data_17583
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17583
_Entry.PDB_ID 2LBZ
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 17583
_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 TRP N N 2 124.885 124.885 122.470 2.415 17583
2 1 1 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.748 -0.333 17583
3 1 1 . 1 1 2 2 TRP C C 2 173.011 173.011 175.222 -2.211 17583
4 1 1 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.558 2.004 17583
5 1 1 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.880 -0.840 17583
6 1 1 . 1 1 2 2 TRP H H 2 8.943 8.943 8.147 0.796 17583
7 1 1 . 1 1 3 3 THR N N 3 110.912 110.912 113.042 -2.130 17583
8 1 1 . 1 1 3 3 THR HA H 3 3.862 3.862 4.095 -0.233 17583
9 1 1 . 1 1 3 3 THR C C 3 176.563 176.563 174.281 2.282 17583
10 1 1 . 1 1 3 3 THR CA C 3 63.637 63.637 60.901 2.736 17583
11 1 1 . 1 1 3 3 THR CB C 3 68.670 68.670 70.311 -1.641 17583
12 1 1 . 1 1 3 3 THR H H 3 7.416 7.416 8.023 -0.607 17583
13 1 1 . 1 1 4 4 CYS N N 4 117.936 117.936 118.539 -0.603 17583
14 1 1 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.335 -0.218 17583
15 1 1 . 1 1 4 4 CYS C C 4 176.371 176.371 176.575 -0.204 17583
16 1 1 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.739 -2.969 17583
17 1 1 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.544 6.939 17583
18 1 1 . 1 1 4 4 CYS H H 4 7.753 7.753 8.709 -0.956 17583
19 1 1 . 1 1 5 5 TRP N N 5 118.457 118.457 120.973 -2.516 17583
20 1 1 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.528 -0.288 17583
21 1 1 . 1 1 5 5 TRP C C 5 175.831 175.831 178.499 -2.668 17583
22 1 1 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.874 0.253 17583
23 1 1 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.924 -0.335 17583
24 1 1 . 1 1 5 5 TRP H H 5 7.800 7.800 8.409 -0.609 17583
25 1 1 . 1 1 6 6 SER N N 6 114.289 114.289 116.088 -1.799 17583
26 1 1 . 1 1 6 6 SER HA H 6 4.048 4.048 4.400 -0.352 17583
27 1 1 . 1 1 6 6 SER C C 6 177.970 177.970 176.637 1.333 17583
28 1 1 . 1 1 6 6 SER CA C 6 61.815 61.815 61.534 0.281 17583
29 1 1 . 1 1 6 6 SER CB C 6 62.648 62.648 62.477 0.171 17583
30 1 1 . 1 1 6 6 SER H H 6 7.829 7.829 8.123 -0.294 17583
31 1 1 . 1 1 7 7 CYS N N 7 117.111 117.111 120.375 -3.264 17583
32 1 1 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.387 -0.365 17583
33 1 1 . 1 1 7 7 CYS C C 7 174.951 174.951 177.377 -2.426 17583
34 1 1 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.076 -3.740 17583
35 1 1 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.504 6.782 17583
36 1 1 . 1 1 7 7 CYS H H 7 7.198 7.198 7.895 -0.697 17583
37 1 1 . 1 1 8 8 LEU N N 8 119.586 119.586 122.848 -3.262 17583
38 1 1 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.171 -0.138 17583
39 1 1 . 1 1 8 8 LEU C C 8 174.628 174.628 178.380 -3.752 17583
40 1 1 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.060 -0.407 17583
41 1 1 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.066 0.044 17583
42 1 1 . 1 1 8 8 LEU H H 8 7.801 7.801 7.887 -0.086 17583
43 1 1 . 1 1 9 9 VAL N N 9 115.037 115.037 119.505 -4.468 17583
44 1 1 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.868 -0.099 17583
45 1 1 . 1 1 9 9 VAL C C 9 178.641 178.641 177.670 0.971 17583
46 1 1 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.303 0.401 17583
47 1 1 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.953 0.634 17583
48 1 1 . 1 1 9 9 VAL H H 9 7.743 7.743 7.810 -0.067 17583
49 1 1 . 1 1 10 10 CYS N N 10 117.287 117.287 118.026 -0.739 17583
50 1 1 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.272 -0.233 17583
51 1 1 . 1 1 10 10 CYS C C 10 176.537 176.537 176.927 -0.390 17583
52 1 1 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.347 -4.430 17583
53 1 1 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.115 6.878 17583
54 1 1 . 1 1 10 10 CYS H H 10 7.243 7.243 7.673 -0.430 17583
55 1 1 . 1 1 11 11 ALA N N 11 120.225 120.225 123.159 -2.934 17583
56 1 1 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.118 -0.134 17583
57 1 1 . 1 1 11 11 ALA C C 11 174.565 174.565 178.332 -3.767 17583
58 1 1 . 1 1 11 11 ALA CA C 11 54.187 54.187 54.325 -0.138 17583
59 1 1 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.045 -0.410 17583
60 1 1 . 1 1 11 11 ALA H H 11 7.878 7.878 7.860 0.018 17583
61 1 1 . 1 1 12 12 ALA N N 12 116.658 116.658 119.957 -3.299 17583
62 1 1 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.227 -0.112 17583
63 1 1 . 1 1 12 12 ALA C C 12 177.085 177.085 177.473 -0.388 17583
64 1 1 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.526 0.490 17583
65 1 1 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.362 -1.494 17583
66 1 1 . 1 1 12 12 ALA H H 12 7.761 7.761 7.607 0.154 17583
67 1 1 . 1 1 13 13 CYS N N 13 116.103 116.103 119.431 -3.328 17583
68 1 1 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.416 -0.203 17583
69 1 1 . 1 1 13 13 CYS C C 13 177.660 177.660 174.996 2.664 17583
70 1 1 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.219 -4.317 17583
71 1 1 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.935 7.468 17583
72 1 1 . 1 1 13 13 CYS H H 13 7.216 7.216 7.569 -0.353 17583
73 1 1 . 1 1 14 14 SER HA H 14 4.082 4.082 4.507 -0.425 17583
74 1 1 . 1 1 14 14 SER CA C 14 58.706 58.706 59.094 -0.388 17583
75 1 1 . 1 1 14 14 SER CB C 14 63.625 63.625 63.716 -0.091 17583
76 1 1 . 1 1 15 15 VAL N N 15 116.083 116.083 117.668 -1.585 17583
77 1 1 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.254 -0.252 17583
78 1 1 . 1 1 15 15 VAL C C 15 174.575 174.575 176.196 -1.621 17583
79 1 1 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.254 0.398 17583
80 1 1 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.287 0.117 17583
81 1 1 . 1 1 15 15 VAL H H 15 7.892 7.892 8.153 -0.261 17583
82 1 1 . 1 1 16 16 GLU N N 16 118.503 118.503 118.528 -0.025 17583
83 1 1 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.481 -0.189 17583
84 1 1 . 1 1 16 16 GLU C C 16 175.097 175.097 174.750 0.347 17583
85 1 1 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.711 -0.171 17583
86 1 1 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.796 -5.250 17583
87 1 1 . 1 1 16 16 GLU H H 16 7.943 7.943 7.641 0.302 17583
88 1 1 . 1 1 17 17 LEU N N 17 117.302 117.302 120.899 -3.597 17583
89 1 1 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.540 -0.469 17583
90 1 1 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.192 2.538 17583
91 1 1 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.900 -0.744 17583
92 1 1 . 1 1 17 17 LEU H H 17 7.757 7.757 8.293 -0.536 17583
93 1 1 . 1 1 30 30 ALA N N 30 122.010 122.010 127.795 -5.785 17583
94 1 1 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.474 -0.228 17583
95 1 1 . 1 1 30 30 ALA C C 30 173.587 173.587 176.492 -2.905 17583
96 1 1 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.198 -0.038 17583
97 1 1 . 1 1 30 30 ALA CB C 30 18.791 18.791 17.579 1.212 17583
98 1 1 . 1 1 30 30 ALA H H 30 7.469 7.469 8.022 -0.553 17583
99 1 2 . 1 1 2 2 TRP N N 2 124.885 124.885 122.004 2.881 17583
100 1 2 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.574 -0.159 17583
101 1 2 . 1 1 2 2 TRP C C 2 173.011 173.011 176.725 -3.714 17583
102 1 2 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.696 1.866 17583
103 1 2 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.979 -0.939 17583
104 1 2 . 1 1 2 2 TRP H H 2 8.943 8.943 8.172 0.771 17583
105 1 2 . 1 1 3 3 THR N N 3 110.912 110.912 107.592 3.320 17583
106 1 2 . 1 1 3 3 THR HA H 3 3.862 3.862 4.688 -0.826 17583
107 1 2 . 1 1 3 3 THR C C 3 176.563 176.563 174.226 2.337 17583
108 1 2 . 1 1 3 3 THR CA C 3 63.637 63.637 61.261 2.376 17583
109 1 2 . 1 1 3 3 THR CB C 3 68.670 68.670 70.942 -2.272 17583
110 1 2 . 1 1 3 3 THR H H 3 7.416 7.416 7.857 -0.441 17583
111 1 2 . 1 1 4 4 CYS N N 4 117.936 117.936 122.127 -4.191 17583
112 1 2 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.345 -0.228 17583
113 1 2 . 1 1 4 4 CYS C C 4 176.371 176.371 176.712 -0.341 17583
114 1 2 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.540 -2.770 17583
115 1 2 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.360 7.123 17583
116 1 2 . 1 1 4 4 CYS H H 4 7.753 7.753 9.071 -1.318 17583
117 1 2 . 1 1 5 5 TRP N N 5 118.457 118.457 121.368 -2.911 17583
118 1 2 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.544 -0.304 17583
119 1 2 . 1 1 5 5 TRP C C 5 175.831 175.831 178.865 -3.034 17583
120 1 2 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.450 0.677 17583
121 1 2 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.055 -0.466 17583
122 1 2 . 1 1 5 5 TRP H H 5 7.800 7.800 8.358 -0.558 17583
123 1 2 . 1 1 6 6 SER N N 6 114.289 114.289 116.329 -2.040 17583
124 1 2 . 1 1 6 6 SER HA H 6 4.048 4.048 4.367 -0.319 17583
125 1 2 . 1 1 6 6 SER C C 6 177.970 177.970 176.676 1.294 17583
126 1 2 . 1 1 6 6 SER CA C 6 61.815 61.815 60.823 0.992 17583
127 1 2 . 1 1 6 6 SER CB C 6 62.648 62.648 62.672 -0.024 17583
128 1 2 . 1 1 6 6 SER H H 6 7.829 7.829 8.578 -0.749 17583
129 1 2 . 1 1 7 7 CYS N N 7 117.111 117.111 120.685 -3.574 17583
130 1 2 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.342 -0.320 17583
131 1 2 . 1 1 7 7 CYS C C 7 174.951 174.951 176.463 -1.512 17583
132 1 2 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.272 -3.936 17583
133 1 2 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.831 6.455 17583
134 1 2 . 1 1 7 7 CYS H H 7 7.198 7.198 7.775 -0.577 17583
135 1 2 . 1 1 8 8 LEU N N 8 119.586 119.586 121.954 -2.368 17583
136 1 2 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.119 -0.086 17583
137 1 2 . 1 1 8 8 LEU C C 8 174.628 174.628 178.376 -3.748 17583
138 1 2 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.128 -0.475 17583
139 1 2 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.079 0.031 17583
140 1 2 . 1 1 8 8 LEU H H 8 7.801 7.801 7.917 -0.116 17583
141 1 2 . 1 1 9 9 VAL N N 9 115.037 115.037 118.784 -3.747 17583
142 1 2 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.793 -0.024 17583
143 1 2 . 1 1 9 9 VAL C C 9 178.641 178.641 177.539 1.102 17583
144 1 2 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.369 -0.665 17583
145 1 2 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.713 -0.126 17583
146 1 2 . 1 1 9 9 VAL H H 9 7.743 7.743 7.780 -0.037 17583
147 1 2 . 1 1 10 10 CYS N N 10 117.287 117.287 118.414 -1.127 17583
148 1 2 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.225 -0.186 17583
149 1 2 . 1 1 10 10 CYS C C 10 176.537 176.537 176.283 0.254 17583
150 1 2 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.780 -3.863 17583
151 1 2 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.845 7.148 17583
152 1 2 . 1 1 10 10 CYS H H 10 7.243 7.243 7.536 -0.293 17583
153 1 2 . 1 1 11 11 ALA N N 11 120.225 120.225 121.576 -1.351 17583
154 1 2 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.135 -0.151 17583
155 1 2 . 1 1 11 11 ALA C C 11 174.565 174.565 177.777 -3.212 17583
156 1 2 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.539 0.648 17583
157 1 2 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.489 -0.854 17583
158 1 2 . 1 1 11 11 ALA H H 11 7.878 7.878 7.591 0.287 17583
159 1 2 . 1 1 12 12 ALA N N 12 116.658 116.658 119.277 -2.619 17583
160 1 2 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.275 -0.160 17583
161 1 2 . 1 1 12 12 ALA C C 12 177.085 177.085 177.889 -0.804 17583
162 1 2 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.454 0.562 17583
163 1 2 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.091 -1.223 17583
164 1 2 . 1 1 12 12 ALA H H 12 7.761 7.761 7.331 0.430 17583
165 1 2 . 1 1 13 13 CYS N N 13 116.103 116.103 119.215 -3.112 17583
166 1 2 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.408 -0.195 17583
167 1 2 . 1 1 13 13 CYS C C 13 177.660 177.660 174.951 2.709 17583
168 1 2 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.484 -4.582 17583
169 1 2 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.983 7.420 17583
170 1 2 . 1 1 13 13 CYS H H 13 7.216 7.216 7.641 -0.425 17583
171 1 2 . 1 1 14 14 SER HA H 14 4.082 4.082 4.425 -0.343 17583
172 1 2 . 1 1 14 14 SER CA C 14 58.706 58.706 59.678 -0.972 17583
173 1 2 . 1 1 14 14 SER CB C 14 63.625 63.625 63.866 -0.241 17583
174 1 2 . 1 1 15 15 VAL N N 15 116.083 116.083 120.480 -4.397 17583
175 1 2 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.136 -0.134 17583
176 1 2 . 1 1 15 15 VAL C C 15 174.575 174.575 175.825 -1.250 17583
177 1 2 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.252 0.400 17583
178 1 2 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.300 0.104 17583
179 1 2 . 1 1 15 15 VAL H H 15 7.892 7.892 8.137 -0.245 17583
180 1 2 . 1 1 16 16 GLU N N 16 118.503 118.503 121.331 -2.828 17583
181 1 2 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.392 -0.100 17583
182 1 2 . 1 1 16 16 GLU C C 16 175.097 175.097 176.397 -1.300 17583
183 1 2 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.412 0.128 17583
184 1 2 . 1 1 16 16 GLU CB C 16 27.546 27.546 29.156 -1.610 17583
185 1 2 . 1 1 16 16 GLU H H 16 7.943 7.943 7.676 0.267 17583
186 1 2 . 1 1 17 17 LEU N N 17 117.302 117.302 127.753 -10.451 17583
187 1 2 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.087 -0.016 17583
188 1 2 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.585 1.145 17583
189 1 2 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.351 -0.195 17583
190 1 2 . 1 1 17 17 LEU H H 17 7.757 7.757 8.352 -0.595 17583
191 1 2 . 1 1 30 30 ALA N N 30 122.010 122.010 125.605 -3.595 17583
192 1 2 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.337 -0.091 17583
193 1 2 . 1 1 30 30 ALA C C 30 173.587 173.587 178.180 -4.593 17583
194 1 2 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.626 -0.466 17583
195 1 2 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.390 -0.599 17583
196 1 2 . 1 1 30 30 ALA H H 30 7.469 7.469 8.130 -0.661 17583
197 1 3 . 1 1 2 2 TRP N N 2 124.885 124.885 123.307 1.578 17583
198 1 3 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.670 -0.255 17583
199 1 3 . 1 1 2 2 TRP C C 2 173.011 173.011 176.625 -3.614 17583
200 1 3 . 1 1 2 2 TRP CA C 2 59.562 59.562 56.910 2.652 17583
201 1 3 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.588 -0.548 17583
202 1 3 . 1 1 2 2 TRP H H 2 8.943 8.943 7.882 1.061 17583
203 1 3 . 1 1 3 3 THR N N 3 110.912 110.912 119.332 -8.420 17583
204 1 3 . 1 1 3 3 THR HA H 3 3.862 3.862 4.530 -0.668 17583
205 1 3 . 1 1 3 3 THR C C 3 176.563 176.563 175.682 0.881 17583
206 1 3 . 1 1 3 3 THR CA C 3 63.637 63.637 62.308 1.329 17583
207 1 3 . 1 1 3 3 THR CB C 3 68.670 68.670 70.310 -1.640 17583
208 1 3 . 1 1 3 3 THR H H 3 7.416 7.416 8.521 -1.105 17583
209 1 3 . 1 1 4 4 CYS N N 4 117.936 117.936 123.698 -5.762 17583
210 1 3 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.392 -0.275 17583
211 1 3 . 1 1 4 4 CYS C C 4 176.371 176.371 177.142 -0.771 17583
212 1 3 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.531 -2.761 17583
213 1 3 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.528 6.956 17583
214 1 3 . 1 1 4 4 CYS H H 4 7.753 7.753 9.271 -1.518 17583
215 1 3 . 1 1 5 5 TRP N N 5 118.457 118.457 121.232 -2.775 17583
216 1 3 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.511 -0.271 17583
217 1 3 . 1 1 5 5 TRP C C 5 175.831 175.831 178.642 -2.811 17583
218 1 3 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.837 0.290 17583
219 1 3 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.021 -0.432 17583
220 1 3 . 1 1 5 5 TRP H H 5 7.800 7.800 8.592 -0.792 17583
221 1 3 . 1 1 6 6 SER N N 6 114.289 114.289 116.348 -2.059 17583
222 1 3 . 1 1 6 6 SER HA H 6 4.048 4.048 4.352 -0.304 17583
223 1 3 . 1 1 6 6 SER C C 6 177.970 177.970 176.346 1.624 17583
224 1 3 . 1 1 6 6 SER CA C 6 61.815 61.815 61.158 0.657 17583
225 1 3 . 1 1 6 6 SER CB C 6 62.648 62.648 62.849 -0.201 17583
226 1 3 . 1 1 6 6 SER H H 6 7.829 7.829 8.602 -0.773 17583
227 1 3 . 1 1 7 7 CYS N N 7 117.111 117.111 120.234 -3.123 17583
228 1 3 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.262 -0.240 17583
229 1 3 . 1 1 7 7 CYS C C 7 174.951 174.951 176.248 -1.297 17583
230 1 3 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.331 -3.995 17583
231 1 3 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.768 6.518 17583
232 1 3 . 1 1 7 7 CYS H H 7 7.198 7.198 7.729 -0.531 17583
233 1 3 . 1 1 8 8 LEU N N 8 119.586 119.586 122.016 -2.430 17583
234 1 3 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.096 -0.063 17583
235 1 3 . 1 1 8 8 LEU C C 8 174.628 174.628 178.554 -3.926 17583
236 1 3 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.428 -0.775 17583
237 1 3 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.959 0.151 17583
238 1 3 . 1 1 8 8 LEU H H 8 7.801 7.801 7.778 0.023 17583
239 1 3 . 1 1 9 9 VAL N N 9 115.037 115.037 118.843 -3.806 17583
240 1 3 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.839 -0.070 17583
241 1 3 . 1 1 9 9 VAL C C 9 178.641 178.641 177.901 0.740 17583
242 1 3 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.284 0.420 17583
243 1 3 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.781 0.806 17583
244 1 3 . 1 1 9 9 VAL H H 9 7.743 7.743 7.821 -0.078 17583
245 1 3 . 1 1 10 10 CYS N N 10 117.287 117.287 118.294 -1.007 17583
246 1 3 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.173 -0.134 17583
247 1 3 . 1 1 10 10 CYS C C 10 176.537 176.537 176.282 0.255 17583
248 1 3 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.059 -4.142 17583
249 1 3 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.041 6.952 17583
250 1 3 . 1 1 10 10 CYS H H 10 7.243 7.243 7.441 -0.198 17583
251 1 3 . 1 1 11 11 ALA N N 11 120.225 120.225 122.576 -2.351 17583
252 1 3 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.112 -0.128 17583
253 1 3 . 1 1 11 11 ALA C C 11 174.565 174.565 178.133 -3.568 17583
254 1 3 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.937 0.250 17583
255 1 3 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.112 -0.477 17583
256 1 3 . 1 1 11 11 ALA H H 11 7.878 7.878 7.781 0.097 17583
257 1 3 . 1 1 12 12 ALA N N 12 116.658 116.658 119.603 -2.945 17583
258 1 3 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.122 -0.007 17583
259 1 3 . 1 1 12 12 ALA C C 12 177.085 177.085 176.999 0.086 17583
260 1 3 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.423 0.593 17583
261 1 3 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.280 -1.412 17583
262 1 3 . 1 1 12 12 ALA H H 12 7.761 7.761 7.571 0.190 17583
