 1 1 9 9 SER N N 9 115.119 115.119 114.288 0.831 26065
1004 1 20 . 1 1 9 9 SER HA H 9 4.342 4.342 3.962 0.380 26065
1005 1 20 . 1 1 9 9 SER CA C 9 57.892 57.892 58.694 -0.803 26065
1006 1 20 . 1 1 9 9 SER CB C 9 62.875 62.875 62.488 0.387 26065
1007 1 20 . 1 1 9 9 SER H H 9 8.225 8.225 7.838 0.387 26065
1008 1 20 . 1 1 10 10 CYS N N 10 121.827 121.827 124.376 -2.549 26065
1009 1 20 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.518 0.270 26065
1010 1 20 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.821 -3.413 26065
1011 1 20 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.492 11.382 26065
1012 1 20 . 1 1 10 10 CYS H H 10 8.335 8.335 8.090 0.245 26065
1013 1 20 . 1 1 11 11 PHE N N 11 127.041 127.041 125.913 1.128 26065
1014 1 20 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.767 -0.019 26065
1015 1 20 . 1 1 11 11 PHE CA C 11 56.169 56.169 54.985 1.184 26065
1016 1 20 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.888 1.010 26065
1017 1 20 . 1 1 11 11 PHE H H 11 8.940 8.940 8.417 0.523 26065
1018 1 20 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.499 0.260 26065
1019 1 20 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.914 0.437 26065
1020 1 20 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.458 -3.273 26065
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 9 2.151 0.898 2.074 26065
2 1 1 "Average Difference" HA 11 0.246 -0.082 0.243 26065
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26065
4 1 1 "Average Difference" CA 11 2.120 0.270 2.206 26065
5 1 1 "Average Difference" CB 11 5.607 -1.969 5.506 26065
6 1 1 "Average Difference" HN 9 0.418 -0.214 0.381 26065
7 1 2 "Average Difference" N 9 2.812 0.271 2.969 26065
8 1 2 "Average Difference" HA 11 0.210 -0.055 0.213 26065
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26065
10 1 2 "Average Difference" CA 11 1.854 0.543 1.860 26065
11 1 2 "Average Difference" CB 11 5.984 -2.215 5.830 26065
12 1 2 "Average Difference" HN 9 0.346 -0.151 0.331 26065
13 1 3 "Average Difference" N 9 2.240 -0.303 2.354 26065
14 1 3 "Average Difference" HA 11 0.179 0.019 0.187 26065
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26065
16 1 3 "Average Difference" CA 11 1.424 0.245 1.471 26065
17 1 3 "Average Difference" CB 11 5.078 -1.761 4.996 26065
18 1 3 "Average Difference" HN 9 0.328 -0.151 0.309 26065
19 1 4 "Average Difference" N 9 1.724 0.617 1.707 26065
20 1 4 "Average Difference" HA 11 0.208 0.019 0.217 26065
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26065
22 1 4 "Average Difference" CA 11 1.507 0.202 1.567 26065
23 1 4 "Average Difference" CB 11 4.907 -1.566 4.877 26065
24 1 4 "Average Difference" HN 9 0.316 -0.152 0.295 26065
25 1 5 "Average Difference" N 9 1.868 0.263 1.962 26065
26 1 5 "Average Difference" HA 11 0.273 0.022 0.285 26065
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26065
28 1 5 "Average Difference" CA 11 1.614 0.128 1.688 26065
29 1 5 "Average Difference" CB 11 4.937 -1.691 4.864 26065
30 1 5 "Average Difference" HN 9 0.345 -0.164 0.322 26065