263 1 3 . 1 1 13 13 CYS N N 13 116.103 116.103 118.837 -2.734 17583
264 1 3 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.367 -0.154 17583
265 1 3 . 1 1 13 13 CYS C C 13 177.660 177.660 174.944 2.716 17583
266 1 3 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.472 -4.570 17583
267 1 3 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.871 7.532 17583
268 1 3 . 1 1 13 13 CYS H H 13 7.216 7.216 7.588 -0.372 17583
269 1 3 . 1 1 14 14 SER HA H 14 4.082 4.082 4.516 -0.434 17583
270 1 3 . 1 1 14 14 SER CA C 14 58.706 58.706 58.878 -0.172 17583
271 1 3 . 1 1 14 14 SER CB C 14 63.625 63.625 64.161 -0.536 17583
272 1 3 . 1 1 15 15 VAL N N 15 116.083 116.083 120.757 -4.674 17583
273 1 3 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.087 -0.085 17583
274 1 3 . 1 1 15 15 VAL C C 15 174.575 174.575 176.447 -1.872 17583
275 1 3 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.967 -0.315 17583
276 1 3 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.355 0.049 17583
277 1 3 . 1 1 15 15 VAL H H 15 7.892 7.892 8.254 -0.362 17583
278 1 3 . 1 1 16 16 GLU N N 16 118.503 118.503 118.495 0.008 17583
279 1 3 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.528 -0.236 17583
280 1 3 . 1 1 16 16 GLU C C 16 175.097 175.097 175.468 -0.371 17583
281 1 3 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.381 0.159 17583
282 1 3 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.181 -4.635 17583
283 1 3 . 1 1 16 16 GLU H H 16 7.943 7.943 7.659 0.284 17583
284 1 3 . 1 1 17 17 LEU N N 17 117.302 117.302 120.928 -3.626 17583
285 1 3 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.536 -0.465 17583
286 1 3 . 1 1 17 17 LEU CA C 17 57.730 57.730 54.440 3.290 17583
287 1 3 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.764 -0.608 17583
288 1 3 . 1 1 17 17 LEU H H 17 7.757 7.757 8.493 -0.736 17583
289 1 3 . 1 1 30 30 ALA N N 30 122.010 122.010 124.031 -2.021 17583
290 1 3 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.428 -0.182 17583
291 1 3 . 1 1 30 30 ALA C C 30 173.587 173.587 177.796 -4.209 17583
292 1 3 . 1 1 30 30 ALA CA C 30 52.160 52.160 53.057 -0.897 17583
293 1 3 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.657 -0.866 17583
294 1 3 . 1 1 30 30 ALA H H 30 7.469 7.469 8.162 -0.693 17583
295 1 4 . 1 1 2 2 TRP N N 2 124.885 124.885 122.470 2.415 17583
296 1 4 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.630 -0.215 17583
297 1 4 . 1 1 2 2 TRP C C 2 173.011 173.011 176.103 -3.092 17583
298 1 4 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.837 1.725 17583
299 1 4 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.623 -0.583 17583
300 1 4 . 1 1 2 2 TRP H H 2 8.943 8.943 8.316 0.627 17583
301 1 4 . 1 1 3 3 THR N N 3 110.912 110.912 106.631 4.281 17583
302 1 4 . 1 1 3 3 THR HA H 3 3.862 3.862 4.643 -0.781 17583
303 1 4 . 1 1 3 3 THR C C 3 176.563 176.563 174.275 2.288 17583
304 1 4 . 1 1 3 3 THR CA C 3 63.637 63.637 61.325 2.312 17583
305 1 4 . 1 1 3 3 THR CB C 3 68.670 68.670 71.398 -2.728 17583
306 1 4 . 1 1 3 3 THR H H 3 7.416 7.416 7.858 -0.442 17583
307 1 4 . 1 1 4 4 CYS N N 4 117.936 117.936 120.838 -2.902 17583
308 1 4 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.353 -0.236 17583
309 1 4 . 1 1 4 4 CYS C C 4 176.371 176.371 176.703 -0.332 17583
310 1 4 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.659 -2.889 17583
311 1 4 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.433 7.051 17583
312 1 4 . 1 1 4 4 CYS H H 4 7.753 7.753 8.916 -1.163 17583
313 1 4 . 1 1 5 5 TRP N N 5 118.457 118.457 121.187 -2.730 17583
314 1 4 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.517 -0.277 17583
315 1 4 . 1 1 5 5 TRP C C 5 175.831 175.831 178.692 -2.861 17583
316 1 4 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.889 0.238 17583
317 1 4 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.927 -0.338 17583
318 1 4 . 1 1 5 5 TRP H H 5 7.800 7.800 8.404 -0.604 17583
319 1 4 . 1 1 6 6 SER N N 6 114.289 114.289 116.358 -2.069 17583
320 1 4 . 1 1 6 6 SER HA H 6 4.048 4.048 4.338 -0.290 17583
321 1 4 . 1 1 6 6 SER C C 6 177.970 177.970 176.560 1.410 17583
322 1 4 . 1 1 6 6 SER CA C 6 61.815 61.815 61.703 0.112 17583
323 1 4 . 1 1 6 6 SER CB C 6 62.648 62.648 62.869 -0.221 17583
324 1 4 . 1 1 6 6 SER H H 6 7.829 7.829 8.141 -0.312 17583
325 1 4 . 1 1 7 7 CYS N N 7 117.111 117.111 120.332 -3.221 17583
326 1 4 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.370 -0.348 17583
327 1 4 . 1 1 7 7 CYS C C 7 174.951 174.951 176.333 -1.382 17583
328 1 4 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.535 -4.199 17583
329 1 4 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.882 6.404 17583
330 1 4 . 1 1 7 7 CYS H H 7 7.198 7.198 7.752 -0.554 17583
331 1 4 . 1 1 8 8 LEU N N 8 119.586 119.586 121.950 -2.364 17583
332 1 4 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.150 -0.117 17583
333 1 4 . 1 1 8 8 LEU C C 8 174.628 174.628 178.466 -3.838 17583
334 1 4 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.099 -0.446 17583
335 1 4 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.085 0.025 17583
336 1 4 . 1 1 8 8 LEU H H 8 7.801 7.801 7.823 -0.022 17583
337 1 4 . 1 1 9 9 VAL N N 9 115.037 115.037 118.618 -3.581 17583
338 1 4 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.787 -0.018 17583
339 1 4 . 1 1 9 9 VAL C C 9 178.641 178.641 177.646 0.995 17583
340 1 4 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.083 -0.379 17583
341 1 4 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.191 0.396 17583
342 1 4 . 1 1 9 9 VAL H H 9 7.743 7.743 7.812 -0.069 17583
343 1 4 . 1 1 10 10 CYS N N 10 117.287 117.287 118.522 -1.235 17583
344 1 4 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.246 -0.207 17583
345 1 4 . 1 1 10 10 CYS C C 10 176.537 176.537 176.450 0.087 17583
346 1 4 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.728 -3.811 17583
347 1 4 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.126 6.867 17583
348 1 4 . 1 1 10 10 CYS H H 10 7.243 7.243 7.609 -0.366 17583
349 1 4 . 1 1 11 11 ALA N N 11 120.225 120.225 122.749 -2.524 17583
350 1 4 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.143 -0.159 17583
351 1 4 . 1 1 11 11 ALA C C 11 174.565 174.565 178.181 -3.616 17583
352 1 4 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.963 0.224 17583
353 1 4 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.161 -0.526 17583
354 1 4 . 1 1 11 11 ALA H H 11 7.878 7.878 7.831 0.047 17583
355 1 4 . 1 1 12 12 ALA N N 12 116.658 116.658 120.297 -3.639 17583
356 1 4 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.207 -0.092 17583
357 1 4 . 1 1 12 12 ALA C C 12 177.085 177.085 177.468 -0.383 17583
358 1 4 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.532 0.483 17583
359 1 4 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.281 -1.413 17583
360 1 4 . 1 1 12 12 ALA H H 12 7.761 7.761 7.599 0.162 17583
361 1 4 . 1 1 13 13 CYS N N 13 116.103 116.103 119.634 -3.531 17583
362 1 4 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.420 -0.207 17583
363 1 4 . 1 1 13 13 CYS C C 13 177.660 177.660 175.274 2.386 17583
364 1 4 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.098 -4.196 17583
365 1 4 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.994 7.410 17583
366 1 4 . 1 1 13 13 CYS H H 13 7.216 7.216 7.577 -0.361 17583
367 1 4 . 1 1 14 14 SER HA H 14 4.082 4.082 4.523 -0.441 17583
368 1 4 . 1 1 14 14 SER CA C 14 58.706 58.706 59.428 -0.722 17583
369 1 4 . 1 1 14 14 SER CB C 14 63.625 63.625 63.990 -0.365 17583
370 1 4 . 1 1 15 15 VAL N N 15 116.083 116.083 117.525 -1.442 17583
371 1 4 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.293 -0.291 17583
372 1 4 . 1 1 15 15 VAL C C 15 174.575 174.575 176.151 -1.576 17583
373 1 4 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.249 0.403 17583
374 1 4 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.356 0.048 17583
375 1 4 . 1 1 15 15 VAL H H 15 7.892 7.892 8.069 -0.177 17583
376 1 4 . 1 1 16 16 GLU N N 16 118.503 118.503 118.903 -0.400 17583
377 1 4 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.542 -0.250 17583
378 1 4 . 1 1 16 16 GLU C C 16 175.097 175.097 175.351 -0.254 17583
379 1 4 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.471 0.069 17583
380 1 4 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.788 -5.242 17583
381 1 4 . 1 1 16 16 GLU H H 16 7.943 7.943 7.685 0.258 17583
382 1 4 . 1 1 17 17 LEU N N 17 117.302 117.302 121.780 -4.478 17583
383 1 4 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.426 -0.355 17583
384 1 4 . 1 1 17 17 LEU CA C 17 57.730 57.730 54.767 2.963 17583
385 1 4 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.689 -0.533 17583
386 1 4 . 1 1 17 17 LEU H H 17 7.757 7.757 8.655 -0.898 17583
387 1 4 . 1 1 30 30 ALA N N 30 122.010 122.010 123.857 -1.847 17583
388 1 4 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.349 -0.103 17583
389 1 4 . 1 1 30 30 ALA C C 30 173.587 173.587 178.128 -4.541 17583
390 1 4 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.561 -0.401 17583
391 1 4 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.282 -0.491 17583
392 1 4 . 1 1 30 30 ALA H H 30 7.469 7.469 7.930 -0.461 17583
393 1 5 . 1 1 2 2 TRP N N 2 124.885 124.885 121.247 3.638 17583
394 1 5 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.932 -0.517 17583
395 1 5 . 1 1 2 2 TRP C C 2 173.011 173.011 174.550 -1.539 17583
396 1 5 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.586 1.976 17583
397 1 5 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.783 -0.743 17583
398 1 5 . 1 1 2 2 TRP H H 2 8.943 8.943 7.586 1.357 17583
399 1 5 . 1 1 3 3 THR N N 3 110.912 110.912 116.388 -5.476 17583
400 1 5 . 1 1 3 3 THR HA H 3 3.862 3.862 4.634 -0.772 17583
401 1 5 . 1 1 3 3 THR C C 3 176.563 176.563 174.929 1.634 17583
402 1 5 . 1 1 3 3 THR CA C 3 63.637 63.637 61.353 2.284 17583
403 1 5 . 1 1 3 3 THR CB C 3 68.670 68.670 70.133 -1.463 17583
404 1 5 . 1 1 3 3 THR H H 3 7.416 7.416 8.056 -0.640 17583
405 1 5 . 1 1 4 4 CYS N N 4 117.936 117.936 121.744 -3.808 17583
406 1 5 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.398 -0.281 17583
407 1 5 . 1 1 4 4 CYS C C 4 176.371 176.371 176.363 0.008 17583
408 1 5 . 1 1 4 4 CYS CA C 4 57.770 57.770 59.571 -1.801 17583
409 1 5 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.893 6.591 17583
410 1 5 . 1 1 4 4 CYS H H 4 7.753 7.753 8.895 -1.141 17583
411 1 5 . 1 1 5 5 TRP N N 5 118.457 118.457 120.044 -1.587 17583
412 1 5 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.460 -0.220 17583
413 1 5 . 1 1 5 5 TRP C C 5 175.831 175.831 178.729 -2.898 17583
414 1 5 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.486 0.641 17583
415 1 5 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.183 -0.594 17583
416 1 5 . 1 1 5 5 TRP H H 5 7.800 7.800 7.951 -0.151 17583
417 1 5 . 1 1 6 6 SER N N 6 114.289 114.289 115.938 -1.649 17583
418 1 5 . 1 1 6 6 SER HA H 6 4.048 4.048 4.352 -0.304 17583
419 1 5 . 1 1 6 6 SER C C 6 177.970 177.970 176.448 1.522 17583
420 1 5 . 1 1 6 6 SER CA C 6 61.815 61.815 61.156 0.659 17583
421 1 5 . 1 1 6 6 SER CB C 6 62.648 62.648 62.873 -0.226 17583
422 1 5 . 1 1 6 6 SER H H 6 7.829 7.829 8.078 -0.249 17583
423 1 5 . 1 1 7 7 CYS N N 7 117.111 117.111 120.143 -3.032 17583
424 1 5 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.393 -0.371 17583
425 1 5 . 1 1 7 7 CYS C C 7 174.951 174.951 176.587 -1.636 17583
426 1 5 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.871 -3.535 17583
427 1 5 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.866 6.420 17583
428 1 5 . 1 1 7 7 CYS H H 7 7.198 7.198 7.652 -0.454 17583
429 1 5 . 1 1 8 8 LEU N N 8 119.586 119.586 121.999 -2.413 17583
430 1 5 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.118 -0.085 17583
431 1 5 . 1 1 8 8 LEU C C 8 174.628 174.628 178.432 -3.804 17583
432 1 5 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.011 -0.358 17583
433 1 5 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.042 0.068 17583
434 1 5 . 1 1 8 8 LEU H H 8 7.801 7.801 7.760 0.041 17583
435 1 5 . 1 1 9 9 VAL N N 9 115.037 115.037 118.379 -3.342 17583
436 1 5 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.789 -0.020 17583
437 1 5 . 1 1 9 9 VAL C C 9 178.641 178.641 177.530 1.111 17583
438 1 5 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.082 -0.378 17583
439 1 5 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.233 0.354 17583
440 1 5 . 1 1 9 9 VAL H H 9 7.743 7.743 7.824 -0.081 17583
441 1 5 . 1 1 10 10 CYS N N 10 117.287 117.287 118.528 -1.241 17583
442 1 5 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.227 -0.188 17583
443 1 5 . 1 1 10 10 CYS C C 10 176.537 176.537 176.385 0.152 17583
444 1 5 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.748 -3.832 17583
445 1 5 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.143 6.850 17583
446 1 5 . 1 1 10 10 CYS H H 10 7.243 7.243 7.752 -0.509 17583
447 1 5 . 1 1 11 11 ALA N N 11 120.225 120.225 122.732 -2.507 17583
448 1 5 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.132 -0.148 17583
449 1 5 . 1 1 11 11 ALA C C 11 174.565 174.565 178.168 -3.603 17583
450 1 5 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.947 0.240 17583
451 1 5 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.139 -0.504 17583
452 1 5 . 1 1 11 11 ALA H H 11 7.878 7.878 7.805 0.073 17583
453 1 5 . 1 1 12 12 ALA N N 12 116.658 116.658 120.311 -3.653 17583
454 1 5 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.204 -0.089 17583
455 1 5 . 1 1 12 12 ALA C C 12 177.085 177.085 177.495 -0.410 17583
456 1 5 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.565 0.451 17583
457 1 5 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.290 -1.422 17583
458 1 5 . 1 1 12 12 ALA H H 12 7.761 7.761 7.593 0.168 17583
459 1 5 . 1 1 13 13 CYS N N 13 116.103 116.103 119.371 -3.268 17583
460 1 5 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.395 -0.182 17583
461 1 5 . 1 1 13 13 CYS C C 13 177.660 177.660 175.202 2.458 17583
462 1 5 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.063 -4.161 17583
463 1 5 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.915 7.489 17583
464 1 5 . 1 1 13 13 CYS H H 13 7.216 7.216 7.590 -0.374 17583
465 1 5 . 1 1 14 14 SER HA H 14 4.082 4.082 4.537 -0.455 17583
466 1 5 . 1 1 14 14 SER CA C 14 58.706 58.706 59.214 -0.507 17583
467 1 5 . 1 1 14 14 SER CB C 14 63.625 63.625 64.007 -0.382 17583
468 1 5 . 1 1 15 15 VAL N N 15 116.083 116.083 120.588 -4.505 17583
469 1 5 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.210 -0.208 17583
470 1 5 . 1 1 15 15 VAL C C 15 174.575 174.575 176.543 -1.968 17583
471 1 5 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.890 -0.238 17583
472 1 5 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.128 0.276 17583
473 1 5 . 1 1 15 15 VAL H H 15 7.892 7.892 8.166 -0.274 17583
474 1 5 . 1 1 16 16 GLU N N 16 118.503 118.503 118.477 0.026 17583
475 1 5 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.530 -0.238 17583
476 1 5 . 1 1 16 16 GLU C C 16 175.097 175.097 175.396 -0.299 17583
477 1 5 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.695 -0.155 17583
478 1 5 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.383 -4.837 17583
479 1 5 . 1 1 16 16 GLU H H 16 7.943 7.943 7.634 0.309 17583
480 1 5 . 1 1 17 17 LEU N N 17 117.302 117.302 122.407 -5.105 17583
481 1 5 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.361 -0.290 17583
482 1 5 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.640 2.090 17583
483 1 5 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.622 -0.466 17583
484 1 5 . 1 1 17 17 LEU H H 17 7.757 7.757 8.446 -0.689 17583
485 1 5 . 1 1 30 30 ALA N N 30 122.010 122.010 125.549 -3.539 17583
486 1 5 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.328 -0.082 17583
487 1 5 . 1 1 30 30 ALA C C 30 173.587 173.587 178.009 -4.422 17583
488 1 5 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.705 -0.544 17583
489 1 5 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.492 -0.701 17583
490 1 5 . 1 1 30 30 ALA H H 30 7.469 7.469 7.807 -0.338 17583
491 1 6 . 1 1 2 2 TRP N N 2 124.885 124.885 120.926 3.959 17583
492 1 6 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.912 -0.497 17583
493 1 6 . 1 1 2 2 TRP C C 2 173.011 173.011 174.661 -1.650 17583
494 1 6 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.715 1.847 17583
495 1 6 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.553 -0.513 17583
496 1 6 . 1 1 2 2 TRP H H 2 8.943 8.943 7.816 1.127 17583
497 1 6 . 1 1 3 3 THR N N 3 110.912 110.912 115.963 -5.051 17583
498 1 6 . 1 1 3 3 THR HA H 3 3.862 3.862 4.619 -0.757 17583
499 1 6 . 1 1 3 3 THR C C 3 176.563 176.563 174.787 1.776 17583
500 1 6 . 1 1 3 3 THR CA C 3 63.637 63.637 61.891 1.746 17583
501 1 6 . 1 1 3 3 THR CB C 3 68.670 68.670 69.922 -1.252 17583
502 1 6 . 1 1 3 3 THR H H 3 7.416 7.416 7.924 -0.508 17583
503 1 6 . 1 1 4 4 CYS N N 4 117.936 117.936 121.064 -3.128 17583
504 1 6 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.418 -0.301 17583
505 1 6 . 1 1 4 4 CYS C C 4 176.371 176.371 176.508 -0.137 17583
506 1 6 . 1 1 4 4 CYS CA C 4 57.770 57.770 59.523 -1.753 17583
507 1 6 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.870 6.614 17583
508 1 6 . 1 1 4 4 CYS H H 4 7.753 7.753 8.882 -1.129 17583
509 1 6 . 1 1 5 5 TRP N N 5 118.457 118.457 120.990 -2.533 17583
510 1 6 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.439 -0.199 17583
511 1 6 . 1 1 5 5 TRP C C 5 175.831 175.831 178.834 -3.003 17583
512 1 6 . 1 1 5 5 TRP CA C 5 60.127 60.127 60.228 -0.102 17583
513 1 6 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.076 -0.487 17583
514 1 6 . 1 1 5 5 TRP H H 5 7.800 7.800 7.912 -0.112 17583
515 1 6 . 1 1 6 6 SER N N 6 114.289 114.289 116.268 -1.979 17583
516 1 6 . 1 1 6 6 SER HA H 6 4.048 4.048 4.359 -0.311 17583
517 1 6 . 1 1 6 6 SER C C 6 177.970 177.970 176.587 1.383 17583
518 1 6 . 1 1 6 6 SER CA C 6 61.815 61.815 61.094 0.720 17583
519 1 6 . 1 1 6 6 SER CB C 6 62.648 62.648 62.736 -0.088 17583
520 1 6 . 1 1 6 6 SER H H 6 7.829 7.829 8.161 -0.332 17583
521 1 6 . 1 1 7 7 CYS N N 7 117.111 117.111 120.792 -3.681 17583
522 1 6 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.354 -0.332 17583
523 1 6 . 1 1 7 7 CYS C C 7 174.951 174.951 176.378 -1.427 17583
524 1 6 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.199 -3.863 17583
525 1 6 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.914 6.372 17583
526 1 6 . 1 1 7 7 CYS H H 7 7.198 7.198 7.831 -0.633 17583
527 1 6 . 1 1 8 8 LEU N N 8 119.586 119.586 122.060 -2.474 17583
528 1 6 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.070 -0.037 17583
529 1 6 . 1 1 8 8 LEU C C 8 174.628 174.628 178.448 -3.820 17583
530 1 6 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.220 -0.567 17583
531 1 6 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.986 0.124 17583
532 1 6 . 1 1 8 8 LEU H H 8 7.801 7.801 7.803 -0.002 17583
533 1 6 . 1 1 9 9 VAL N N 9 115.037 115.037 118.404 -3.367 17583
534 1 6 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.796 -0.027 17583
535 1 6 . 1 1 9 9 VAL C C 9 178.641 178.641 177.706 0.935 17583
536 1 6 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.436 -0.732 17583
537 1 6 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.745 -0.159 17583
538 1 6 . 1 1 9 9 VAL H H 9 7.743 7.743 7.785 -0.042 17583
539 1 6 . 1 1 10 10 CYS N N 10 117.287 117.287 118.170 -0.883 17583
540 1 6 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.236 -0.197 17583
541 1 6 . 1 1 10 10 CYS C C 10 176.537 176.537 176.431 0.106 17583
542 1 6 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.164 -4.247 17583
543 1 6 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.956 7.037 17583
544 1 6 . 1 1 10 10 CYS H H 10 7.243 7.243 7.483 -0.240 17583
545 1 6 . 1 1 11 11 ALA N N 11 120.225 120.225 121.102 -0.877 17583
546 1 6 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.145 -0.161 17583
547 1 6 . 1 1 11 11 ALA C C 11 174.565 174.565 177.687 -3.122 17583
548 1 6 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.448 0.739 17583
549 1 6 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.479 -0.844 17583
550 1 6 . 1 1 11 11 ALA H H 11 7.878 7.878 7.536 0.342 17583
551 1 6 . 1 1 12 12 ALA N N 12 116.658 116.658 119.145 -2.487 17583
552 1 6 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.274 -0.159 17583
553 1 6 . 1 1 12 12 ALA C C 12 177.085 177.085 177.947 -0.862 17583
554 1 6 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.505 0.511 17583
555 1 6 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.209 -1.341 17583
556 1 6 . 1 1 12 12 ALA H H 12 7.761 7.761 7.310 0.451 17583
557 1 6 . 1 1 13 13 CYS N N 13 116.103 116.103 119.017 -2.914 17583
558 1 6 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.373 -0.160 17583
559 1 6 . 1 1 13 13 CYS C C 13 177.660 177.660 175.015 2.645 17583
560 1 6 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.209 -4.307 17583
561 1 6 . 1 1 13 13 CYS CB C 13 32.403 32.403 25.096 7.307 17583
562 1 6 . 1 1 13 13 CYS H H 13 7.216 7.216 7.606 -0.390 17583
563 1 6 . 1 1 14 14 SER HA H 14 4.082 4.082 4.537 -0.455 17583
564 1 6 . 1 1 14 14 SER CA C 14 58.706 58.706 59.276 -0.570 17583
565 1 6 . 1 1 14 14 SER CB C 14 63.625 63.625 63.997 -0.372 17583
566 1 6 . 1 1 15 15 VAL N N 15 116.083 116.083 117.952 -1.869 17583
567 1 6 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.228 -0.226 17583
568 1 6 . 1 1 15 15 VAL C C 15 174.575 174.575 175.875 -1.300 17583
569 1 6 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.175 0.478 17583
570 1 6 . 1 1 15 15 VAL CB C 15 32.404 32.404 31.998 0.406 17583
571 1 6 . 1 1 15 15 VAL H H 15 7.892 7.892 8.175 -0.283 17583
572 1 6 . 1 1 16 16 GLU N N 16 118.503 118.503 118.752 -0.249 17583
573 1 6 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.451 -0.159 17583
574 1 6 . 1 1 16 16 GLU C C 16 175.097 175.097 175.090 0.007 17583
575 1 6 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.291 0.249 17583
576 1 6 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.791 -4.245 17583
577 1 6 . 1 1 16 16 GLU H H 16 7.943 7.943 7.780 0.163 17583
578 1 6 . 1 1 17 17 LEU N N 17 117.302 117.302 119.533 -2.231 17583
579 1 6 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.434 -0.363 17583
580 1 6 . 1 1 17 17 LEU CA C 17 57.730 57.730 54.884 2.846 17583
581 1 6 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.282 -0.127 17583
582 1 6 . 1 1 17 17 LEU H H 17 7.757 7.757 8.531 -0.774 17583
583 1 6 . 1 1 30 30 ALA N N 30 122.010 122.010 127.274 -5.264 17583
584 1 6 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.480 -0.234 17583
585 1 6 . 1 1 30 30 ALA C C 30 173.587 173.587 176.924 -3.337 17583
586 1 6 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.137 0.023 17583
587 1 6 . 1 1 30 30 ALA CB C 30 18.791 18.791 17.790 1.001 17583
588 1 6 . 1 1 30 30 ALA H H 30 7.469 7.469 8.116 -0.647 17583
589 1 7 . 1 1 2 2 TRP N N 2 124.885 124.885 122.577 2.308 17583
590 1 7 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.401 0.014 17583
591 1 7 . 1 1 2 2 TRP C C 2 173.011 173.011 176.290 -3.279 17583
592 1 7 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.871 1.691 17583
593 1 7 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.700 -0.660 17583
594 1 7 . 1 1 2 2 TRP H H 2 8.943 8.943 8.692 0.251 17583
595 1 7 . 1 1 3 3 THR N N 3 110.912 110.912 107.529 3.383 17583
596 1 7 . 1 1 3 3 THR HA H 3 3.862 3.862 4.151 -0.289 17583
597 1 7 . 1 1 3 3 THR C C 3 176.563 176.563 173.662 2.901 17583
598 1 7 . 1 1 3 3 THR CA C 3 63.637 63.637 60.638 2.999 17583
599 1 7 . 1 1 3 3 THR CB C 3 68.670 68.670 69.050 -0.380 17583
600 1 7 . 1 1 3 3 THR H H 3 7.416 7.416 7.525 -0.109 17583
601 1 7 . 1 1 4 4 CYS N N 4 117.936 117.936 118.805 -0.869 17583
602 1 7 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.285 -0.168 17583
603 1 7 . 1 1 4 4 CYS C C 4 176.371 176.371 176.569 -0.198 17583
604 1 7 . 1 1 4 4 CYS CA C 4 57.770 57.770 61.469 -3.700 17583
605 1 7 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.881 6.603 17583
606 1 7 . 1 1 4 4 CYS H H 4 7.753 7.753 8.081 -0.328 17583
607 1 7 . 1 1 5 5 TRP N N 5 118.457 118.457 120.696 -2.239 17583
608 1 7 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.451 -0.211 17583
609 1 7 . 1 1 5 5 TRP C C 5 175.831 175.831 178.159 -2.328 17583
610 1 7 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.578 0.548 17583
611 1 7 . 1 1 5 5 TRP CB C 5 28.589 28.589 27.953 0.636 17583
612 1 7 . 1 1 5 5 TRP H H 5 7.800 7.800 7.738 0.062 17583
613 1 7 . 1 1 6 6 SER N N 6 114.289 114.289 116.328 -2.039 17583
614 1 7 . 1 1 6 6 SER HA H 6 4.048 4.048 4.420 -0.372 17583
615 1 7 . 1 1 6 6 SER C C 6 177.970 177.970 176.128 1.842 17583
616 1 7 . 1 1 6 6 SER CA C 6 61.815 61.815 60.806 1.009 17583
617 1 7 . 1 1 6 6 SER CB C 6 62.648 62.648 62.717 -0.069 17583
618 1 7 . 1 1 6 6 SER H H 6 7.829 7.829 7.577 0.252 17583
619 1 7 . 1 1 7 7 CYS N N 7 117.111 117.111 121.236 -4.125 17583
620 1 7 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.359 -0.337 17583
621 1 7 . 1 1 7 7 CYS C C 7 174.951 174.951 177.160 -2.209 17583
622 1 7 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.773 -3.437 17583
623 1 7 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.271 7.015 17583
624 1 7 . 1 1 7 7 CYS H H 7 7.198 7.198 7.639 -0.441 17583
625 1 7 . 1 1 8 8 LEU N N 8 119.586 119.586 121.508 -1.922 17583
626 1 7 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.194 -0.161 17583
627 1 7 . 1 1 8 8 LEU C C 8 174.628 174.628 178.308 -3.680 17583
628 1 7 . 1 1 8 8 LEU CA C 8 57.653 57.653 57.926 -0.273 17583
629 1 7 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.051 1.059 17583
630 1 7 . 1 1 8 8 LEU H H 8 7.801 7.801 8.056 -0.255 17583
631 1 7 . 1 1 9 9 VAL N N 9 115.037 115.037 119.605 -4.568 17583
632 1 7 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.817 -0.048 17583
633 1 7 . 1 1 9 9 VAL C C 9 178.641 178.641 177.366 1.275 17583
634 1 7 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.942 -1.238 17583
635 1 7 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.929 -0.342 17583
636 1 7 . 1 1 9 9 VAL H H 9 7.743 7.743 7.743 -0.000 17583
637 1 7 . 1 1 10 10 CYS N N 10 117.287 117.287 117.778 -0.491 17583
638 1 7 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.254 -0.215 17583
639 1 7 . 1 1 10 10 CYS C C 10 176.537 176.537 176.706 -0.169 17583
640 1 7 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.345 -4.428 17583
641 1 7 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.934 7.059 17583
642 1 7 . 1 1 10 10 CYS H H 10 7.243 7.243 7.853 -0.610 17583
643 1 7 . 1 1 11 11 ALA N N 11 120.225 120.225 121.796 -1.571 17583
644 1 7 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.129 -0.145 17583
645 1 7 . 1 1 11 11 ALA C C 11 174.565 174.565 177.777 -3.212 17583
646 1 7 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.767 0.419 17583
647 1 7 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.379 -0.744 17583
648 1 7 . 1 1 11 11 ALA H H 11 7.878 7.878 7.564 0.314 17583
649 1 7 . 1 1 12 12 ALA N N 12 116.658 116.658 119.028 -2.370 17583
650 1 7 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.285 -0.170 17583
651 1 7 . 1 1 12 12 ALA C C 12 177.085 177.085 177.936 -0.851 17583
652 1 7 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.548 0.468 17583
653 1 7 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.284 -1.415 17583
654 1 7 . 1 1 12 12 ALA H H 12 7.761 7.761 7.338 0.423 17583
655 1 7 . 1 1 13 13 CYS N N 13 116.103 116.103 119.030 -2.927 17583
656 1 7 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.385 -0.172 17583
657 1 7 . 1 1 13 13 CYS C C 13 177.660 177.660 174.736 2.924 17583
658 1 7 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.491 -4.589 17583
659 1 7 . 1 1 13 13 CYS CB C 13 32.403 32.403 25.130 7.273 17583
660 1 7 . 1 1 13 13 CYS H H 13 7.216 7.216 7.607 -0.391 17583
661 1 7 . 1 1 14 14 SER HA H 14 4.082 4.082 4.493 -0.411 17583
662 1 7 . 1 1 14 14 SER CA C 14 58.706 58.706 59.125 -0.419 17583
663 1 7 . 1 1 14 14 SER CB C 14 63.625 63.625 63.925 -0.300 17583
664 1 7 . 1 1 15 15 VAL N N 15 116.083 116.083 121.334 -5.251 17583
665 1 7 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.120 -0.118 17583
666 1 7 . 1 1 15 15 VAL C C 15 174.575 174.575 176.236 -1.661 17583
667 1 7 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.722 -0.070 17583
668 1 7 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.190 0.214 17583
669 1 7 . 1 1 15 15 VAL H H 15 7.892 7.892 8.260 -0.368 17583
670 1 7 . 1 1 16 16 GLU N N 16 118.503 118.503 118.232 0.271 17583
671 1 7 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.462 -0.170 17583
672 1 7 . 1 1 16 16 GLU C C 16 175.097 175.097 174.988 0.109 17583
673 1 7 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.296 0.244 17583
674 1 7 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.121 -4.575 17583
675 1 7 . 1 1 16 16 GLU H H 16 7.943 7.943 7.724 0.219 17583
676 1 7 . 1 1 17 17 LEU N N 17 117.302 117.302 118.901 -1.599 17583
677 1 7 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.470 -0.399 17583
678 1 7 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.184 2.546 17583
679 1 7 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.269 -0.113 17583
680 1 7 . 1 1 17 17 LEU H H 17 7.757 7.757 8.444 -0.687 17583
681 1 7 . 1 1 30 30 ALA N N 30 122.010 122.010 124.113 -2.103 17583
682 1 7 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.449 -0.203 17583
683 1 7 . 1 1 30 30 ALA C C 30 173.587 173.587 178.114 -4.527 17583
684 1 7 . 1 1 30 30 ALA CA C 30 52.160 52.160 53.016 -0.856 17583
685 1 7 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.589 -0.798 17583
686 1 7 . 1 1 30 30 ALA H H 30 7.469 7.469 8.199 -0.730 17583
687 1 8 . 1 1 2 2 TRP N N 2 124.885 124.885 123.513 1.372 17583
688 1 8 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.635 -0.220 17583
689 1 8 . 1 1 2 2 TRP C C 2 173.011 173.011 176.843 -3.832 17583
690 1 8 . 1 1 2 2 TRP CA C 2 59.562 59.562 56.845 2.717 17583
691 1 8 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.908 -0.868 17583
692 1 8 . 1 1 2 2 TRP H H 2 8.943 8.943 8.209 0.734 17583
693 1 8 . 1 1 3 3 THR N N 3 110.912 110.912 115.354 -4.442 17583
694 1 8 . 1 1 3 3 THR HA H 3 3.862 3.862 4.541 -0.679 17583
695 1 8 . 1 1 3 3 THR C C 3 176.563 176.563 175.835 0.728 17583
696 1 8 . 1 1 3 3 THR CA C 3 63.637 63.637 61.762 1.875 17583
697 1 8 . 1 1 3 3 THR CB C 3 68.670 68.670 70.239 -1.569 17583
698 1 8 . 1 1 3 3 THR H H 3 7.416 7.416 8.343 -0.927 17583
699 1 8 . 1 1 4 4 CYS N N 4 117.936 117.936 122.534 -4.598 17583
700 1 8 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.302 -0.185 17583
701 1 8 . 1 1 4 4 CYS C C 4 176.371 176.371 176.821 -0.450 17583
702 1 8 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.442 -2.672 17583
703 1 8 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.276 7.208 17583
704 1 8 . 1 1 4 4 CYS H H 4 7.753 7.753 9.047 -1.294 17583
705 1 8 . 1 1 5 5 TRP N N 5 118.457 118.457 120.955 -2.498 17583
706 1 8 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.473 -0.233 17583
707 1 8 . 1 1 5 5 TRP C C 5 175.831 175.831 178.820 -2.989 17583
708 1 8 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.962 0.165 17583
709 1 8 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.020 -0.431 17583
710 1 8 . 1 1 5 5 TRP H H 5 7.800 7.800 8.384 -0.584 17583
711 1 8 . 1 1 6 6 SER N N 6 114.289 114.289 116.148 -1.859 17583
712 1 8 . 1 1 6 6 SER HA H 6 4.048 4.048 4.365 -0.317 17583
713 1 8 . 1 1 6 6 SER C C 6 177.970 177.970 176.525 1.445 17583
714 1 8 . 1 1 6 6 SER CA C 6 61.815 61.815 61.129 0.686 17583
715 1 8 . 1 1 6 6 SER CB C 6 62.648 62.648 62.795 -0.147 17583
716 1 8 . 1 1 6 6 SER H H 6 7.829 7.829 8.259 -0.430 17583
717 1 8 . 1 1 7 7 CYS N N 7 117.111 117.111 120.721 -3.610 17583
718 1 8 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.310 -0.288 17583
719 1 8 . 1 1 7 7 CYS C C 7 174.951 174.951 176.339 -1.388 17583
720 1 8 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.076 -3.740 17583
721 1 8 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.743 6.543 17583
722 1 8 . 1 1 7 7 CYS H H 7 7.198 7.198 7.706 -0.508 17583
723 1 8 . 1 1 8 8 LEU N N 8 119.586 119.586 122.057 -2.471 17583
724 1 8 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.112 -0.079 17583
725 1 8 . 1 1 8 8 LEU C C 8 174.628 174.628 178.419 -3.791 17583
726 1 8 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.090 -0.437 17583
727 1 8 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.061 0.049 17583
728 1 8 . 1 1 8 8 LEU H H 8 7.801 7.801 7.879 -0.078 17583
729 1 8 . 1 1 9 9 VAL N N 9 115.037 115.037 118.528 -3.491 17583
730 1 8 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.771 -0.002 17583
731 1 8 . 1 1 9 9 VAL C C 9 178.641 178.641 177.782 0.859 17583
732 1 8 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.026 -0.322 17583
733 1 8 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.259 0.328 17583
734 1 8 . 1 1 9 9 VAL H H 9 7.743 7.743 7.801 -0.058 17583
735 1 8 . 1 1 10 10 CYS N N 10 117.287 117.287 118.403 -1.116 17583
736 1 8 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.209 -0.170 17583
737 1 8 . 1 1 10 10 CYS C C 10 176.537 176.537 176.548 -0.011 17583
738 1 8 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.882 -3.965 17583
739 1 8 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.075 6.918 17583
740 1 8 . 1 1 10 10 CYS H H 10 7.243 7.243 7.522 -0.279 17583
741 1 8 . 1 1 11 11 ALA N N 11 120.225 120.225 121.542 -1.317 17583
742 1 8 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.103 -0.119 17583
743 1 8 . 1 1 11 11 ALA C C 11 174.565 174.565 177.875 -3.310 17583
744 1 8 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.722 0.465 17583
745 1 8 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.304 -0.669 17583
746 1 8 . 1 1 11 11 ALA H H 11 7.878 7.878 7.586 0.292 17583
747 1 8 . 1 1 12 12 ALA N N 12 116.658 116.658 119.330 -2.672 17583
748 1 8 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.207 -0.092 17583
749 1 8 . 1 1 12 12 ALA C C 12 177.085 177.085 177.033 0.052 17583
750 1 8 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.286 0.730 17583
751 1 8 . 1 1 12 12 ALA CB C 12 17.868 17.868 18.846 -0.978 17583
752 1 8 . 1 1 12 12 ALA H H 12 7.761 7.761 7.333 0.428 17583
753 1 8 . 1 1 13 13 CYS N N 13 116.103 116.103 119.049 -2.946 17583
754 1 8 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.368 -0.155 17583
755 1 8 . 1 1 13 13 CYS C C 13 177.660 177.660 174.597 3.063 17583
756 1 8 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.663 -4.761 17583
757 1 8 . 1 1 13 13 CYS CB C 13 32.403 32.403 26.229 6.174 17583
758 1 8 . 1 1 13 13 CYS H H 13 7.216 7.216 7.612 -0.396 17583
759 1 8 . 1 1 14 14 SER HA H 14 4.082 4.082 4.554 -0.472 17583
760 1 8 . 1 1 14 14 SER CA C 14 58.706 58.706 59.939 -1.233 17583
761 1 8 . 1 1 14 14 SER CB C 14 63.625 63.625 64.304 -0.679 17583
762 1 8 . 1 1 15 15 VAL N N 15 116.083 116.083 118.545 -2.462 17583
763 1 8 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.251 -0.249 17583
764 1 8 . 1 1 15 15 VAL C C 15 174.575 174.575 175.214 -0.639 17583
765 1 8 . 1 1 15 15 VAL CA C 15 63.652 63.652 62.225 1.427 17583
766 1 8 . 1 1 15 15 VAL CB C 15 32.404 32.404 31.687 0.717 17583
767 1 8 . 1 1 15 15 VAL H H 15 7.892 7.892 7.958 -0.066 17583
768 1 8 . 1 1 16 16 GLU N N 16 118.503 118.503 118.533 -0.030 17583
769 1 8 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.449 -0.157 17583
770 1 8 . 1 1 16 16 GLU C C 16 175.097 175.097 175.614 -0.517 17583
771 1 8 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.277 0.263 17583
772 1 8 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.807 -4.261 17583
773 1 8 . 1 1 16 16 GLU H H 16 7.943 7.943 7.679 0.264 17583
774 1 8 . 1 1 17 17 LEU N N 17 117.302 117.302 123.048 -5.746 17583
775 1 8 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.243 -0.172 17583
776 1 8 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.887 1.843 17583
777 1 8 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.019 0.137 17583
778 1 8 . 1 1 17 17 LEU H H 17 7.757 7.757 8.751 -0.994 17583
779 1 8 . 1 1 30 30 ALA N N 30 122.010 122.010 124.753 -2.743 17583
780 1 8 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.342 -0.096 17583
781 1 8 . 1 1 30 30 ALA C C 30 173.587 173.587 178.018 -4.431 17583
782 1 8 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.496 -0.336 17583
783 1 8 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.604 -0.813 17583
784 1 8 . 1 1 30 30 ALA H H 30 7.469 7.469 8.080 -0.611 17583
785 1 9 . 1 1 2 2 TRP N N 2 124.885 124.885 123.122 1.763 17583
786 1 9 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.617 -0.202 17583
787 1 9 . 1 1 2 2 TRP C C 2 173.011 173.011 176.898 -3.887 17583
788 1 9 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.051 2.511 17583