31 1 6 "Average Difference" N 9 3.147 0.059 3.337 26065
32 1 6 "Average Difference" HA 11 0.233 -0.047 0.240 26065
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26065
34 1 6 "Average Difference" CA 11 1.727 0.528 1.724 26065
35 1 6 "Average Difference" CB 11 6.124 -2.153 6.012 26065
36 1 6 "Average Difference" HN 9 0.408 -0.183 0.387 26065
37 1 7 "Average Difference" N 9 2.801 0.171 2.965 26065
38 1 7 "Average Difference" HA 11 0.237 -0.115 0.218 26065
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26065
40 1 7 "Average Difference" CA 11 1.776 0.378 1.820 26065
41 1 7 "Average Difference" CB 11 6.044 -2.393 5.821 26065
42 1 7 "Average Difference" HN 9 0.378 -0.138 0.373 26065
43 1 8 "Average Difference" N 9 2.322 0.571 2.387 26065
44 1 8 "Average Difference" HA 11 0.165 -0.051 0.165 26065
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26065
46 1 8 "Average Difference" CA 11 2.254 0.546 2.293 26065
47 1 8 "Average Difference" CB 11 5.725 -2.003 5.625 26065
48 1 8 "Average Difference" HN 9 0.368 -0.191 0.334 26065
49 1 9 "Average Difference" N 9 1.573 0.163 1.659 26065
50 1 9 "Average Difference" HA 11 0.218 -0.019 0.228 26065
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26065
52 1 9 "Average Difference" CA 11 1.579 0.091 1.653 26065
53 1 9 "Average Difference" CB 11 4.913 -1.729 4.823 26065
54 1 9 "Average Difference" HN 9 0.390 -0.233 0.332 26065
55 1 10 "Average Difference" N 9 2.812 0.271 2.969 26065
56 1 10 "Average Difference" HA 11 0.210 -0.055 0.213 26065
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26065
58 1 10 "Average Difference" CA 11 1.854 0.543 1.860 26065
59 1 10 "Average Difference" CB 11 5.984 -2.215 5.830 26065
60 1 10 "Average Difference" HN 9 0.346 -0.151 0.331 26065
61 1 11 "Average Difference" N 9 2.835 0.458 2.968 26065
62 1 11 "Average Difference" HA 11 0.229 -0.051 0.234 26065
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26065
64 1 11 "Average Difference" CA 11 1.673 0.625 1.627 26065
65 1 11 "Average Difference" CB 11 6.023 -2.086 5.926 26065
66 1 11 "Average Difference" HN 9 0.300 -0.017 0.318 26065
67 1 12 "Average Difference" N 9 2.864 0.030 3.037 26065
68 1 12 "Average Difference" HA 11 0.206 -0.098 0.190 26065
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26065
70 1 12 "Average Difference" CA 11 1.748 0.422 1.779 26065
71 1 12 "Average Difference" CB 11 5.985 -2.244 5.819 26065
72 1 12 "Average Difference" HN 9 0.330 -0.111 0.330 26065
73 1 13 "Average Difference" N 9 2.377 -0.185 2.514 26065
74 1 13 "Average Difference" HA 11 0.230 -0.048 0.236 26065
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26065
76 1 13 "Average Difference" CA 11 1.460 0.515 1.433 26065
77 1 13 "Average Difference" CB 11 5.419 -2.065 5.255 26065
78 1 13 "Average Difference" HN 9 0.333 -0.116 0.331 26065
79 1 14 "Average Difference" N 9 2.050 1.000 1.898 26065
80 1 14 "Average Difference" HA 11 0.220 -0.064 0.220 26065
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26065