789 1 9 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.970 -0.930 17583
790 1 9 . 1 1 2 2 TRP H H 2 8.943 8.943 8.357 0.586 17583
791 1 9 . 1 1 3 3 THR N N 3 110.912 110.912 116.635 -5.723 17583
792 1 9 . 1 1 3 3 THR HA H 3 3.862 3.862 4.433 -0.571 17583
793 1 9 . 1 1 3 3 THR C C 3 176.563 176.563 175.375 1.188 17583
794 1 9 . 1 1 3 3 THR CA C 3 63.637 63.637 61.651 1.986 17583
795 1 9 . 1 1 3 3 THR CB C 3 68.670 68.670 70.643 -1.973 17583
796 1 9 . 1 1 3 3 THR H H 3 7.416 7.416 8.136 -0.720 17583
797 1 9 . 1 1 4 4 CYS N N 4 117.936 117.936 120.739 -2.803 17583
798 1 9 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.271 -0.154 17583
799 1 9 . 1 1 4 4 CYS C C 4 176.371 176.371 176.536 -0.165 17583
800 1 9 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.745 -2.974 17583
801 1 9 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.317 7.167 17583
802 1 9 . 1 1 4 4 CYS H H 4 7.753 7.753 8.836 -1.083 17583
803 1 9 . 1 1 5 5 TRP N N 5 118.457 118.457 120.529 -2.072 17583
804 1 9 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.524 -0.284 17583
805 1 9 . 1 1 5 5 TRP C C 5 175.831 175.831 178.518 -2.687 17583
806 1 9 . 1 1 5 5 TRP CA C 5 60.127 60.127 58.927 1.200 17583
807 1 9 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.852 -0.264 17583
808 1 9 . 1 1 5 5 TRP H H 5 7.800 7.800 8.389 -0.589 17583
809 1 9 . 1 1 6 6 SER N N 6 114.289 114.289 116.025 -1.736 17583
810 1 9 . 1 1 6 6 SER HA H 6 4.048 4.048 4.364 -0.316 17583
811 1 9 . 1 1 6 6 SER C C 6 177.970 177.970 176.444 1.526 17583
812 1 9 . 1 1 6 6 SER CA C 6 61.815 61.815 61.403 0.412 17583
813 1 9 . 1 1 6 6 SER CB C 6 62.648 62.648 62.271 0.377 17583
814 1 9 . 1 1 6 6 SER H H 6 7.829 7.829 8.145 -0.316 17583
815 1 9 . 1 1 7 7 CYS N N 7 117.111 117.111 121.653 -4.542 17583
816 1 9 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.387 -0.365 17583
817 1 9 . 1 1 7 7 CYS C C 7 174.951 174.951 177.223 -2.272 17583
818 1 9 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.103 -3.767 17583
819 1 9 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.235 7.051 17583
820 1 9 . 1 1 7 7 CYS H H 7 7.198 7.198 7.635 -0.437 17583
821 1 9 . 1 1 8 8 LEU N N 8 119.586 119.586 121.187 -1.601 17583
822 1 9 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.214 -0.181 17583
823 1 9 . 1 1 8 8 LEU C C 8 174.628 174.628 178.467 -3.839 17583
824 1 9 . 1 1 8 8 LEU CA C 8 57.653 57.653 57.971 -0.318 17583
825 1 9 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.032 1.078 17583
826 1 9 . 1 1 8 8 LEU H H 8 7.801 7.801 8.087 -0.286 17583
827 1 9 . 1 1 9 9 VAL N N 9 115.037 115.037 120.142 -5.105 17583
828 1 9 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.846 -0.077 17583
829 1 9 . 1 1 9 9 VAL C C 9 178.641 178.641 177.630 1.011 17583
830 1 9 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.630 0.074 17583
831 1 9 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.016 0.571 17583
832 1 9 . 1 1 9 9 VAL H H 9 7.743 7.743 7.778 -0.035 17583
833 1 9 . 1 1 10 10 CYS N N 10 117.287 117.287 117.863 -0.576 17583
834 1 9 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.240 -0.201 17583
835 1 9 . 1 1 10 10 CYS C C 10 176.537 176.537 176.745 -0.208 17583
836 1 9 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.464 -4.547 17583
837 1 9 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.020 6.973 17583
838 1 9 . 1 1 10 10 CYS H H 10 7.243 7.243 7.848 -0.605 17583
839 1 9 . 1 1 11 11 ALA N N 11 120.225 120.225 122.900 -2.675 17583
840 1 9 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.137 -0.153 17583
841 1 9 . 1 1 11 11 ALA C C 11 174.565 174.565 178.262 -3.697 17583
842 1 9 . 1 1 11 11 ALA CA C 11 54.187 54.187 54.148 0.039 17583
843 1 9 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.032 -0.397 17583
844 1 9 . 1 1 11 11 ALA H H 11 7.878 7.878 7.778 0.100 17583
845 1 9 . 1 1 12 12 ALA N N 12 116.658 116.658 120.003 -3.345 17583
846 1 9 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.240 -0.125 17583
847 1 9 . 1 1 12 12 ALA C C 12 177.085 177.085 177.594 -0.509 17583
848 1 9 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.257 0.759 17583
849 1 9 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.211 -1.343 17583
850 1 9 . 1 1 12 12 ALA H H 12 7.761 7.761 7.562 0.199 17583
851 1 9 . 1 1 13 13 CYS N N 13 116.103 116.103 118.993 -2.890 17583
852 1 9 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.441 -0.228 17583
853 1 9 . 1 1 13 13 CYS C C 13 177.660 177.660 174.616 3.044 17583
854 1 9 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.526 -4.624 17583
855 1 9 . 1 1 13 13 CYS CB C 13 32.403 32.403 26.534 5.870 17583
856 1 9 . 1 1 13 13 CYS H H 13 7.216 7.216 7.536 -0.320 17583
857 1 9 . 1 1 14 14 SER HA H 14 4.082 4.082 4.540 -0.458 17583
858 1 9 . 1 1 14 14 SER CA C 14 58.706 58.706 59.331 -0.625 17583
859 1 9 . 1 1 14 14 SER CB C 14 63.625 63.625 63.650 -0.025 17583
860 1 9 . 1 1 15 15 VAL N N 15 116.083 116.083 119.855 -3.772 17583
861 1 9 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.252 -0.250 17583
862 1 9 . 1 1 15 15 VAL C C 15 174.575 174.575 175.683 -1.108 17583
863 1 9 . 1 1 15 15 VAL CA C 15 63.652 63.652 62.899 0.753 17583
864 1 9 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.177 0.227 17583
865 1 9 . 1 1 15 15 VAL H H 15 7.892 7.892 7.877 0.015 17583
866 1 9 . 1 1 16 16 GLU N N 16 118.503 118.503 119.263 -0.760 17583
867 1 9 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.542 -0.250 17583
868 1 9 . 1 1 16 16 GLU C C 16 175.097 175.097 175.508 -0.411 17583
869 1 9 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.793 -0.253 17583
870 1 9 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.979 -4.433 17583
871 1 9 . 1 1 16 16 GLU H H 16 7.943 7.943 7.656 0.287 17583
872 1 9 . 1 1 17 17 LEU N N 17 117.302 117.302 124.737 -7.435 17583
873 1 9 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.382 -0.311 17583
874 1 9 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.028 1.702 17583
875 1 9 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.530 -0.374 17583
876 1 9 . 1 1 17 17 LEU H H 17 7.757 7.757 8.586 -0.829 17583
877 1 9 . 1 1 30 30 ALA N N 30 122.010 122.010 125.784 -3.774 17583
878 1 9 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.289 -0.043 17583
879 1 9 . 1 1 30 30 ALA C C 30 173.587 173.587 178.073 -4.486 17583
880 1 9 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.792 -0.632 17583
881 1 9 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.619 -0.828 17583
882 1 9 . 1 1 30 30 ALA H H 30 7.469 7.469 8.067 -0.598 17583
883 1 10 . 1 1 2 2 TRP N N 2 124.885 124.885 121.551 3.334 17583
884 1 10 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.609 -0.194 17583
885 1 10 . 1 1 2 2 TRP C C 2 173.011 173.011 176.390 -3.379 17583
886 1 10 . 1 1 2 2 TRP CA C 2 59.562 59.562 58.232 1.330 17583
887 1 10 . 1 1 2 2 TRP CB C 2 29.040 29.040 30.110 -1.071 17583
888 1 10 . 1 1 2 2 TRP H H 2 8.943 8.943 8.345 0.598 17583
889 1 10 . 1 1 3 3 THR N N 3 110.912 110.912 107.500 3.412 17583
890 1 10 . 1 1 3 3 THR HA H 3 3.862 3.862 4.618 -0.756 17583
891 1 10 . 1 1 3 3 THR C C 3 176.563 176.563 174.387 2.176 17583
892 1 10 . 1 1 3 3 THR CA C 3 63.637 63.637 61.548 2.089 17583
893 1 10 . 1 1 3 3 THR CB C 3 68.670 68.670 70.918 -2.248 17583
894 1 10 . 1 1 3 3 THR H H 3 7.416 7.416 7.931 -0.515 17583
895 1 10 . 1 1 4 4 CYS N N 4 117.936 117.936 121.343 -3.407 17583
896 1 10 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.418 -0.301 17583
897 1 10 . 1 1 4 4 CYS C C 4 176.371 176.371 176.597 -0.226 17583
898 1 10 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.487 -2.717 17583
899 1 10 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.563 6.921 17583
900 1 10 . 1 1 4 4 CYS H H 4 7.753 7.753 8.920 -1.167 17583
901 1 10 . 1 1 5 5 TRP N N 5 118.457 118.457 121.503 -3.046 17583
902 1 10 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.512 -0.272 17583
903 1 10 . 1 1 5 5 TRP C C 5 175.831 175.831 178.631 -2.800 17583
904 1 10 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.925 0.202 17583
905 1 10 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.989 -0.400 17583
906 1 10 . 1 1 5 5 TRP H H 5 7.800 7.800 8.455 -0.655 17583
907 1 10 . 1 1 6 6 SER N N 6 114.289 114.289 116.106 -1.817 17583
908 1 10 . 1 1 6 6 SER HA H 6 4.048 4.048 4.337 -0.289 17583
909 1 10 . 1 1 6 6 SER C C 6 177.970 177.970 176.553 1.417 17583
910 1 10 . 1 1 6 6 SER CA C 6 61.815 61.815 61.819 -0.004 17583
911 1 10 . 1 1 6 6 SER CB C 6 62.648 62.648 62.718 -0.070 17583
912 1 10 . 1 1 6 6 SER H H 6 7.829 7.829 8.222 -0.393 17583
913 1 10 . 1 1 7 7 CYS N N 7 117.111 117.111 120.391 -3.280 17583
914 1 10 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.345 -0.323 17583
915 1 10 . 1 1 7 7 CYS C C 7 174.951 174.951 176.272 -1.321 17583
916 1 10 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.291 -3.955 17583
917 1 10 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.965 6.321 17583
918 1 10 . 1 1 7 7 CYS H H 7 7.198 7.198 7.754 -0.556 17583
919 1 10 . 1 1 8 8 LEU N N 8 119.586 119.586 122.081 -2.495 17583
920 1 10 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.156 -0.123 17583
921 1 10 . 1 1 8 8 LEU C C 8 174.628 174.628 178.484 -3.856 17583
922 1 10 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.257 -0.604 17583
923 1 10 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.077 0.033 17583
924 1 10 . 1 1 8 8 LEU H H 8 7.801 7.801 7.920 -0.119 17583
925 1 10 . 1 1 9 9 VAL N N 9 115.037 115.037 118.981 -3.944 17583
926 1 10 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.864 -0.095 17583
927 1 10 . 1 1 9 9 VAL C C 9 178.641 178.641 177.704 0.937 17583
928 1 10 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.082 0.622 17583
929 1 10 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.892 0.695 17583
930 1 10 . 1 1 9 9 VAL H H 9 7.743 7.743 7.832 -0.089 17583
931 1 10 . 1 1 10 10 CYS N N 10 117.287 117.287 118.431 -1.144 17583
932 1 10 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.187 -0.148 17583
933 1 10 . 1 1 10 10 CYS C C 10 176.537 176.537 176.146 0.391 17583
934 1 10 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.972 -4.055 17583
935 1 10 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.052 6.941 17583
936 1 10 . 1 1 10 10 CYS H H 10 7.243 7.243 7.505 -0.262 17583
937 1 10 . 1 1 11 11 ALA N N 11 120.225 120.225 121.692 -1.467 17583
938 1 10 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.089 -0.105 17583
939 1 10 . 1 1 11 11 ALA C C 11 174.565 174.565 178.083 -3.518 17583
940 1 10 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.792 0.395 17583
941 1 10 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.290 -0.655 17583
942 1 10 . 1 1 11 11 ALA H H 11 7.878 7.878 7.731 0.147 17583
943 1 10 . 1 1 12 12 ALA N N 12 116.658 116.658 119.748 -3.090 17583
944 1 10 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.189 -0.074 17583
945 1 10 . 1 1 12 12 ALA C C 12 177.085 177.085 177.192 -0.107 17583
946 1 10 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.650 0.366 17583
947 1 10 . 1 1 12 12 ALA CB C 12 17.868 17.868 18.556 -0.688 17583
948 1 10 . 1 1 12 12 ALA H H 12 7.761 7.761 7.425 0.336 17583
949 1 10 . 1 1 13 13 CYS N N 13 116.103 116.103 119.702 -3.599 17583
950 1 10 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.406 -0.193 17583
951 1 10 . 1 1 13 13 CYS C C 13 177.660 177.660 174.909 2.751 17583
952 1 10 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.766 -3.864 17583
953 1 10 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.920 7.483 17583
954 1 10 . 1 1 13 13 CYS H H 13 7.216 7.216 7.660 -0.444 17583
955 1 10 . 1 1 14 14 SER HA H 14 4.082 4.082 4.558 -0.476 17583
956 1 10 . 1 1 14 14 SER CA C 14 58.706 58.706 60.273 -1.567 17583
957 1 10 . 1 1 14 14 SER CB C 14 63.625 63.625 63.612 0.013 17583
958 1 10 . 1 1 15 15 VAL N N 15 116.083 116.083 120.064 -3.981 17583
959 1 10 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.030 -0.028 17583
960 1 10 . 1 1 15 15 VAL C C 15 174.575 174.575 175.507 -0.932 17583
961 1 10 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.559 0.093 17583
962 1 10 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.236 0.168 17583
963 1 10 . 1 1 15 15 VAL H H 15 7.892 7.892 8.244 -0.352 17583
964 1 10 . 1 1 16 16 GLU N N 16 118.503 118.503 118.563 -0.060 17583
965 1 10 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.466 -0.174 17583
966 1 10 . 1 1 16 16 GLU C C 16 175.097 175.097 175.687 -0.590 17583
967 1 10 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.830 -0.289 17583
968 1 10 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.482 -4.936 17583
969 1 10 . 1 1 16 16 GLU H H 16 7.943 7.943 7.410 0.533 17583
970 1 10 . 1 1 17 17 LEU N N 17 117.302 117.302 123.367 -6.065 17583
971 1 10 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.367 -0.296 17583
972 1 10 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.037 1.693 17583
973 1 10 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.611 -0.455 17583
974 1 10 . 1 1 17 17 LEU H H 17 7.757 7.757 8.411 -0.653 17583
975 1 10 . 1 1 30 30 ALA N N 30 122.010 122.010 123.963 -1.953 17583
976 1 10 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.348 -0.102 17583
977 1 10 . 1 1 30 30 ALA C C 30 173.587 173.587 177.750 -4.163 17583
978 1 10 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.860 -0.700 17583
979 1 10 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.530 -0.739 17583
980 1 10 . 1 1 30 30 ALA H H 30 7.469 7.469 8.164 -0.695 17583
981 1 11 . 1 1 2 2 TRP N N 2 124.885 124.885 125.868 -0.983 17583
982 1 11 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.478 -0.063 17583
983 1 11 . 1 1 2 2 TRP C C 2 173.011 173.011 175.368 -2.357 17583
984 1 11 . 1 1 2 2 TRP CA C 2 59.562 59.562 58.981 0.581 17583
985 1 11 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.332 -0.292 17583
986 1 11 . 1 1 2 2 TRP H H 2 8.943 8.943 8.773 0.170 17583
987 1 11 . 1 1 3 3 THR N N 3 110.912 110.912 120.863 -9.951 17583
988 1 11 . 1 1 3 3 THR HA H 3 3.862 3.862 3.864 -0.002 17583
989 1 11 . 1 1 3 3 THR C C 3 176.563 176.563 173.805 2.758 17583
990 1 11 . 1 1 3 3 THR CA C 3 63.637 63.637 60.996 2.641 17583
991 1 11 . 1 1 3 3 THR CB C 3 68.670 68.670 70.296 -1.626 17583
992 1 11 . 1 1 3 3 THR H H 3 7.416 7.416 7.716 -0.300 17583
993 1 11 . 1 1 4 4 CYS N N 4 117.936 117.936 120.312 -2.376 17583
994 1 11 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.030 0.087 17583
995 1 11 . 1 1 4 4 CYS C C 4 176.371 176.371 175.965 0.406 17583
996 1 11 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.279 -2.509 17583
997 1 11 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.670 6.814 17583
998 1 11 . 1 1 4 4 CYS H H 4 7.753 7.753 8.462 -0.709 17583
999 1 11 . 1 1 5 5 TRP N N 5 118.457 118.457 120.721 -2.264 17583
1000 1 11 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.448 -0.208 17583
1001 1 11 . 1 1 5 5 TRP C C 5 175.831 175.831 178.449 -2.618 17583
1002 1 11 . 1 1 5 5 TRP CA C 5 60.127 60.127 58.998 1.129 17583
1003 1 11 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.734 -0.145 17583
1004 1 11 . 1 1 5 5 TRP H H 5 7.800 7.800 8.206 -0.406 17583
1005 1 11 . 1 1 6 6 SER N N 6 114.289 114.289 115.764 -1.475 17583
1006 1 11 . 1 1 6 6 SER HA H 6 4.048 4.048 4.261 -0.213 17583
1007 1 11 . 1 1 6 6 SER C C 6 177.970 177.970 176.388 1.582 17583
1008 1 11 . 1 1 6 6 SER CA C 6 61.815 61.815 60.852 0.963 17583
1009 1 11 . 1 1 6 6 SER CB C 6 62.648 62.648 62.555 0.093 17583
1010 1 11 . 1 1 6 6 SER H H 6 7.829 7.829 7.857 -0.028 17583
1011 1 11 . 1 1 7 7 CYS N N 7 117.111 117.111 121.234 -4.123 17583
1012 1 11 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.339 -0.317 17583
1013 1 11 . 1 1 7 7 CYS C C 7 174.951 174.951 177.244 -2.293 17583
1014 1 11 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.756 -3.420 17583
1015 1 11 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.238 7.048 17583
1016 1 11 . 1 1 7 7 CYS H H 7 7.198 7.198 7.637 -0.439 17583
1017 1 11 . 1 1 8 8 LEU N N 8 119.586 119.586 121.443 -1.857 17583
1018 1 11 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.156 -0.123 17583
1019 1 11 . 1 1 8 8 LEU C C 8 174.628 174.628 178.287 -3.659 17583
1020 1 11 . 1 1 8 8 LEU CA C 8 57.653 57.653 57.881 -0.228 17583
1021 1 11 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.021 1.089 17583
1022 1 11 . 1 1 8 8 LEU H H 8 7.801 7.801 8.028 -0.227 17583
1023 1 11 . 1 1 9 9 VAL N N 9 115.037 115.037 119.580 -4.543 17583
1024 1 11 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.771 -0.002 17583
1025 1 11 . 1 1 9 9 VAL C C 9 178.641 178.641 177.351 1.290 17583
1026 1 11 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.947 -1.243 17583
1027 1 11 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.878 -0.291 17583
1028 1 11 . 1 1 9 9 VAL H H 9 7.743 7.743 7.699 0.044 17583
1029 1 11 . 1 1 10 10 CYS N N 10 117.287 117.287 117.781 -0.494 17583
1030 1 11 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.254 -0.215 17583
1031 1 11 . 1 1 10 10 CYS C C 10 176.537 176.537 176.740 -0.203 17583
1032 1 11 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.371 -4.454 17583
1033 1 11 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.951 7.042 17583
1034 1 11 . 1 1 10 10 CYS H H 10 7.243 7.243 7.801 -0.558 17583
1035 1 11 . 1 1 11 11 ALA N N 11 120.225 120.225 121.850 -1.625 17583
1036 1 11 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.101 -0.117 17583
1037 1 11 . 1 1 11 11 ALA C C 11 174.565 174.565 177.756 -3.191 17583
1038 1 11 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.716 0.471 17583
1039 1 11 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.319 -0.684 17583
1040 1 11 . 1 1 11 11 ALA H H 11 7.878 7.878 7.576 0.302 17583
1041 1 11 . 1 1 12 12 ALA N N 12 116.658 116.658 118.731 -2.073 17583
1042 1 11 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.274 -0.159 17583
1043 1 11 . 1 1 12 12 ALA C C 12 177.085 177.085 178.331 -1.246 17583
1044 1 11 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.760 0.256 17583
1045 1 11 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.226 -1.358 17583
1046 1 11 . 1 1 12 12 ALA H H 12 7.761 7.761 7.317 0.444 17583
1047 1 11 . 1 1 13 13 CYS N N 13 116.103 116.103 120.145 -4.042 17583
1048 1 11 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.450 -0.237 17583
1049 1 11 . 1 1 13 13 CYS C C 13 177.660 177.660 175.204 2.456 17583