82 1 14 "Average Difference" CA 11 2.033 0.257 2.115 26065
83 1 14 "Average Difference" CB 11 5.568 -2.003 5.449 26065
84 1 14 "Average Difference" HN 9 0.460 -0.253 0.407 26065
85 1 15 "Average Difference" N 9 3.090 -0.854 3.150 26065
86 1 15 "Average Difference" HA 11 0.194 -0.077 0.187 26065
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26065
88 1 15 "Average Difference" CA 11 1.373 0.425 1.369 26065
89 1 15 "Average Difference" CB 11 6.096 -2.434 5.862 26065
90 1 15 "Average Difference" HN 9 0.391 -0.196 0.359 26065
91 1 16 "Average Difference" N 9 2.911 -0.746 2.985 26065
92 1 16 "Average Difference" HA 11 0.213 -0.108 0.193 26065
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26065
94 1 16 "Average Difference" CA 11 1.395 0.540 1.350 26065
95 1 16 "Average Difference" CB 11 6.112 -2.343 5.921 26065
96 1 16 "Average Difference" HN 9 0.384 -0.163 0.368 26065
97 1 17 "Average Difference" N 9 2.967 -0.639 3.074 26065
98 1 17 "Average Difference" HA 11 0.234 -0.091 0.225 26065
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26065
100 1 17 "Average Difference" CA 11 1.466 0.557 1.422 26065
101 1 17 "Average Difference" CB 11 6.100 -2.419 5.873 26065
102 1 17 "Average Difference" HN 9 0.309 -0.114 0.305 26065
103 1 18 "Average Difference" N 9 2.837 -0.079 3.008 26065
104 1 18 "Average Difference" HA 11 0.194 -0.072 0.189 26065
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26065
106 1 18 "Average Difference" CA 11 1.695 0.586 1.668 26065
107 1 18 "Average Difference" CB 11 5.993 -2.335 5.789 26065
108 1 18 "Average Difference" HN 9 0.271 -0.082 0.274 26065
109 1 19 "Average Difference" N 9 3.136 -0.508 3.283 26065
110 1 19 "Average Difference" HA 11 0.177 -0.091 0.159 26065
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26065
112 1 19 "Average Difference" CA 11 1.402 0.503 1.372 26065
113 1 19 "Average Difference" CB 11 6.077 -2.380 5.865 26065
114 1 19 "Average Difference" HN 9 0.371 -0.152 0.359 26065
115 1 20 "Average Difference" N 9 2.001 0.560 2.038 26065
116 1 20 "Average Difference" HA 11 0.216 -0.022 0.226 26065
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26065
118 1 20 "Average Difference" CA 11 1.605 0.164 1.674 26065
119 1 20 "Average Difference" CB 11 5.034 -1.775 4.940 26065
120 1 20 "Average Difference" HN 9 0.379 -0.178 0.356 26065
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 26065
_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 N N 2 115.207 115.207 116.751 -1.544 26065
2 1 . 1 1 2 2 ARG HA H 2 4.407 4.407 4.548 -0.141 26065
3 1 . 1 1 2 2 ARG CA C 2 51.842 51.842 50.726 1.117 26065
4 1 . 1 1 2 2 ARG CB C 2 27.411 27.411 28.768 -1.357 26065
5 1 . 1 1 2 2 ARG H H 2 7.484 7.484 7.651 -0.167 26065
6 1 . 1 1 3 3 PRO HA H 3 3.998 3.998 4.172 -0.175 26065
7 1 . 1 1 3 3 PRO CA C 3 60.166 60.166 59.675 0.492 26065
8 1 . 1 1 3 3 PRO CB C 3 30.322 30.322 30.402 -0.080 26065
9 1 . 1 1 4 4 CYS N N 4 121.209 121.209 121.809 -0.600 26065
10 1 . 1 1 4 4 CYS HA H 4 4.738 4.738 4.629 0.109 26065
11 1 . 1 1 4 4 CYS CA C 4 54.002 54.002 57.158 -3.156 26065
12 1 . 1 1 4 4 CYS CB C 4 40.646 40.646 27.693 12.953 26065
13 1 . 1 1 4 4 CYS H H 4 8.531 8.531 8.252 0.279 26065
14 1 . 1 1 5 5 TYR N N 5 118.171 118.171 119.844 -1.673 26065
15 1 . 1 1 5 5 TYR HA H 5 4.665 4.665 4.662 0.003 26065
16 1 . 1 1 5 5 TYR CA C 5 58.501 58.501 58.048 0.453 26065
17 1 . 1 1 5 5 TYR CB C 5 38.608 38.608 38.028 0.580 26065
18 1 . 1 1 5 5 TYR H H 5 8.409 8.409 8.054 0.355 26065
19 1 . 1 1 6 6 THR N N 6 112.426 112.426 115.981 -3.555 26065
20 1 . 1 1 6 6 THR HA H 6 4.441 4.441 4.586 -0.145 26065
21 1 . 1 1 6 6 THR CA C 6 60.505 60.505 60.555 -0.050 26065
22 1 . 1 1 6 6 THR CB C 6 68.730 68.730 68.599 0.131 26065
23 1 . 1 1 6 6 THR H H 6 7.889 7.889 8.238 -0.349 26065
24 1 . 1 1 7 7 LEU N N 7 121.287 121.287 121.460 -0.173 26065
25 1 . 1 1 7 7 LEU HA H 7 4.152 4.152 4.248 -0.096 26065
26 1 . 1 1 7 7 LEU CA C 7 56.856 56.856 56.953 -0.097 26065
27 1 . 1 1 7 7 LEU CB C 7 41.172 41.172 41.814 -0.642 26065
28 1 . 1 1 7 7 LEU H H 7 8.497 8.497 8.536 -0.039 26065
29 1 . 1 1 8 8 GLN N N 8 116.977 116.977 116.974 0.004 26065
30 1 . 1 1 8 8 GLN HA H 8 4.350 4.350 4.325 0.025 26065
31 1 . 1 1 8 8 GLN CA C 8 56.273 56.273 55.699 0.574 26065
32 1 . 1 1 8 8 GLN CB C 8 31.397 31.397 30.829 0.568 26065
33 1 . 1 1 8 8 GLN H H 8 8.165 8.165 8.126 0.039 26065
34 1 . 1 1 9 9 SER N N 9 115.419 115.419 114.129 1.290 26065
35 1 . 1 1 9 9 SER HA H 9 4.331 4.331 4.062 0.269 26065
36 1 . 1 1 9 9 SER CA C 9 57.837 57.837 58.444 -0.608 26065
37 1 . 1 1 9 9 SER CB C 9 61.796 61.796 60.692 1.104 26065
38 1 . 1 1 9 9 SER H H 9 8.238 8.238 7.862 0.376 26065
39 1 . 1 1 10 10 CYS N N 10 121.598 121.598 119.823 1.775 26065
40 1 . 1 1 10 10 CYS HA H 10 4.766 4.766 4.488 0.278 26065
41 1 . 1 1 10 10 CYS CA C 10 54.489 54.489 57.839 -3.350 26065
42 1 . 1 1 10 10 CYS CB C 10 39.348 39.348 27.732 11.617 26065
43 1 . 1 1 10 10 CYS H H 10 8.327 8.327 7.847 0.480 26065
44 1 . 1 1 11 11 PHE N N 11 126.445 126.445 122.880 3.565 26065
45 1 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.527 0.200 26065
46 1 . 1 1 11 11 PHE CA C 11 56.255 56.255 56.366 -0.111 26065
47 1 . 1 1 11 11 PHE CB C 11 41.047 41.047 40.023 1.024 26065
48 1 . 1 1 11 11 PHE H H 11 8.904 8.904 8.534 0.370 26065
49 1 . 1 1 12 12 PRO N N 12 6.091 6.091 6.214 -0.123 26065
50 1 . 1 1 12 12 PRO HA H 12 4.760 4.760 4.505 0.255 26065
51 1 . 1 1 12 12 PRO CA C 12 62.904 62.904 62.669 0.235 26065
52 1 . 1 1 12 12 PRO CB C 12 29.719 29.719 32.502 -2.783 26065
53 1 . 1 1 12 12 PRO H H 12 0.417 0.417 0.394 0.023 26065
54 1 . 1 1 11 11 PHE N N 11 6.352 6.352 6.225 0.127 26065
55 1 . 1 1 11 11 PHE HA H 11 0.237 0.237 0.234 0.003 26065
56 1 . 1 1 11 11 PHE CA C 11 2.808 2.808 2.776 0.032 26065
57 1 . 1 1 11 11 PHE CB C 11 1.995 1.995 1.956 0.039 26065
58 1 . 1 1 11 11 PHE H H 11 0.447 0.447 0.416 0.031 26065
59 1 . 1 1 12 12 PRO HA H 12 0.238 0.238 0.226 0.012 26065
60 1 . 1 1 12 12 PRO CA C 12 3.168 3.168 3.136 0.032 26065
61 1 . 1 1 12 12 PRO CB C 12 1.459 1.459 1.633 -0.174 26065
stop_
save_