1050 1 11 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.585 -3.683 17583
1051 1 11 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.665 7.738 17583
1052 1 11 . 1 1 13 13 CYS H H 13 7.216 7.216 7.716 -0.500 17583
1053 1 11 . 1 1 14 14 SER HA H 14 4.082 4.082 4.436 -0.354 17583
1054 1 11 . 1 1 14 14 SER CA C 14 58.706 58.706 60.252 -1.546 17583
1055 1 11 . 1 1 14 14 SER CB C 14 63.625 63.625 63.470 0.155 17583
1056 1 11 . 1 1 15 15 VAL N N 15 116.083 116.083 120.268 -4.185 17583
1057 1 11 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.048 -0.046 17583
1058 1 11 . 1 1 15 15 VAL C C 15 174.575 174.575 176.267 -1.692 17583
1059 1 11 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.851 -0.199 17583
1060 1 11 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.480 -0.076 17583
1061 1 11 . 1 1 15 15 VAL H H 15 7.892 7.892 8.171 -0.279 17583
1062 1 11 . 1 1 16 16 GLU N N 16 118.503 118.503 118.158 0.345 17583
1063 1 11 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.506 -0.214 17583
1064 1 11 . 1 1 16 16 GLU C C 16 175.097 175.097 175.301 -0.204 17583
1065 1 11 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.542 -0.002 17583
1066 1 11 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.211 -4.665 17583
1067 1 11 . 1 1 16 16 GLU H H 16 7.943 7.943 7.559 0.384 17583
1068 1 11 . 1 1 17 17 LEU N N 17 117.302 117.302 121.388 -4.086 17583
1069 1 11 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.462 -0.391 17583
1070 1 11 . 1 1 17 17 LEU CA C 17 57.730 57.730 54.667 3.063 17583
1071 1 11 . 1 1 17 17 LEU CB C 17 42.156 42.156 43.095 -0.939 17583
1072 1 11 . 1 1 17 17 LEU H H 17 7.757 7.757 8.550 -0.793 17583
1073 1 11 . 1 1 30 30 ALA N N 30 122.010 122.010 124.153 -2.143 17583
1074 1 11 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.294 -0.048 17583
1075 1 11 . 1 1 30 30 ALA C C 30 173.587 173.587 177.932 -4.345 17583
1076 1 11 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.593 -0.433 17583
1077 1 11 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.402 -0.611 17583
1078 1 11 . 1 1 30 30 ALA H H 30 7.469 7.469 7.908 -0.439 17583
1079 1 12 . 1 1 2 2 TRP N N 2 124.885 124.885 123.600 1.285 17583
1080 1 12 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.692 -0.277 17583
1081 1 12 . 1 1 2 2 TRP C C 2 173.011 173.011 176.442 -3.431 17583
1082 1 12 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.326 2.236 17583
1083 1 12 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.410 -0.370 17583
1084 1 12 . 1 1 2 2 TRP H H 2 8.943 8.943 8.118 0.825 17583
1085 1 12 . 1 1 3 3 THR N N 3 110.912 110.912 116.624 -5.712 17583
1086 1 12 . 1 1 3 3 THR HA H 3 3.862 3.862 4.678 -0.816 17583
1087 1 12 . 1 1 3 3 THR C C 3 176.563 176.563 174.368 2.195 17583
1088 1 12 . 1 1 3 3 THR CA C 3 63.637 63.637 61.514 2.123 17583
1089 1 12 . 1 1 3 3 THR CB C 3 68.670 68.670 70.559 -1.889 17583
1090 1 12 . 1 1 3 3 THR H H 3 7.416 7.416 8.095 -0.679 17583
1091 1 12 . 1 1 4 4 CYS N N 4 117.936 117.936 120.385 -2.449 17583
1092 1 12 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.334 -0.217 17583
1093 1 12 . 1 1 4 4 CYS C C 4 176.371 176.371 176.609 -0.238 17583
1094 1 12 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.332 -2.562 17583
1095 1 12 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.825 6.659 17583
1096 1 12 . 1 1 4 4 CYS H H 4 7.753 7.753 9.174 -1.421 17583
1097 1 12 . 1 1 5 5 TRP N N 5 118.457 118.457 121.724 -3.267 17583
1098 1 12 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.443 -0.203 17583
1099 1 12 . 1 1 5 5 TRP C C 5 175.831 175.831 178.931 -3.100 17583
1100 1 12 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.923 0.204 17583
1101 1 12 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.043 -0.454 17583
1102 1 12 . 1 1 5 5 TRP H H 5 7.800 7.800 8.312 -0.512 17583
1103 1 12 . 1 1 6 6 SER N N 6 114.289 114.289 115.757 -1.468 17583
1104 1 12 . 1 1 6 6 SER HA H 6 4.048 4.048 4.343 -0.295 17583
1105 1 12 . 1 1 6 6 SER C C 6 177.970 177.970 176.562 1.408 17583
1106 1 12 . 1 1 6 6 SER CA C 6 61.815 61.815 61.003 0.812 17583
1107 1 12 . 1 1 6 6 SER CB C 6 62.648 62.648 62.874 -0.226 17583
1108 1 12 . 1 1 6 6 SER H H 6 7.829 7.829 8.493 -0.664 17583
1109 1 12 . 1 1 7 7 CYS N N 7 117.111 117.111 120.471 -3.360 17583
1110 1 12 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.360 -0.338 17583
1111 1 12 . 1 1 7 7 CYS C C 7 174.951 174.951 177.373 -2.422 17583
1112 1 12 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.703 -3.367 17583
1113 1 12 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.346 6.940 17583
1114 1 12 . 1 1 7 7 CYS H H 7 7.198 7.198 8.023 -0.825 17583
1115 1 12 . 1 1 8 8 LEU N N 8 119.586 119.586 122.854 -3.268 17583
1116 1 12 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.148 -0.115 17583
1117 1 12 . 1 1 8 8 LEU C C 8 174.628 174.628 178.361 -3.733 17583
1118 1 12 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.065 -0.412 17583
1119 1 12 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.043 0.067 17583
1120 1 12 . 1 1 8 8 LEU H H 8 7.801 7.801 7.875 -0.074 17583
1121 1 12 . 1 1 9 9 VAL N N 9 115.037 115.037 119.545 -4.508 17583
1122 1 12 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.862 -0.093 17583
1123 1 12 . 1 1 9 9 VAL C C 9 178.641 178.641 177.615 1.026 17583
1124 1 12 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.215 0.489 17583
1125 1 12 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.935 0.652 17583
1126 1 12 . 1 1 9 9 VAL H H 9 7.743 7.743 7.813 -0.070 17583
1127 1 12 . 1 1 10 10 CYS N N 10 117.287 117.287 118.136 -0.849 17583
1128 1 12 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.275 -0.236 17583
1129 1 12 . 1 1 10 10 CYS C C 10 176.537 176.537 176.884 -0.347 17583
1130 1 12 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.242 -4.325 17583
1131 1 12 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.137 6.856 17583
1132 1 12 . 1 1 10 10 CYS H H 10 7.243 7.243 7.642 -0.399 17583
1133 1 12 . 1 1 11 11 ALA N N 11 120.225 120.225 123.114 -2.889 17583
1134 1 12 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.106 -0.122 17583
1135 1 12 . 1 1 11 11 ALA C C 11 174.565 174.565 178.287 -3.722 17583
1136 1 12 . 1 1 11 11 ALA CA C 11 54.187 54.187 54.201 -0.014 17583
1137 1 12 . 1 1 11 11 ALA CB C 11 17.635 17.635 17.998 -0.363 17583
1138 1 12 . 1 1 11 11 ALA H H 11 7.878 7.878 7.850 0.028 17583
1139 1 12 . 1 1 12 12 ALA N N 12 116.658 116.658 120.382 -3.724 17583
1140 1 12 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.207 -0.092 17583
1141 1 12 . 1 1 12 12 ALA C C 12 177.085 177.085 177.692 -0.607 17583
1142 1 12 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.958 0.058 17583
1143 1 12 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.487 -1.619 17583
1144 1 12 . 1 1 12 12 ALA H H 12 7.761 7.761 7.602 0.159 17583
1145 1 12 . 1 1 13 13 CYS N N 13 116.103 116.103 118.262 -2.159 17583
1146 1 12 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.432 -0.219 17583
1147 1 12 . 1 1 13 13 CYS C C 13 177.660 177.660 175.063 2.597 17583
1148 1 12 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.850 -3.948 17583
1149 1 12 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.595 7.808 17583
1150 1 12 . 1 1 13 13 CYS H H 13 7.216 7.216 7.664 -0.448 17583
1151 1 12 . 1 1 14 14 SER HA H 14 4.082 4.082 4.501 -0.419 17583
1152 1 12 . 1 1 14 14 SER CA C 14 58.706 58.706 59.693 -0.987 17583
1153 1 12 . 1 1 14 14 SER CB C 14 63.625 63.625 63.697 -0.072 17583
1154 1 12 . 1 1 15 15 VAL N N 15 116.083 116.083 120.968 -4.885 17583
1155 1 12 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.084 -0.082 17583
1156 1 12 . 1 1 15 15 VAL C C 15 174.575 174.575 175.967 -1.392 17583
1157 1 12 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.993 -0.341 17583
1158 1 12 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.097 0.307 17583
1159 1 12 . 1 1 15 15 VAL H H 15 7.892 7.892 8.157 -0.265 17583
1160 1 12 . 1 1 16 16 GLU N N 16 118.503 118.503 117.305 1.198 17583
1161 1 12 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.534 -0.242 17583
1162 1 12 . 1 1 16 16 GLU C C 16 175.097 175.097 175.172 -0.075 17583
1163 1 12 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.498 0.042 17583
1164 1 12 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.857 -4.311 17583
1165 1 12 . 1 1 16 16 GLU H H 16 7.943 7.943 7.600 0.343 17583
1166 1 12 . 1 1 17 17 LEU N N 17 117.302 117.302 121.765 -4.463 17583
1167 1 12 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.395 -0.324 17583
1168 1 12 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.203 2.527 17583
1169 1 12 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.614 -0.458 17583
1170 1 12 . 1 1 17 17 LEU H H 17 7.757 7.757 8.439 -0.682 17583
1171 1 12 . 1 1 30 30 ALA N N 30 122.010 122.010 128.154 -6.144 17583
1172 1 12 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.456 -0.210 17583
1173 1 12 . 1 1 30 30 ALA C C 30 173.587 173.587 177.283 -3.696 17583
1174 1 12 . 1 1 30 30 ALA CA C 30 52.160 52.160 51.788 0.372 17583
1175 1 12 . 1 1 30 30 ALA CB C 30 18.791 18.791 17.613 1.178 17583
1176 1 12 . 1 1 30 30 ALA H H 30 7.469 7.469 7.806 -0.337 17583
1177 1 13 . 1 1 2 2 TRP N N 2 124.885 124.885 124.059 0.826 17583
1178 1 13 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.687 -0.272 17583
1179 1 13 . 1 1 2 2 TRP C C 2 173.011 173.011 176.257 -3.246 17583
1180 1 13 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.449 2.113 17583
1181 1 13 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.929 -0.889 17583
1182 1 13 . 1 1 2 2 TRP H H 2 8.943 8.943 7.995 0.948 17583
1183 1 13 . 1 1 3 3 THR N N 3 110.912 110.912 117.837 -6.925 17583
1184 1 13 . 1 1 3 3 THR HA H 3 3.862 3.862 4.576 -0.714 17583
1185 1 13 . 1 1 3 3 THR C C 3 176.563 176.563 174.719 1.844 17583
1186 1 13 . 1 1 3 3 THR CA C 3 63.637 63.637 61.543 2.094 17583
1187 1 13 . 1 1 3 3 THR CB C 3 68.670 68.670 70.295 -1.625 17583
1188 1 13 . 1 1 3 3 THR H H 3 7.416 7.416 7.973 -0.557 17583
1189 1 13 . 1 1 4 4 CYS N N 4 117.936 117.936 120.837 -2.901 17583
1190 1 13 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.310 -0.193 17583
1191 1 13 . 1 1 4 4 CYS C C 4 176.371 176.371 176.231 0.140 17583
1192 1 13 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.145 -2.375 17583
1193 1 13 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.919 6.565 17583
1194 1 13 . 1 1 4 4 CYS H H 4 7.753 7.753 9.121 -1.368 17583
1195 1 13 . 1 1 5 5 TRP N N 5 118.457 118.457 119.728 -1.271 17583
1196 1 13 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.485 -0.245 17583
1197 1 13 . 1 1 5 5 TRP C C 5 175.831 175.831 178.804 -2.973 17583
1198 1 13 . 1 1 5 5 TRP CA C 5 60.127 60.127 58.890 1.237 17583
1199 1 13 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.014 -0.425 17583
1200 1 13 . 1 1 5 5 TRP H H 5 7.800 7.800 8.547 -0.747 17583
1201 1 13 . 1 1 6 6 SER N N 6 114.289 114.289 116.056 -1.767 17583
1202 1 13 . 1 1 6 6 SER HA H 6 4.048 4.048 4.380 -0.332 17583
1203 1 13 . 1 1 6 6 SER C C 6 177.970 177.970 176.440 1.530 17583
1204 1 13 . 1 1 6 6 SER CA C 6 61.815 61.815 60.979 0.836 17583
1205 1 13 . 1 1 6 6 SER CB C 6 62.648 62.648 62.694 -0.046 17583
1206 1 13 . 1 1 6 6 SER H H 6 7.829 7.829 8.018 -0.189 17583
1207 1 13 . 1 1 7 7 CYS N N 7 117.111 117.111 120.818 -3.707 17583
1208 1 13 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.336 -0.314 17583
1209 1 13 . 1 1 7 7 CYS C C 7 174.951 174.951 176.348 -1.397 17583
1210 1 13 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.946 -3.610 17583
1211 1 13 . 1 1 7 7 CYS CB C 7 32.286 32.286 26.162 6.125 17583
1212 1 13 . 1 1 7 7 CYS H H 7 7.198 7.198 7.568 -0.370 17583
1213 1 13 . 1 1 8 8 LEU N N 8 119.586 119.586 122.167 -2.581 17583
1214 1 13 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.125 -0.092 17583
1215 1 13 . 1 1 8 8 LEU C C 8 174.628 174.628 178.524 -3.896 17583
1216 1 13 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.179 -0.526 17583
1217 1 13 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.062 0.049 17583
1218 1 13 . 1 1 8 8 LEU H H 8 7.801 7.801 7.866 -0.065 17583
1219 1 13 . 1 1 9 9 VAL N N 9 115.037 115.037 118.722 -3.685 17583
1220 1 13 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.875 -0.106 17583
1221 1 13 . 1 1 9 9 VAL C C 9 178.641 178.641 177.629 1.012 17583
1222 1 13 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.111 0.593 17583
1223 1 13 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.886 0.702 17583
1224 1 13 . 1 1 9 9 VAL H H 9 7.743 7.743 7.849 -0.106 17583
1225 1 13 . 1 1 10 10 CYS N N 10 117.287 117.287 118.489 -1.202 17583
1226 1 13 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.183 -0.144 17583
1227 1 13 . 1 1 10 10 CYS C C 10 176.537 176.537 176.132 0.405 17583
1228 1 13 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.935 -4.019 17583
1229 1 13 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.067 6.926 17583
1230 1 13 . 1 1 10 10 CYS H H 10 7.243 7.243 7.681 -0.438 17583
1231 1 13 . 1 1 11 11 ALA N N 11 120.225 120.225 121.683 -1.458 17583
1232 1 13 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.140 -0.156 17583
1233 1 13 . 1 1 11 11 ALA C C 11 174.565 174.565 177.834 -3.269 17583
1234 1 13 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.600 0.587 17583
1235 1 13 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.339 -0.704 17583
1236 1 13 . 1 1 11 11 ALA H H 11 7.878 7.878 7.564 0.314 17583
1237 1 13 . 1 1 12 12 ALA N N 12 116.658 116.658 119.413 -2.755 17583
1238 1 13 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.217 -0.102 17583
1239 1 13 . 1 1 12 12 ALA C C 12 177.085 177.085 177.508 -0.423 17583
1240 1 13 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.474 0.542 17583
1241 1 13 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.205 -1.337 17583
1242 1 13 . 1 1 12 12 ALA H H 12 7.761 7.761 7.379 0.382 17583
1243 1 13 . 1 1 13 13 CYS N N 13 116.103 116.103 119.532 -3.429 17583
1244 1 13 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.426 -0.213 17583
1245 1 13 . 1 1 13 13 CYS C C 13 177.660 177.660 175.298 2.362 17583
1246 1 13 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.653 -3.751 17583
1247 1 13 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.929 7.474 17583
1248 1 13 . 1 1 13 13 CYS H H 13 7.216 7.216 7.580 -0.364 17583
1249 1 13 . 1 1 14 14 SER HA H 14 4.082 4.082 4.571 -0.489 17583
1250 1 13 . 1 1 14 14 SER CA C 14 58.706 58.706 60.048 -1.342 17583
1251 1 13 . 1 1 14 14 SER CB C 14 63.625 63.625 63.656 -0.031 17583
1252 1 13 . 1 1 15 15 VAL N N 15 116.083 116.083 121.188 -5.105 17583
1253 1 13 . 1 1 15 15 VAL HA H 15 4.002 4.002 3.964 0.038 17583
1254 1 13 . 1 1 15 15 VAL C C 15 174.575 174.575 174.899 -0.324 17583
1255 1 13 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.211 0.441 17583
1256 1 13 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.399 0.005 17583
1257 1 13 . 1 1 15 15 VAL H H 15 7.892 7.892 8.297 -0.405 17583
1258 1 13 . 1 1 16 16 GLU N N 16 118.503 118.503 118.040 0.463 17583
1259 1 13 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.439 -0.147 17583
1260 1 13 . 1 1 16 16 GLU C C 16 175.097 175.097 175.676 -0.579 17583
1261 1 13 . 1 1 16 16 GLU CA C 16 55.540 55.540 54.965 0.576 17583
1262 1 13 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.022 -4.476 17583
1263 1 13 . 1 1 16 16 GLU H H 16 7.943 7.943 7.544 0.399 17583
1264 1 13 . 1 1 17 17 LEU N N 17 117.302 117.302 123.574 -6.272 17583
1265 1 13 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.233 -0.162 17583
1266 1 13 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.700 2.030 17583
1267 1 13 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.509 -0.353 17583
1268 1 13 . 1 1 17 17 LEU H H 17 7.757 7.757 8.762 -1.005 17583
1269 1 13 . 1 1 30 30 ALA N N 30 122.010 122.010 124.526 -2.516 17583
1270 1 13 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.301 -0.055 17583
1271 1 13 . 1 1 30 30 ALA C C 30 173.587 173.587 177.845 -4.258 17583
1272 1 13 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.846 -0.687 17583
1273 1 13 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.477 -0.686 17583
1274 1 13 . 1 1 30 30 ALA H H 30 7.469 7.469 8.024 -0.555 17583
1275 1 14 . 1 1 2 2 TRP N N 2 124.885 124.885 121.679 3.206 17583
1276 1 14 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.550 -0.135 17583
1277 1 14 . 1 1 2 2 TRP C C 2 173.011 173.011 176.408 -3.397 17583
1278 1 14 . 1 1 2 2 TRP CA C 2 59.562 59.562 58.461 1.101 17583
1279 1 14 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.443 -0.403 17583
1280 1 14 . 1 1 2 2 TRP H H 2 8.943 8.943 7.877 1.066 17583
1281 1 14 . 1 1 3 3 THR N N 3 110.912 110.912 116.226 -5.314 17583
1282 1 14 . 1 1 3 3 THR HA H 3 3.862 3.862 4.574 -0.712 17583
1283 1 14 . 1 1 3 3 THR C C 3 176.563 176.563 175.952 0.611 17583
1284 1 14 . 1 1 3 3 THR CA C 3 63.637 63.637 62.310 1.327 17583
1285 1 14 . 1 1 3 3 THR CB C 3 68.670 68.670 69.617 -0.947 17583
1286 1 14 . 1 1 3 3 THR H H 3 7.416 7.416 7.957 -0.541 17583
1287 1 14 . 1 1 4 4 CYS N N 4 117.936 117.936 124.928 -6.992 17583
1288 1 14 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.267 -0.150 17583
1289 1 14 . 1 1 4 4 CYS C C 4 176.371 176.371 176.852 -0.481 17583
1290 1 14 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.869 -3.099 17583
1291 1 14 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.295 7.189 17583
1292 1 14 . 1 1 4 4 CYS H H 4 7.753 7.753 9.323 -1.570 17583
1293 1 14 . 1 1 5 5 TRP N N 5 118.457 118.457 120.448 -1.991 17583
1294 1 14 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.461 -0.221 17583
1295 1 14 . 1 1 5 5 TRP C C 5 175.831 175.831 178.526 -2.695 17583
1296 1 14 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.074 1.053 17583
1297 1 14 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.023 -0.434 17583
1298 1 14 . 1 1 5 5 TRP H H 5 7.800 7.800 8.599 -0.799 17583
1299 1 14 . 1 1 6 6 SER N N 6 114.289 114.289 115.719 -1.430 17583
1300 1 14 . 1 1 6 6 SER HA H 6 4.048 4.048 4.324 -0.276 17583
1301 1 14 . 1 1 6 6 SER C C 6 177.970 177.970 176.379 1.591 17583
1302 1 14 . 1 1 6 6 SER CA C 6 61.815 61.815 61.086 0.729 17583
1303 1 14 . 1 1 6 6 SER CB C 6 62.648 62.648 62.780 -0.132 17583
1304 1 14 . 1 1 6 6 SER H H 6 7.829 7.829 8.071 -0.242 17583
1305 1 14 . 1 1 7 7 CYS N N 7 117.111 117.111 121.308 -4.197 17583
1306 1 14 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.383 -0.361 17583
1307 1 14 . 1 1 7 7 CYS C C 7 174.951 174.951 176.410 -1.459 17583
1308 1 14 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.066 -3.730 17583
1309 1 14 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.860 6.426 17583
1310 1 14 . 1 1 7 7 CYS H H 7 7.198 7.198 7.627 -0.429 17583
1311 1 14 . 1 1 8 8 LEU N N 8 119.586 119.586 122.164 -2.578 17583
1312 1 14 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.124 -0.091 17583
1313 1 14 . 1 1 8 8 LEU C C 8 174.628 174.628 178.522 -3.894 17583
1314 1 14 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.188 -0.535 17583
1315 1 14 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.065 0.045 17583
1316 1 14 . 1 1 8 8 LEU H H 8 7.801 7.801 7.795 0.006 17583
1317 1 14 . 1 1 9 9 VAL N N 9 115.037 115.037 118.710 -3.673 17583
1318 1 14 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.878 -0.109 17583
1319 1 14 . 1 1 9 9 VAL C C 9 178.641 178.641 177.636 1.005 17583
1320 1 14 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.126 0.578 17583
1321 1 14 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.888 0.699 17583
1322 1 14 . 1 1 9 9 VAL H H 9 7.743 7.743 7.857 -0.114 17583
1323 1 14 . 1 1 10 10 CYS N N 10 117.287 117.287 118.476 -1.189 17583
1324 1 14 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.185 -0.146 17583
1325 1 14 . 1 1 10 10 CYS C C 10 176.537 176.537 176.156 0.381 17583
1326 1 14 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.926 -4.009 17583
1327 1 14 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.052 6.941 17583
1328 1 14 . 1 1 10 10 CYS H H 10 7.243 7.243 7.675 -0.432 17583
1329 1 14 . 1 1 11 11 ALA N N 11 120.225 120.225 122.718 -2.493 17583
1330 1 14 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.128 -0.144 17583
1331 1 14 . 1 1 11 11 ALA C C 11 174.565 174.565 178.160 -3.595 17583
1332 1 14 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.902 0.285 17583
1333 1 14 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.133 -0.498 17583
1334 1 14 . 1 1 11 11 ALA H H 11 7.878 7.878 7.805 0.073 17583
1335 1 14 . 1 1 12 12 ALA N N 12 116.658 116.658 120.395 -3.737 17583
1336 1 14 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.199 -0.084 17583
1337 1 14 . 1 1 12 12 ALA C C 12 177.085 177.085 177.649 -0.564 17583
1338 1 14 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.697 0.319 17583
1339 1 14 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.295 -1.427 17583
1340 1 14 . 1 1 12 12 ALA H H 12 7.761 7.761 7.609 0.152 17583
1341 1 14 . 1 1 13 13 CYS N N 13 116.103 116.103 119.532 -3.429 17583
1342 1 14 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.406 -0.193 17583
1343 1 14 . 1 1 13 13 CYS C C 13 177.660 177.660 174.817 2.843 17583
1344 1 14 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.881 -3.979 17583
1345 1 14 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.613 7.790 17583
1346 1 14 . 1 1 13 13 CYS H H 13 7.216 7.216 7.708 -0.492 17583
1347 1 14 . 1 1 14 14 SER HA H 14 4.082 4.082 4.518 -0.436 17583
1348 1 14 . 1 1 14 14 SER CA C 14 58.706 58.706 60.114 -1.408 17583
1349 1 14 . 1 1 14 14 SER CB C 14 63.625 63.625 63.790 -0.165 17583
1350 1 14 . 1 1 15 15 VAL N N 15 116.083 116.083 120.568 -4.485 17583
1351 1 14 . 1 1 15 15 VAL HA H 15 4.002 4.002 3.964 0.038 17583
1352 1 14 . 1 1 15 15 VAL C C 15 174.575 174.575 175.507 -0.932 17583
1353 1 14 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.791 -0.140 17583
1354 1 14 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.447 -0.043 17583
1355 1 14 . 1 1 15 15 VAL H H 15 7.892 7.892 8.254 -0.362 17583
1356 1 14 . 1 1 16 16 GLU N N 16 118.503 118.503 118.711 -0.208 17583
1357 1 14 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.432 -0.140 17583
1358 1 14 . 1 1 16 16 GLU C C 16 175.097 175.097 175.689 -0.592 17583
1359 1 14 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.941 -0.400 17583
1360 1 14 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.543 -4.997 17583
1361 1 14 . 1 1 16 16 GLU H H 16 7.943 7.943 7.361 0.582 17583
1362 1 14 . 1 1 17 17 LEU N N 17 117.302 117.302 123.307 -6.005 17583
1363 1 14 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.286 -0.215 17583
1364 1 14 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.854 1.876 17583
1365 1 14 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.471 -0.315 17583
1366 1 14 . 1 1 17 17 LEU H H 17 7.757 7.757 8.514 -0.757 17583
1367 1 14 . 1 1 30 30 ALA N N 30 122.010 122.010 124.722 -2.712 17583
1368 1 14 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.313 -0.067 17583
1369 1 14 . 1 1 30 30 ALA C C 30 173.587 173.587 177.711 -4.124 17583
1370 1 14 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.864 -0.704 17583
1371 1 14 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.501 -0.710 17583
1372 1 14 . 1 1 30 30 ALA H H 30 7.469 7.469 8.071 -0.602 17583
1373 1 15 . 1 1 2 2 TRP N N 2 124.885 124.885 122.675 2.210 17583
1374 1 15 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.718 -0.303 17583
1375 1 15 . 1 1 2 2 TRP C C 2 173.011 173.011 176.337 -3.326 17583
1376 1 15 . 1 1 2 2 TRP CA C 2 59.562 59.562 58.032 1.530 17583
1377 1 15 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.607 -0.567 17583
1378 1 15 . 1 1 2 2 TRP H H 2 8.943 8.943 8.155 0.788 17583
1379 1 15 . 1 1 3 3 THR N N 3 110.912 110.912 116.241 -5.329 17583
1380 1 15 . 1 1 3 3 THR HA H 3 3.862 3.862 4.591 -0.729 17583
1381 1 15 . 1 1 3 3 THR C C 3 176.563 176.563 174.349 2.214 17583
1382 1 15 . 1 1 3 3 THR CA C 3 63.637 63.637 61.045 2.592 17583
1383 1 15 . 1 1 3 3 THR CB C 3 68.670 68.670 70.913 -2.243 17583
1384 1 15 . 1 1 3 3 THR H H 3 7.416 7.416 7.973 -0.557 17583
1385 1 15 . 1 1 4 4 CYS N N 4 117.936 117.936 119.004 -1.068 17583
1386 1 15 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.292 -0.175 17583
1387 1 15 . 1 1 4 4 CYS C C 4 176.371 176.371 176.607 -0.236 17583
1388 1 15 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.557 -2.788 17583
1389 1 15 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.473 7.011 17583
1390 1 15 . 1 1 4 4 CYS H H 4 7.753 7.753 8.919 -1.166 17583
1391 1 15 . 1 1 5 5 TRP N N 5 118.457 118.457 120.152 -1.695 17583
1392 1 15 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.452 -0.212 17583
1393 1 15 . 1 1 5 5 TRP C C 5 175.831 175.831 178.783 -2.952 17583
1394 1 15 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.598 0.529 17583
1395 1 15 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.903 -0.314 17583
1396 1 15 . 1 1 5 5 TRP H H 5 7.800 7.800 8.519 -0.719 17583
1397 1 15 . 1 1 6 6 SER N N 6 114.289 114.289 115.277 -0.988 17583
1398 1 15 . 1 1 6 6 SER HA H 6 4.048 4.048 4.192 -0.144 17583
1399 1 15 . 1 1 6 6 SER C C 6 177.970 177.970 175.917 2.053 17583
1400 1 15 . 1 1 6 6 SER CA C 6 61.815 61.815 61.391 0.424 17583
1401 1 15 . 1 1 6 6 SER CB C 6 62.648 62.648 62.860 -0.212 17583
1402 1 15 . 1 1 6 6 SER H H 6 7.829 7.829 8.030 -0.201 17583
1403 1 15 . 1 1 7 7 CYS N N 7 117.111 117.111 119.908 -2.797 17583
1404 1 15 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.380 -0.358 17583
1405 1 15 . 1 1 7 7 CYS C C 7 174.951 174.951 176.322 -1.371 17583
1406 1 15 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.783 -3.447 17583
1407 1 15 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.787 6.500 17583
1408 1 15 . 1 1 7 7 CYS H H 7 7.198 7.198 7.622 -0.424 17583
1409 1 15 . 1 1 8 8 LEU N N 8 119.586 119.586 122.047 -2.461 17583
1410 1 15 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.096 -0.063 17583
1411 1 15 . 1 1 8 8 LEU C C 8 174.628 174.628 178.417 -3.789 17583
1412 1 15 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.119 -0.466 17583
1413 1 15 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.004 0.106 17583
1414 1 15 . 1 1 8 8 LEU H H 8 7.801 7.801 7.808 -0.007 17583
1415 1 15 . 1 1 9 9 VAL N N 9 115.037 115.037 118.383 -3.346 17583
1416 1 15 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.783 -0.014 17583
1417 1 15 . 1 1 9 9 VAL C C 9 178.641 178.641 177.401 1.240 17583
1418 1 15 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.470 -0.766 17583
1419 1 15 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.772 -0.185 17583
1420 1 15 . 1 1 9 9 VAL H H 9 7.743 7.743 7.774 -0.031 17583
1421 1 15 . 1 1 10 10 CYS N N 10 117.287 117.287 118.283 -0.996 17583
1422 1 15 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.211 -0.172 17583
1423 1 15 . 1 1 10 10 CYS C C 10 176.537 176.537 176.239 0.298 17583
1424 1 15 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.950 -4.033 17583
1425 1 15 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.940 7.053 17583
1426 1 15 . 1 1 10 10 CYS H H 10 7.243 7.243 7.696 -0.453 17583
1427 1 15 . 1 1 11 11 ALA N N 11 120.225 120.225 121.499 -1.274 17583
1428 1 15 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.149 -0.165 17583
1429 1 15 . 1 1 11 11 ALA C C 11 174.565 174.565 177.835 -3.270 17583
1430 1 15 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.459 0.728 17583
1431 1 15 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.460 -0.825 17583
1432 1 15 . 1 1 11 11 ALA H H 11 7.878 7.878 7.530 0.348 17583
1433 1 15 . 1 1 12 12 ALA N N 12 116.658 116.658 119.626 -2.968 17583
1434 1 15 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.274 -0.159 17583
1435 1 15 . 1 1 12 12 ALA C C 12 177.085 177.085 177.868 -0.783 17583
1436 1 15 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.455 0.561 17583
1437 1 15 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.030 -1.162 17583
1438 1 15 . 1 1 12 12 ALA H H 12 7.761 7.761 7.358 0.403 17583
1439 1 15 . 1 1 13 13 CYS N N 13 116.103 116.103 118.566 -2.463 17583
1440 1 15 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.408 -0.195 17583
1441 1 15 . 1 1 13 13 CYS C C 13 177.660 177.660 175.504 2.156 17583
1442 1 15 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.454 -4.552 17583
1443 1 15 . 1 1 13 13 CYS CB C 13 32.403 32.403 26.810 5.593 17583
1444 1 15 . 1 1 13 13 CYS H H 13 7.216 7.216 7.607 -0.391 17583
1445 1 15 . 1 1 14 14 SER HA H 14 4.082 4.082 4.478 -0.396 17583
1446 1 15 . 1 1 14 14 SER CA C 14 58.706 58.706 58.749 -0.043 17583
1447 1 15 . 1 1 14 14 SER CB C 14 63.625 63.625 63.877 -0.252 17583
1448 1 15 . 1 1 15 15 VAL N N 15 116.083 116.083 120.960 -4.877 17583
1449 1 15 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.128 -0.126 17583
1450 1 15 . 1 1 15 15 VAL C C 15 174.575 174.575 175.977 -1.402 17583
1451 1 15 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.139 0.513 17583
1452 1 15 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.043 0.361 17583
1453 1 15 . 1 1 15 15 VAL H H 15 7.892 7.892 8.049 -0.157 17583
1454 1 15 . 1 1 16 16 GLU N N 16 118.503 118.503 121.926 -3.423 17583
1455 1 15 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.409 -0.117 17583
1456 1 15 . 1 1 16 16 GLU C C 16 175.097 175.097 176.761 -1.664 17583
1457 1 15 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.449 0.091 17583
1458 1 15 . 1 1 16 16 GLU CB C 16 27.546 27.546 29.599 -2.053 17583
1459 1 15 . 1 1 16 16 GLU H H 16 7.943 7.943 7.989 -0.046 17583
1460 1 15 . 1 1 17 17 LEU N N 17 117.302 117.302 125.235 -7.933 17583
1461 1 15 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.065 0.006 17583
1462 1 15 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.713 1.017 17583
1463 1 15 . 1 1 17 17 LEU CB C 17 42.156 42.156 41.278 0.878 17583
1464 1 15 . 1 1 17 17 LEU H H 17 7.757 7.757 8.702 -0.945 17583
1465 1 15 . 1 1 30 30 ALA N N 30 122.010 122.010 125.227 -3.217 17583
1466 1 15 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.351 -0.105 17583
1467 1 15 . 1 1 30 30 ALA C C 30 173.587 173.587 177.982 -4.395 17583
1468 1 15 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.776 -0.616 17583
1469 1 15 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.563 -0.772 17583
1470 1 15 . 1 1 30 30 ALA H H 30 7.469 7.469 8.154 -0.685 17583
1471 1 16 . 1 1 2 2 TRP N N 2 124.885 124.885 122.104 2.781 17583
1472 1 16 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.644 -0.229 17583
1473 1 16 . 1 1 2 2 TRP C C 2 173.011 173.011 176.257 -3.246 17583
1474 1 16 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.485 2.077 17583
1475 1 16 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.428 -0.388 17583
1476 1 16 . 1 1 2 2 TRP H H 2 8.943 8.943 7.871 1.072 17583
1477 1 16 . 1 1 3 3 THR N N 3 110.912 110.912 116.941 -6.029 17583
1478 1 16 . 1 1 3 3 THR HA H 3 3.862 3.862 4.641 -0.779 17583
1479 1 16 . 1 1 3 3 THR C C 3 176.563 176.563 174.170 2.393 17583
1480 1 16 . 1 1 3 3 THR CA C 3 63.637 63.637 61.314 2.323 17583
1481 1 16 . 1 1 3 3 THR CB C 3 68.670 68.670 70.809 -2.139 17583
1482 1 16 . 1 1 3 3 THR H H 3 7.416 7.416 7.927 -0.511 17583
1483 1 16 . 1 1 4 4 CYS N N 4 117.936 117.936 119.199 -1.263 17583
1484 1 16 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.263 -0.146 17583
1485 1 16 . 1 1 4 4 CYS C C 4 176.371 176.371 176.519 -0.148 17583
1486 1 16 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.585 -2.815 17583
1487 1 16 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.499 6.985 17583
1488 1 16 . 1 1 4 4 CYS H H 4 7.753 7.753 8.926 -1.173 17583
1489 1 16 . 1 1 5 5 TRP N N 5 118.457 118.457 121.486 -3.029 17583
1490 1 16 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.490 -0.250 17583
1491 1 16 . 1 1 5 5 TRP C C 5 175.831 175.831 179.137 -3.306 17583
1492 1 16 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.804 0.322 17583
1493 1 16 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.919 -0.330 17583
1494 1 16 . 1 1 5 5 TRP H H 5 7.800 7.800 8.143 -0.343 17583
1495 1 16 . 1 1 6 6 SER N N 6 114.289 114.289 116.172 -1.883 17583
1496 1 16 . 1 1 6 6 SER HA H 6 4.048 4.048 4.346 -0.298 17583
1497 1 16 . 1 1 6 6 SER C C 6 177.970 177.970 176.743 1.227 17583
1498 1 16 . 1 1 6 6 SER CA C 6 61.815 61.815 61.519 0.296 17583
1499 1 16 . 1 1 6 6 SER CB C 6 62.648 62.648 62.816 -0.168 17583
1500 1 16 . 1 1 6 6 SER H H 6 7.829 7.829 8.656 -0.827 17583
1501 1 16 . 1 1 7 7 CYS N N 7 117.111 117.111 119.592 -2.481 17583
1502 1 16 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.356 -0.334 17583
1503 1 16 . 1 1 7 7 CYS C C 7 174.951 174.951 177.470 -2.519 17583
1504 1 16 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.815 -3.479 17583
1505 1 16 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.542 6.744 17583
1506 1 16 . 1 1 7 7 CYS H H 7 7.198 7.198 7.905 -0.707 17583
1507 1 16 . 1 1 8 8 LEU N N 8 119.586 119.586 121.456 -1.870 17583
1508 1 16 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.225 -0.192 17583
1509 1 16 . 1 1 8 8 LEU C C 8 174.628 174.628 178.428 -3.800 17583
1510 1 16 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.112 -0.459 17583
1511 1 16 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.112 0.998 17583
1512 1 16 . 1 1 8 8 LEU H H 8 7.801 7.801 8.052 -0.251 17583
1513 1 16 . 1 1 9 9 VAL N N 9 115.037 115.037 119.835 -4.798 17583
1514 1 16 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.863 -0.094 17583
1515 1 16 . 1 1 9 9 VAL C C 9 178.641 178.641 177.572 1.069 17583
1516 1 16 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.259 0.445 17583
1517 1 16 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.937 0.650 17583
1518 1 16 . 1 1 9 9 VAL H H 9 7.743 7.743 7.823 -0.080 17583
1519 1 16 . 1 1 10 10 CYS N N 10 117.287 117.287 117.997 -0.710 17583
1520 1 16 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.279 -0.240 17583
1521 1 16 . 1 1 10 10 CYS C C 10 176.537 176.537 176.867 -0.330 17583
1522 1 16 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.185 -4.268 17583
1523 1 16 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.130 6.863 17583
1524 1 16 . 1 1 10 10 CYS H H 10 7.243 7.243 7.670 -0.427 17583
1525 1 16 . 1 1 11 11 ALA N N 11 120.225 120.225 122.053 -1.828 17583
1526 1 16 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.105 -0.121 17583
1527 1 16 . 1 1 11 11 ALA C C 11 174.565 174.565 177.797 -3.232 17583
1528 1 16 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.776 0.411 17583
1529 1 16 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.253 -0.618 17583
1530 1 16 . 1 1 11 11 ALA H H 11 7.878 7.878 7.665 0.213 17583
1531 1 16 . 1 1 12 12 ALA N N 12 116.658 116.658 119.048 -2.390 17583
1532 1 16 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.267 -0.152 17583
1533 1 16 . 1 1 12 12 ALA C C 12 177.085 177.085 178.747 -1.662 17583
1534 1 16 . 1 1 12 12 ALA CA C 12 53.016 53.016 53.419 -0.403 17583
1535 1 16 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.262 -1.394 17583
1536 1 16 . 1 1 12 12 ALA H H 12 7.761 7.761 7.382 0.379 17583
1537 1 16 . 1 1 13 13 CYS N N 13 116.103 116.103 119.754 -3.651 17583
1538 1 16 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.532 -0.319 17583
1539 1 16 . 1 1 13 13 CYS C C 13 177.660 177.660 175.344 2.316 17583
1540 1 16 . 1 1 13 13 CYS CA C 13 55.902 55.902 58.771 -2.869 17583
1541 1 16 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.600 7.803 17583
1542 1 16 . 1 1 13 13 CYS H H 13 7.216 7.216 7.726 -0.510 17583
1543 1 16 . 1 1 14 14 SER HA H 14 4.082 4.082 4.286 -0.204 17583
1544 1 16 . 1 1 14 14 SER CA C 14 58.706 58.706 61.504 -2.798 17583
1545 1 16 . 1 1 14 14 SER CB C 14 63.625 63.625 63.415 0.210 17583
1546 1 16 . 1 1 15 15 VAL N N 15 116.083 116.083 119.258 -3.175 17583
1547 1 16 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.104 -0.102 17583
1548 1 16 . 1 1 15 15 VAL C C 15 174.575 174.575 176.344 -1.769 17583
1549 1 16 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.502 0.150 17583
1550 1 16 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.117 0.287 17583
1551 1 16 . 1 1 15 15 VAL H H 15 7.892 7.892 8.294 -0.402 17583
1552 1 16 . 1 1 16 16 GLU N N 16 118.503 118.503 119.172 -0.669 17583
1553 1 16 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.447 -0.155 17583
1554 1 16 . 1 1 16 16 GLU C C 16 175.097 175.097 175.505 -0.408 17583
1555 1 16 . 1 1 16 16 GLU CA C 16 55.540 55.540 56.213 -0.673 17583
1556 1 16 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.100 -4.554 17583
1557 1 16 . 1 1 16 16 GLU H H 16 7.943 7.943 7.662 0.281 17583
1558 1 16 . 1 1 17 17 LEU N N 17 117.302 117.302 119.253 -1.951 17583
1559 1 16 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.435 -0.364 17583
1560 1 16 . 1 1 17 17 LEU CA C 17 57.730 57.730 54.808 2.922 17583
1561 1 16 . 1 1 17 17 LEU CB C 17 42.156 42.156 43.069 -0.913 17583
1562 1 16 . 1 1 17 17 LEU H H 17 7.757 7.757 8.244 -0.487 17583
1563 1 16 . 1 1 30 30 ALA N N 30 122.010 122.010 128.199 -6.189 17583
1564 1 16 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.432 -0.186 17583
1565 1 16 . 1 1 30 30 ALA C C 30 173.587 173.587 177.342 -3.755 17583
1566 1 16 . 1 1 30 30 ALA CA C 30 52.160 52.160 51.826 0.334 17583
1567 1 16 . 1 1 30 30 ALA CB C 30 18.791 18.791 17.633 1.158 17583
1568 1 16 . 1 1 30 30 ALA H H 30 7.469 7.469 7.780 -0.311 17583
1569 1 17 . 1 1 2 2 TRP N N 2 124.885 124.885 120.521 4.364 17583
1570 1 17 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.622 -0.207 17583
1571 1 17 . 1 1 2 2 TRP C C 2 173.011 173.011 176.496 -3.485 17583
1572 1 17 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.469 2.092 17583
1573 1 17 . 1 1 2 2 TRP CB C 2 29.040 29.040 28.983 0.057 17583
1574 1 17 . 1 1 2 2 TRP H H 2 8.943 8.943 7.608 1.335 17583
1575 1 17 . 1 1 3 3 THR N N 3 110.912 110.912 115.263 -4.351 17583
1576 1 17 . 1 1 3 3 THR HA H 3 3.862 3.862 4.546 -0.684 17583
1577 1 17 . 1 1 3 3 THR C C 3 176.563 176.563 175.842 0.721 17583
1578 1 17 . 1 1 3 3 THR CA C 3 63.637 63.637 62.403 1.234 17583
1579 1 17 . 1 1 3 3 THR CB C 3 68.670 68.670 69.890 -1.220 17583
1580 1 17 . 1 1 3 3 THR H H 3 7.416 7.416 7.803 -0.387 17583
1581 1 17 . 1 1 4 4 CYS N N 4 117.936 117.936 123.773 -5.837 17583
1582 1 17 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.321 -0.204 17583
1583 1 17 . 1 1 4 4 CYS C C 4 176.371 176.371 176.874 -0.503 17583
1584 1 17 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.496 -2.727 17583
1585 1 17 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.431 7.053 17583
1586 1 17 . 1 1 4 4 CYS H H 4 7.753 7.753 9.152 -1.399 17583
1587 1 17 . 1 1 5 5 TRP N N 5 118.457 118.457 120.967 -2.510 17583
1588 1 17 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.556 -0.317 17583
1589 1 17 . 1 1 5 5 TRP C C 5 175.831 175.831 178.735 -2.904 17583
1590 1 17 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.429 0.698 17583
1591 1 17 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.943 -0.354 17583
1592 1 17 . 1 1 5 5 TRP H H 5 7.800 7.800 8.425 -0.625 17583
1593 1 17 . 1 1 6 6 SER N N 6 114.289 114.289 116.599 -2.310 17583
1594 1 17 . 1 1 6 6 SER HA H 6 4.048 4.048 4.382 -0.334 17583
1595 1 17 . 1 1 6 6 SER C C 6 177.970 177.970 176.564 1.406 17583
1596 1 17 . 1 1 6 6 SER CA C 6 61.815 61.815 60.989 0.826 17583
1597 1 17 . 1 1 6 6 SER CB C 6 62.648 62.648 62.473 0.175 17583
1598 1 17 . 1 1 6 6 SER H H 6 7.829 7.829 8.521 -0.692 17583
1599 1 17 . 1 1 7 7 CYS N N 7 117.111 117.111 120.760 -3.649 17583
1600 1 17 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.311 -0.289 17583
1601 1 17 . 1 1 7 7 CYS C C 7 174.951 174.951 176.397 -1.446 17583
1602 1 17 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.201 -3.865 17583
1603 1 17 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.972 6.314 17583
1604 1 17 . 1 1 7 7 CYS H H 7 7.198 7.198 7.769 -0.571 17583
1605 1 17 . 1 1 8 8 LEU N N 8 119.586 119.586 122.047 -2.461 17583
1606 1 17 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.067 -0.034 17583
1607 1 17 . 1 1 8 8 LEU C C 8 174.628 174.628 178.420 -3.792 17583
1608 1 17 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.280 -0.627 17583
1609 1 17 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.979 0.131 17583
1610 1 17 . 1 1 8 8 LEU H H 8 7.801 7.801 7.813 -0.012 17583
1611 1 17 . 1 1 9 9 VAL N N 9 115.037 115.037 118.680 -3.643 17583
1612 1 17 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.784 -0.015 17583
1613 1 17 . 1 1 9 9 VAL C C 9 178.641 178.641 177.680 0.961 17583
1614 1 17 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.344 -0.640 17583
1615 1 17 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.697 -0.110 17583
1616 1 17 . 1 1 9 9 VAL H H 9 7.743 7.743 7.807 -0.064 17583
1617 1 17 . 1 1 10 10 CYS N N 10 117.287 117.287 118.347 -1.060 17583
1618 1 17 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.214 -0.175 17583
1619 1 17 . 1 1 10 10 CYS C C 10 176.537 176.537 176.350 0.187 17583
1620 1 17 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.857 -3.940 17583
1621 1 17 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.856 7.137 17583
1622 1 17 . 1 1 10 10 CYS H H 10 7.243 7.243 7.487 -0.244 17583
1623 1 17 . 1 1 11 11 ALA N N 11 120.225 120.225 121.415 -1.190 17583
1624 1 17 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.126 -0.142 17583
1625 1 17 . 1 1 11 11 ALA C C 11 174.565 174.565 177.741 -3.176 17583
1626 1 17 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.528 0.659 17583
1627 1 17 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.463 -0.828 17583
1628 1 17 . 1 1 11 11 ALA H H 11 7.878 7.878 7.574 0.304 17583
1629 1 17 . 1 1 12 12 ALA N N 12 116.658 116.658 119.142 -2.484 17583
1630 1 17 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.192 -0.077 17583
1631 1 17 . 1 1 12 12 ALA C C 12 177.085 177.085 177.276 -0.191 17583
1632 1 17 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.389 0.627 17583
1633 1 17 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.104 -1.236 17583
1634 1 17 . 1 1 12 12 ALA H H 12 7.761 7.761 7.314 0.447 17583
1635 1 17 . 1 1 13 13 CYS N N 13 116.103 116.103 118.419 -2.316 17583
1636 1 17 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.368 -0.155 17583
1637 1 17 . 1 1 13 13 CYS C C 13 177.660 177.660 175.161 2.499 17583
1638 1 17 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.394 -4.492 17583
1639 1 17 . 1 1 13 13 CYS CB C 13 32.403 32.403 25.016 7.387 17583
1640 1 17 . 1 1 13 13 CYS H H 13 7.216 7.216 7.664 -0.448 17583
1641 1 17 . 1 1 14 14 SER HA H 14 4.082 4.082 4.458 -0.376 17583
1642 1 17 . 1 1 14 14 SER CA C 14 58.706 58.706 60.034 -1.328 17583
1643 1 17 . 1 1 14 14 SER CB C 14 63.625 63.625 63.969 -0.345 17583
1644 1 17 . 1 1 15 15 VAL N N 15 116.083 116.083 119.836 -3.753 17583
1645 1 17 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.090 -0.088 17583
1646 1 17 . 1 1 15 15 VAL C C 15 174.575 174.575 175.719 -1.144 17583
1647 1 17 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.812 -0.160 17583
1648 1 17 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.116 0.288 17583
1649 1 17 . 1 1 15 15 VAL H H 15 7.892 7.892 8.108 -0.216 17583
1650 1 17 . 1 1 16 16 GLU N N 16 118.503 118.503 121.284 -2.781 17583
1651 1 17 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.379 -0.087 17583
1652 1 17 . 1 1 16 16 GLU C C 16 175.097 175.097 176.323 -1.226 17583
1653 1 17 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.302 0.238 17583
1654 1 17 . 1 1 16 16 GLU CB C 16 27.546 27.546 29.414 -1.868 17583
1655 1 17 . 1 1 16 16 GLU H H 16 7.943 7.943 7.702 0.241 17583
1656 1 17 . 1 1 17 17 LEU N N 17 117.302 117.302 126.992 -9.690 17583
1657 1 17 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.077 -0.006 17583
1658 1 17 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.171 1.559 17583
1659 1 17 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.381 -0.225 17583
1660 1 17 . 1 1 17 17 LEU H H 17 7.757 7.757 8.360 -0.603 17583
1661 1 17 . 1 1 30 30 ALA N N 30 122.010 122.010 128.321 -6.311 17583
1662 1 17 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.476 -0.230 17583
1663 1 17 . 1 1 30 30 ALA C C 30 173.587 173.587 177.102 -3.515 17583
1664 1 17 . 1 1 30 30 ALA CA C 30 52.160 52.160 51.842 0.318 17583
1665 1 17 . 1 1 30 30 ALA CB C 30 18.791 18.791 17.672 1.119 17583
1666 1 17 . 1 1 30 30 ALA H H 30 7.469 7.469 7.913 -0.444 17583
1667 1 18 . 1 1 2 2 TRP N N 2 124.885 124.885 122.951 1.934 17583
1668 1 18 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.518 -0.103 17583
1669 1 18 . 1 1 2 2 TRP C C 2 173.011 173.011 176.050 -3.039 17583
1670 1 18 . 1 1 2 2 TRP CA C 2 59.562 59.562 58.832 0.730 17583
1671 1 18 . 1 1 2 2 TRP CB C 2 29.040 29.040 30.022 -0.982 17583
1672 1 18 . 1 1 2 2 TRP H H 2 8.943 8.943 8.071 0.872 17583
1673 1 18 . 1 1 3 3 THR N N 3 110.912 110.912 112.932 -2.020 17583
1674 1 18 . 1 1 3 3 THR HA H 3 3.862 3.862 4.370 -0.508 17583
1675 1 18 . 1 1 3 3 THR C C 3 176.563 176.563 175.497 1.066 17583
1676 1 18 . 1 1 3 3 THR CA C 3 63.637 63.637 62.159 1.478 17583
1677 1 18 . 1 1 3 3 THR CB C 3 68.670 68.670 70.152 -1.482 17583
1678 1 18 . 1 1 3 3 THR H H 3 7.416 7.416 7.879 -0.463 17583
1679 1 18 . 1 1 4 4 CYS N N 4 117.936 117.936 123.141 -5.205 17583
1680 1 18 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.106 0.011 17583
1681 1 18 . 1 1 4 4 CYS C C 4 176.371 176.371 176.732 -0.361 17583
1682 1 18 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.703 -2.933 17583
1683 1 18 . 1 1 4 4 CYS CB C 4 33.484 33.484 25.967 7.517 17583
1684 1 18 . 1 1 4 4 CYS H H 4 7.753 7.753 8.939 -1.186 17583
1685 1 18 . 1 1 5 5 TRP N N 5 118.457 118.457 120.285 -1.828 17583
1686 1 18 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.498 -0.258 17583
1687 1 18 . 1 1 5 5 TRP C C 5 175.831 175.831 178.789 -2.958 17583
1688 1 18 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.223 0.904 17583
1689 1 18 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.838 -0.249 17583
1690 1 18 . 1 1 5 5 TRP H H 5 7.800 7.800 8.318 -0.518 17583
1691 1 18 . 1 1 6 6 SER N N 6 114.289 114.289 116.095 -1.806 17583
1692 1 18 . 1 1 6 6 SER HA H 6 4.048 4.048 4.351 -0.303 17583
1693 1 18 . 1 1 6 6 SER C C 6 177.970 177.970 176.334 1.636 17583
1694 1 18 . 1 1 6 6 SER CA C 6 61.815 61.815 61.137 0.678 17583
1695 1 18 . 1 1 6 6 SER CB C 6 62.648 62.648 62.610 0.038 17583
1696 1 18 . 1 1 6 6 SER H H 6 7.829 7.829 8.139 -0.310 17583
1697 1 18 . 1 1 7 7 CYS N N 7 117.111 117.111 119.607 -2.496 17583
1698 1 18 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.349 -0.327 17583
1699 1 18 . 1 1 7 7 CYS C C 7 174.951 174.951 177.422 -2.471 17583
1700 1 18 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.535 -3.199 17583
1701 1 18 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.360 6.926 17583
1702 1 18 . 1 1 7 7 CYS H H 7 7.198 7.198 7.707 -0.509 17583
1703 1 18 . 1 1 8 8 LEU N N 8 119.586 119.586 121.607 -2.021 17583
1704 1 18 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.163 -0.130 17583
1705 1 18 . 1 1 8 8 LEU C C 8 174.628 174.628 178.252 -3.624 17583
1706 1 18 . 1 1 8 8 LEU CA C 8 57.653 57.653 57.946 -0.292 17583
1707 1 18 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.056 1.054 17583
1708 1 18 . 1 1 8 8 LEU H H 8 7.801 7.801 8.053 -0.252 17583
1709 1 18 . 1 1 9 9 VAL N N 9 115.037 115.037 119.426 -4.389 17583
1710 1 18 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.781 -0.012 17583
1711 1 18 . 1 1 9 9 VAL C C 9 178.641 178.641 177.306 1.335 17583
1712 1 18 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.950 -1.246 17583
1713 1 18 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.872 -0.285 17583
1714 1 18 . 1 1 9 9 VAL H H 9 7.743 7.743 7.717 0.026 17583
1715 1 18 . 1 1 10 10 CYS N N 10 117.287 117.287 117.758 -0.471 17583
1716 1 18 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.260 -0.221 17583
1717 1 18 . 1 1 10 10 CYS C C 10 176.537 176.537 176.749 -0.212 17583
1718 1 18 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.128 -4.211 17583
1719 1 18 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.986 7.007 17583
1720 1 18 . 1 1 10 10 CYS H H 10 7.243 7.243 7.734 -0.491 17583
1721 1 18 . 1 1 11 11 ALA N N 11 120.225 120.225 121.963 -1.738 17583
1722 1 18 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.119 -0.135 17583
1723 1 18 . 1 1 11 11 ALA C C 11 174.565 174.565 177.790 -3.225 17583
1724 1 18 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.821 0.366 17583
1725 1 18 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.299 -0.664 17583
1726 1 18 . 1 1 11 11 ALA H H 11 7.878 7.878 7.554 0.324 17583
1727 1 18 . 1 1 12 12 ALA N N 12 116.658 116.658 119.173 -2.515 17583
1728 1 18 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.284 -0.169 17583
1729 1 18 . 1 1 12 12 ALA C C 12 177.085 177.085 177.901 -0.816 17583
1730 1 18 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.664 0.352 17583
1731 1 18 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.307 -1.439 17583
1732 1 18 . 1 1 12 12 ALA H H 12 7.761 7.761 7.344 0.417 17583
1733 1 18 . 1 1 13 13 CYS N N 13 116.103 116.103 119.349 -3.246 17583
1734 1 18 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.418 -0.205 17583
1735 1 18 . 1 1 13 13 CYS C C 13 177.660 177.660 175.169 2.491 17583
1736 1 18 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.120 -4.218 17583
1737 1 18 . 1 1 13 13 CYS CB C 13 32.403 32.403 25.325 7.078 17583
1738 1 18 . 1 1 13 13 CYS H H 13 7.216 7.216 7.524 -0.308 17583
1739 1 18 . 1 1 14 14 SER HA H 14 4.082 4.082 4.501 -0.419 17583
1740 1 18 . 1 1 14 14 SER CA C 14 58.706 58.706 59.217 -0.510 17583
1741 1 18 . 1 1 14 14 SER CB C 14 63.625 63.625 63.883 -0.258 17583
1742 1 18 . 1 1 15 15 VAL N N 15 116.083 116.083 120.854 -4.771 17583
1743 1 18 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.217 -0.215 17583
1744 1 18 . 1 1 15 15 VAL C C 15 174.575 174.575 176.162 -1.587 17583
1745 1 18 . 1 1 15 15 VAL CA C 15 63.652 63.652 64.022 -0.370 17583
1746 1 18 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.190 0.214 17583
1747 1 18 . 1 1 15 15 VAL H H 15 7.892 7.892 8.081 -0.189 17583
1748 1 18 . 1 1 16 16 GLU N N 16 118.503 118.503 118.687 -0.184 17583
1749 1 18 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.525 -0.233 17583
1750 1 18 . 1 1 16 16 GLU C C 16 175.097 175.097 175.135 -0.038 17583
1751 1 18 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.715 -0.175 17583
1752 1 18 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.291 -4.745 17583
1753 1 18 . 1 1 16 16 GLU H H 16 7.943 7.943 7.617 0.326 17583
1754 1 18 . 1 1 17 17 LEU N N 17 117.302 117.302 122.390 -5.088 17583
1755 1 18 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.403 -0.332 17583
1756 1 18 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.202 2.528 17583
1757 1 18 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.661 -0.505 17583
1758 1 18 . 1 1 17 17 LEU H H 17 7.757 7.757 8.373 -0.616 17583
1759 1 18 . 1 1 30 30 ALA N N 30 122.010 122.010 124.835 -2.825 17583
1760 1 18 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.295 -0.049 17583
1761 1 18 . 1 1 30 30 ALA C C 30 173.587 173.587 178.076 -4.489 17583
1762 1 18 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.661 -0.501 17583
1763 1 18 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.379 -0.588 17583
1764 1 18 . 1 1 30 30 ALA H H 30 7.469 7.469 7.847 -0.378 17583
1765 1 19 . 1 1 2 2 TRP N N 2 124.885 124.885 124.616 0.269 17583
1766 1 19 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.537 -0.122 17583
1767 1 19 . 1 1 2 2 TRP C C 2 173.011 173.011 176.563 -3.552 17583
1768 1 19 . 1 1 2 2 TRP CA C 2 59.562 59.562 56.436 3.126 17583
1769 1 19 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.505 -0.465 17583
1770 1 19 . 1 1 2 2 TRP H H 2 8.943 8.943 7.716 1.227 17583
1771 1 19 . 1 1 3 3 THR N N 3 110.912 110.912 114.860 -3.948 17583
1772 1 19 . 1 1 3 3 THR HA H 3 3.862 3.862 4.013 -0.151 17583
1773 1 19 . 1 1 3 3 THR C C 3 176.563 176.563 175.025 1.538 17583
1774 1 19 . 1 1 3 3 THR CA C 3 63.637 63.637 61.159 2.478 17583
1775 1 19 . 1 1 3 3 THR CB C 3 68.670 68.670 69.518 -0.848 17583
1776 1 19 . 1 1 3 3 THR H H 3 7.416 7.416 7.962 -0.546 17583
1777 1 19 . 1 1 4 4 CYS N N 4 117.936 117.936 118.478 -0.542 17583
1778 1 19 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.273 -0.156 17583
1779 1 19 . 1 1 4 4 CYS C C 4 176.371 176.371 177.245 -0.874 17583
1780 1 19 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.866 -3.096 17583
1781 1 19 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.356 7.128 17583
1782 1 19 . 1 1 4 4 CYS H H 4 7.753 7.753 8.471 -0.718 17583
1783 1 19 . 1 1 5 5 TRP N N 5 118.457 118.457 119.046 -0.589 17583
1784 1 19 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.492 -0.252 17583
1785 1 19 . 1 1 5 5 TRP C C 5 175.831 175.831 178.156 -2.325 17583
1786 1 19 . 1 1 5 5 TRP CA C 5 60.127 60.127 58.174 1.953 17583
1787 1 19 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.395 0.194 17583
1788 1 19 . 1 1 5 5 TRP H H 5 7.800 7.800 7.913 -0.113 17583
1789 1 19 . 1 1 6 6 SER N N 6 114.289 114.289 116.947 -2.658 17583
1790 1 19 . 1 1 6 6 SER HA H 6 4.048 4.048 4.251 -0.203 17583
1791 1 19 . 1 1 6 6 SER C C 6 177.970 177.970 176.258 1.712 17583
1792 1 19 . 1 1 6 6 SER CA C 6 61.815 61.815 60.900 0.915 17583
1793 1 19 . 1 1 6 6 SER CB C 6 62.648 62.648 62.512 0.136 17583
1794 1 19 . 1 1 6 6 SER H H 6 7.829 7.829 7.258 0.571 17583
1795 1 19 . 1 1 7 7 CYS N N 7 117.111 117.111 121.003 -3.892 17583
1796 1 19 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.227 -0.205 17583
1797 1 19 . 1 1 7 7 CYS C C 7 174.951 174.951 176.385 -1.434 17583
1798 1 19 . 1 1 7 7 CYS CA C 7 57.336 57.336 60.861 -3.525 17583
1799 1 19 . 1 1 7 7 CYS CB C 7 32.286 32.286 26.016 6.270 17583
1800 1 19 . 1 1 7 7 CYS H H 7 7.198 7.198 7.477 -0.279 17583
1801 1 19 . 1 1 8 8 LEU N N 8 119.586 119.586 122.267 -2.681 17583
1802 1 19 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.124 -0.091 17583
1803 1 19 . 1 1 8 8 LEU C C 8 174.628 174.628 178.480 -3.852 17583
1804 1 19 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.186 -0.533 17583
1805 1 19 . 1 1 8 8 LEU CB C 8 42.110 42.110 42.053 0.057 17583
1806 1 19 . 1 1 8 8 LEU H H 8 7.801 7.801 7.753 0.048 17583
1807 1 19 . 1 1 9 9 VAL N N 9 115.037 115.037 118.692 -3.655 17583
1808 1 19 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.853 -0.084 17583
1809 1 19 . 1 1 9 9 VAL C C 9 178.641 178.641 177.572 1.069 17583
1810 1 19 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.051 0.653 17583
1811 1 19 . 1 1 9 9 VAL CB C 9 31.587 31.587 30.828 0.760 17583
1812 1 19 . 1 1 9 9 VAL H H 9 7.743 7.743 7.817 -0.074 17583
1813 1 19 . 1 1 10 10 CYS N N 10 117.287 117.287 118.459 -1.172 17583
1814 1 19 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.097 -0.058 17583
1815 1 19 . 1 1 10 10 CYS C C 10 176.537 176.537 176.088 0.449 17583
1816 1 19 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.785 -3.868 17583
1817 1 19 . 1 1 10 10 CYS CB C 10 31.993 31.993 24.951 7.042 17583
1818 1 19 . 1 1 10 10 CYS H H 10 7.243 7.243 7.631 -0.388 17583
1819 1 19 . 1 1 11 11 ALA N N 11 120.225 120.225 122.692 -2.467 17583
1820 1 19 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.110 -0.126 17583
1821 1 19 . 1 1 11 11 ALA C C 11 174.565 174.565 178.137 -3.572 17583
1822 1 19 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.854 0.333 17583
1823 1 19 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.130 -0.495 17583
1824 1 19 . 1 1 11 11 ALA H H 11 7.878 7.878 7.772 0.106 17583
1825 1 19 . 1 1 12 12 ALA N N 12 116.658 116.658 120.377 -3.719 17583
1826 1 19 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.182 -0.067 17583
1827 1 19 . 1 1 12 12 ALA C C 12 177.085 177.085 177.614 -0.529 17583
1828 1 19 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.654 0.361 17583
1829 1 19 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.261 -1.393 17583
1830 1 19 . 1 1 12 12 ALA H H 12 7.761 7.761 7.588 0.173 17583
1831 1 19 . 1 1 13 13 CYS N N 13 116.103 116.103 119.481 -3.378 17583
1832 1 19 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.381 -0.168 17583
1833 1 19 . 1 1 13 13 CYS C C 13 177.660 177.660 174.853 2.807 17583
1834 1 19 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.952 -4.050 17583
1835 1 19 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.580 7.823 17583
1836 1 19 . 1 1 13 13 CYS H H 13 7.216 7.216 7.693 -0.477 17583
1837 1 19 . 1 1 14 14 SER HA H 14 4.082 4.082 4.508 -0.426 17583
1838 1 19 . 1 1 14 14 SER CA C 14 58.706 58.706 59.929 -1.223 17583
1839 1 19 . 1 1 14 14 SER CB C 14 63.625 63.625 63.748 -0.123 17583
1840 1 19 . 1 1 15 15 VAL N N 15 116.083 116.083 120.146 -4.063 17583
1841 1 19 . 1 1 15 15 VAL HA H 15 4.002 4.002 3.975 0.027 17583
1842 1 19 . 1 1 15 15 VAL C C 15 174.575 174.575 175.022 -0.447 17583
1843 1 19 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.165 0.487 17583
1844 1 19 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.360 0.044 17583
1845 1 19 . 1 1 15 15 VAL H H 15 7.892 7.892 8.145 -0.253 17583
1846 1 19 . 1 1 16 16 GLU N N 16 118.503 118.503 117.776 0.727 17583
1847 1 19 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.488 -0.196 17583
1848 1 19 . 1 1 16 16 GLU C C 16 175.097 175.097 175.619 -0.522 17583
1849 1 19 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.601 -0.061 17583
1850 1 19 . 1 1 16 16 GLU CB C 16 27.546 27.546 32.519 -4.973 17583
1851 1 19 . 1 1 16 16 GLU H H 16 7.943 7.943 7.768 0.175 17583
1852 1 19 . 1 1 17 17 LEU N N 17 117.302 117.302 123.403 -6.101 17583
1853 1 19 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.146 -0.075 17583
1854 1 19 . 1 1 17 17 LEU CA C 17 57.730 57.730 56.264 1.466 17583
1855 1 19 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.314 -0.158 17583
1856 1 19 . 1 1 17 17 LEU H H 17 7.757 7.757 8.714 -0.957 17583
1857 1 19 . 1 1 30 30 ALA N N 30 122.010 122.010 125.255 -3.245 17583
1858 1 19 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.370 -0.124 17583
1859 1 19 . 1 1 30 30 ALA C C 30 173.587 173.587 178.106 -4.519 17583
1860 1 19 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.753 -0.593 17583
1861 1 19 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.560 -0.769 17583
1862 1 19 . 1 1 30 30 ALA H H 30 7.469 7.469 8.100 -0.631 17583
1863 1 20 . 1 1 2 2 TRP N N 2 124.885 124.885 120.488 4.397 17583
1864 1 20 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.977 -0.562 17583
1865 1 20 . 1 1 2 2 TRP C C 2 173.011 173.011 175.253 -2.242 17583
1866 1 20 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.123 2.438 17583
1867 1 20 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.800 -0.760 17583
1868 1 20 . 1 1 2 2 TRP H H 2 8.943 8.943 8.214 0.729 17583
1869 1 20 . 1 1 3 3 THR N N 3 110.912 110.912 115.631 -4.719 17583
1870 1 20 . 1 1 3 3 THR HA H 3 3.862 3.862 4.680 -0.818 17583
1871 1 20 . 1 1 3 3 THR C C 3 176.563 176.563 174.786 1.777 17583
1872 1 20 . 1 1 3 3 THR CA C 3 63.637 63.637 61.813 1.824 17583
1873 1 20 . 1 1 3 3 THR CB C 3 68.670 68.670 69.975 -1.305 17583
1874 1 20 . 1 1 3 3 THR H H 3 7.416 7.416 8.418 -1.002 17583
1875 1 20 . 1 1 4 4 CYS N N 4 117.936 117.936 122.235 -4.299 17583
1876 1 20 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.372 -0.255 17583
1877 1 20 . 1 1 4 4 CYS C C 4 176.371 176.371 176.338 0.033 17583
1878 1 20 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.560 -2.790 17583
1879 1 20 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.564 6.920 17583
1880 1 20 . 1 1 4 4 CYS H H 4 7.753 7.753 9.063 -1.310 17583
1881 1 20 . 1 1 5 5 TRP N N 5 118.457 118.457 120.336 -1.879 17583
1882 1 20 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.438 -0.198 17583
1883 1 20 . 1 1 5 5 TRP C C 5 175.831 175.831 178.310 -2.479 17583
1884 1 20 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.335 0.792 17583
1885 1 20 . 1 1 5 5 TRP CB C 5 28.589 28.589 29.351 -0.761 17583
1886 1 20 . 1 1 5 5 TRP H H 5 7.800 7.800 8.057 -0.257 17583
1887 1 20 . 1 1 6 6 SER N N 6 114.289 114.289 115.671 -1.382 17583
1888 1 20 . 1 1 6 6 SER HA H 6 4.048 4.048 4.300 -0.252 17583
1889 1 20 . 1 1 6 6 SER C C 6 177.970 177.970 176.495 1.475 17583
1890 1 20 . 1 1 6 6 SER CA C 6 61.815 61.815 60.908 0.907 17583
1891 1 20 . 1 1 6 6 SER CB C 6 62.648 62.648 62.702 -0.054 17583
1892 1 20 . 1 1 6 6 SER H H 6 7.829 7.829 8.106 -0.277 17583
1893 1 20 . 1 1 7 7 CYS N N 7 117.111 117.111 121.378 -4.267 17583
1894 1 20 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.401 -0.379 17583
1895 1 20 . 1 1 7 7 CYS C C 7 174.951 174.951 177.139 -2.188 17583
1896 1 20 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.333 -3.997 17583
1897 1 20 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.844 6.442 17583
1898 1 20 . 1 1 7 7 CYS H H 7 7.198 7.198 7.689 -0.491 17583
1899 1 20 . 1 1 8 8 LEU N N 8 119.586 119.586 121.798 -2.212 17583
1900 1 20 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.143 -0.110 17583
1901 1 20 . 1 1 8 8 LEU C C 8 174.628 174.628 178.230 -3.602 17583
1902 1 20 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.064 -0.411 17583
1903 1 20 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.061 1.049 17583
1904 1 20 . 1 1 8 8 LEU H H 8 7.801 7.801 8.084 -0.283 17583
1905 1 20 . 1 1 9 9 VAL N N 9 115.037 115.037 118.826 -3.789 17583
1906 1 20 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.763 0.006 17583
1907 1 20 . 1 1 9 9 VAL C C 9 178.641 178.641 177.443 1.198 17583
1908 1 20 . 1 1 9 9 VAL CA C 9 64.704 64.704 65.239 -0.535 17583
1909 1 20 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.284 0.303 17583
1910 1 20 . 1 1 9 9 VAL H H 9 7.743 7.743 7.723 0.020 17583
1911 1 20 . 1 1 10 10 CYS N N 10 117.287 117.287 118.427 -1.140 17583
1912 1 20 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.223 -0.184 17583
1913 1 20 . 1 1 10 10 CYS C C 10 176.537 176.537 176.376 0.161 17583
1914 1 20 . 1 1 10 10 CYS CA C 10 56.917 56.917 60.679 -3.762 17583
1915 1 20 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.081 6.912 17583
1916 1 20 . 1 1 10 10 CYS H H 10 7.243 7.243 7.852 -0.609 17583
1917 1 20 . 1 1 11 11 ALA N N 11 120.225 120.225 121.573 -1.348 17583
1918 1 20 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.132 -0.148 17583
1919 1 20 . 1 1 11 11 ALA C C 11 174.565 174.565 177.740 -3.175 17583
1920 1 20 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.412 0.775 17583
1921 1 20 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.496 -0.861 17583
1922 1 20 . 1 1 11 11 ALA H H 11 7.878 7.878 7.554 0.324 17583
1923 1 20 . 1 1 12 12 ALA N N 12 116.658 116.658 119.031 -2.373 17583
1924 1 20 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.275 -0.160 17583
1925 1 20 . 1 1 12 12 ALA C C 12 177.085 177.085 178.131 -1.046 17583
1926 1 20 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.553 0.463 17583
1927 1 20 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.174 -1.306 17583
1928 1 20 . 1 1 12 12 ALA H H 12 7.761 7.761 7.327 0.434 17583
1929 1 20 . 1 1 13 13 CYS N N 13 116.103 116.103 120.482 -4.379 17583
1930 1 20 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.454 -0.241 17583
1931 1 20 . 1 1 13 13 CYS C C 13 177.660 177.660 175.456 2.204 17583
1932 1 20 . 1 1 13 13 CYS CA C 13 55.902 55.902 59.657 -3.756 17583
1933 1 20 . 1 1 13 13 CYS CB C 13 32.403 32.403 24.958 7.445 17583
1934 1 20 . 1 1 13 13 CYS H H 13 7.216 7.216 7.647 -0.431 17583
1935 1 20 . 1 1 14 14 SER HA H 14 4.082 4.082 4.506 -0.424 17583
1936 1 20 . 1 1 14 14 SER CA C 14 58.706 58.706 59.712 -1.006 17583
1937 1 20 . 1 1 14 14 SER CB C 14 63.625 63.625 63.794 -0.169 17583
1938 1 20 . 1 1 15 15 VAL N N 15 116.083 116.083 120.790 -4.707 17583
1939 1 20 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.080 -0.078 17583
1940 1 20 . 1 1 15 15 VAL C C 15 174.575 174.575 175.648 -1.073 17583
1941 1 20 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.207 0.445 17583
1942 1 20 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.401 0.003 17583
1943 1 20 . 1 1 15 15 VAL H H 15 7.892 7.892 8.165 -0.273 17583
1944 1 20 . 1 1 16 16 GLU N N 16 118.503 118.503 119.342 -0.839 17583
1945 1 20 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.503 -0.211 17583
1946 1 20 . 1 1 16 16 GLU C C 16 175.097 175.097 175.911 -0.814 17583
1947 1 20 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.501 0.039 17583
1948 1 20 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.837 -4.291 17583
1949 1 20 . 1 1 16 16 GLU H H 16 7.943 7.943 7.789 0.154 17583
1950 1 20 . 1 1 17 17 LEU N N 17 117.302 117.302 124.870 -7.568 17583
1951 1 20 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.152 -0.081 17583
1952 1 20 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.787 1.943 17583
1953 1 20 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.206 -0.050 17583
1954 1 20 . 1 1 17 17 LEU H H 17 7.757 7.757 8.809 -1.052 17583
1955 1 20 . 1 1 30 30 ALA N N 30 122.010 122.010 124.231 -2.221 17583
1956 1 20 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.348 -0.102 17583
1957 1 20 . 1 1 30 30 ALA C C 30 173.587 173.587 177.309 -3.722 17583
1958 1 20 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.935 -0.775 17583
1959 1 20 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.635 -0.844 17583
1960 1 20 . 1 1 30 30 ALA H H 30 7.469 7.469 7.913 -0.444 17583
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 16 2.975 2.307 1.939 17583
2 1 1 "Average Difference" HA 17 0.272 0.251 0.108 17583
3 1 1 "Average Difference" C 15 2.202 0.849 2.103 17583
4 1 1 "Average Difference" CA 17 2.170 0.441 2.190 17583
5 1 1 "Average Difference" CB 17 3.704 -1.144 3.631 17583
6 1 1 "Average Difference" HN 16 0.497 0.261 0.437 17583
7 1 2 "Average Difference" N 16 3.961 2.632 3.058 17583
8 1 2 "Average Difference" HA 17 0.281 0.214 0.187 17583
9 1 2 "Average Difference" C 15 2.456 1.054 2.297 17583
10 1 2 "Average Difference" CA 17 2.082 0.525 2.077 17583
11 1 2 "Average Difference" CB 17 3.516 -1.161 3.421 17583
12 1 2 "Average Difference" HN 16 0.570 0.266 0.521 17583
13 1 3 "Average Difference" N 16 3.627 2.884 2.271 17583
14 1 3 "Average Difference" HA 17 0.285 0.234 0.168 17583
15 1 3 "Average Difference" C 15 2.369 1.076 2.184 17583
16 1 3 "Average Difference" CA 17 2.222 0.470 2.238 17583
17 1 3 "Average Difference" CB 17 3.637 -1.036 3.594 17583
18 1 3 "Average Difference" HN 16 0.690 0.344 0.618 17583
19 1 4 "Average Difference" N 16 2.877 1.829 2.293 17583
20 1 4 "Average Difference" HA 17 0.307 0.258 0.172 17583
21 1 4 "Average Difference" C 15 2.378 0.981 2.242 17583
22 1 4 "Average Difference" CA 17 2.125 0.501 2.129 17583
23 1 4 "Average Difference" CB 17 3.689 -0.927 3.680 17583
24 1 4 "Average Difference" HN 16 0.508 0.271 0.443 17583
25 1 5 "Average Difference" N 16 3.353 2.591 2.198 17583
26 1 5 "Average Difference" HA 17 0.318 0.262 0.187 17583
27 1 5 "Average Difference" C 15 2.264 0.913 2.144 17583
28 1 5 "Average Difference" CA 17 1.929 0.422 1.940 17583
29 1 5 "Average Difference" CB 17 3.577 -0.983 3.545 17583
30 1 5 "Average Difference" HN 16 0.561 0.185 0.548 17583
31 1 6 "Average Difference" N 16 3.008 2.189 2.131 17583
32 1 6 "Average Difference" HA 17 0.320 0.269 0.179 17583
33 1 6 "Average Difference" C 15 2.076 0.787 1.989 17583
34 1 6 "Average Difference" CA 17 2.057 0.411 2.078 17583
35 1 6 "Average Difference" CB 17 3.525 -1.143 3.437 17583
36 1 6 "Average Difference" HN 16 0.558 0.188 0.543 17583
37 1 7 "Average Difference" N 16 2.736 1.632 2.268 17583
38 1 7 "Average Difference" HA 17 0.239 0.210 0.118 17583
39 1 7 "Average Difference" C 15 2.462 0.871 2.384 17583
40 1 7 "Average Difference" CA 17 2.286 0.534 2.291 17583
41 1 7 "Average Difference" CB 17 3.614 -1.204 3.513 17583
42 1 7 "Average Difference" HN 16 0.395 0.150 0.378 17583
43 1 8 "Average Difference" N 16 3.053 2.539 1.751 17583
44 1 8 "Average Difference" HA 17 0.267 0.217 0.161 17583
45 1 8 "Average Difference" C 15 2.368 1.014 2.215 17583
46 1 8 "Average Difference" CA 17 2.157 0.429 2.179 17583
47 1 8 "Average Difference" CB 17 3.477 -1.039 3.420 17583
48 1 8 "Average Difference" HN 16 0.602 0.282 0.550 17583
49 1 9 "Average Difference" N 16 3.637 2.940 2.211 17583
50 1 9 "Average Difference" HA 17 0.277 0.245 0.134 17583
51 1 9 "Average Difference" C 15 2.474 1.100 2.293 17583
52 1 9 "Average Difference" CA 17 2.196 0.488 2.207 17583
53 1 9 "Average Difference" CB 17 3.541 -1.103 3.468 17583
54 1 9 "Average Difference" HN 16 0.524 0.289 0.452 17583
55 1 10 "Average Difference" N 16 3.181 2.038 2.523 17583
56 1 10 "Average Difference" HA 17 0.289 0.232 0.177 17583
57 1 10 "Average Difference" C 15 2.341 0.881 2.245 17583
58 1 10 "Average Difference" CA 17 1.993 0.645 1.944 17583
59 1 10 "Average Difference" CB 17 3.637 -1.018 3.599 17583
60 1 10 "Average Difference" HN 16 0.537 0.268 0.481 17583
61 1 11 "Average Difference" N 16 3.678 2.867 2.380 17583
62 1 11 "Average Difference" HA 17 0.201 0.154 0.133 17583
63 1 11 "Average Difference" C 15 2.346 0.888 2.248 17583
64 1 11 "Average Difference" CA 17 2.098 0.507 2.098 17583
65 1 11 "Average Difference" CB 17 3.718 -1.135 3.649 17583
66 1 11 "Average Difference" HN 16 0.428 0.208 0.386 17583
67 1 12 "Average Difference" N 16 3.588 2.916 2.158 17583
68 1 12 "Average Difference" HA 17 0.304 0.253 0.174 17583
69 1 12 "Average Difference" C 15 2.391 1.036 2.231 17583
70 1 12 "Average Difference" CA 17 2.035 0.417 2.053 17583
71 1 12 "Average Difference" CB 17 3.661 -1.218 3.559 17583
72 1 12 "Average Difference" HN 16 0.597 0.314 0.525 17583
73 1 13 "Average Difference" N 16 3.452 2.768 2.130 17583
74 1 13 "Average Difference" HA 17 0.277 0.218 0.176 17583
75 1 13 "Average Difference" C 15 2.287 0.871 2.189 17583
76 1 13 "Average Difference" CA 17 2.002 0.309 2.039 17583
77 1 13 "Average Difference" CB 17 3.527 -1.016 3.481 17583
78 1 13 "Average Difference" HN 16 0.614 0.258 0.576 17583
79 1 14 "Average Difference" N 16 3.776 2.952 2.432 17583
80 1 14 "Average Difference" HA 17 0.262 0.202 0.172 17583
81 1 14 "Average Difference" C 15 2.308 1.020 2.144 17583
82 1 14 "Average Difference" CA 17 1.985 0.631 1.940 17583
83 1 14 "Average Difference" CB 17 3.690 -1.119 3.625 17583
84 1 14 "Average Difference" HN 16 0.645 0.279 0.600 17583
85 1 15 "Average Difference" N 16 3.443 2.664 2.252 17583
86 1 15 "Average Difference" HA 17 0.262 0.202 0.173 17583
87 1 15 "Average Difference" C 15 2.406 1.015 2.258 17583
88 1 15 "Average Difference" CA 17 2.022 0.513 2.016 17583
89 1 15 "Average Difference" CB 17 3.306 -1.113 3.209 17583
90 1 15 "Average Difference" HN 16 0.562 0.265 0.512 17583
91 1 16 "Average Difference" N 16 3.227 2.446 2.174 17583
92 1 16 "Average Difference" HA 17 0.290 0.245 0.160 17583
93 1 16 "Average Difference" C 15 2.405 1.145 2.189 17583
94 1 16 "Average Difference" CA 17 2.087 0.499 2.089 17583
95 1 16 "Average Difference" CB 17 3.709 -1.247 3.601 17583
96 1 16 "Average Difference" HN 16 0.579 0.255 0.537 17583
97 1 17 "Average Difference" N 16 4.227 3.124 2.942 17583
98 1 17 "Average Difference" HA 17 0.259 0.201 0.168 17583
99 1 17 "Average Difference" C 15 2.195 1.041 2.001 17583
100 1 17 "Average Difference" CA 17 2.046 0.560 2.028 17583
101 1 17 "Average Difference" CB 17 3.464 -1.381 3.275 17583
102 1 17 "Average Difference" HN 16 0.628 0.211 0.611 17583
103 1 18 "Average Difference" N 16 3.040 2.417 1.905 17583
104 1 18 "Average Difference" HA 17 0.252 0.212 0.140 17583
105 1 18 "Average Difference" C 15 2.351 1.086 2.159 17583
106 1 18 "Average Difference" CA 17 1.990 0.625 1.947 17583
107 1 18 "Average Difference" CB 17 3.709 -1.096 3.652 17583
108 1 18 "Average Difference" HN 16 0.521 0.203 0.496 17583
109 1 19 "Average Difference" N 16 3.128 2.570 1.842 17583
110 1 19 "Average Difference" HA 17 0.175 0.146 0.099 17583
111 1 19 "Average Difference" C 15 2.368 0.937 2.252 17583
112 1 19 "Average Difference" CA 17 2.157 0.304 2.202 17583
113 1 19 "Average Difference" CB 17 3.679 -1.190 3.588 17583
114 1 19 "Average Difference" HN 16 0.535 0.133 0.535 17583
115 1 20 "Average Difference" N 16 3.674 2.670 2.606 17583
116 1 20 "Average Difference" HA 17 0.316 0.247 0.203 17583
117 1 20 "Average Difference" C 15 2.120 0.900 1.987 17583
118 1 20 "Average Difference" CA 17 2.023 0.436 2.037 17583
119 1 20 "Average Difference" CB 17 3.583 -1.098 3.515 17583
120 1 20 "Average Difference" HN 16 0.611 0.298 0.551 17583
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 17583
_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 TRP N N 2 124.885 124.885 122.587 2.298 17583
2 1 . 1 1 2 2 TRP HA H 2 4.415 4.415 4.658 -0.243 17583
3 1 . 1 1 2 2 TRP C C 2 173.011 173.011 176.087 -3.076 17583
4 1 . 1 1 2 2 TRP CA C 2 59.562 59.562 57.645 1.917 17583
5 1 . 1 1 2 2 TRP CB C 2 29.040 29.040 29.678 -0.638 17583
6 1 . 1 1 2 2 TRP H H 2 8.943 8.943 8.096 0.847 17583
7 1 . 1 1 3 3 THR N N 3 110.912 110.912 114.469 -3.557 17583
8 1 . 1 1 3 3 THR HA H 3 3.862 3.862 4.474 -0.612 17583
9 1 . 1 1 3 3 THR C C 3 176.563 176.563 174.798 1.765 17583
10 1 . 1 1 3 3 THR CA C 3 63.637 63.637 61.545 2.092 17583
11 1 . 1 1 3 3 THR CB C 3 68.670 68.670 70.294 -1.624 17583
12 1 . 1 1 3 3 THR H H 3 7.416 7.416 7.994 -0.578 17583
13 1 . 1 1 4 4 CYS N N 4 117.936 117.936 121.186 -3.250 17583
14 1 . 1 1 4 4 CYS HA H 4 4.117 4.117 4.304 -0.187 17583
15 1 . 1 1 4 4 CYS C C 4 176.371 176.371 176.625 -0.254 17583
16 1 . 1 1 4 4 CYS CA C 4 57.770 57.770 60.505 -2.735 17583
17 1 . 1 1 4 4 CYS CB C 4 33.484 33.484 26.533 6.951 17583
18 1 . 1 1 4 4 CYS H H 4 7.753 7.753 8.909 -1.156 17583
19 1 . 1 1 5 5 TRP N N 5 118.457 118.457 120.718 -2.262 17583
20 1 . 1 1 5 5 TRP HA H 5 4.240 4.240 4.486 -0.246 17583
21 1 . 1 1 5 5 TRP C C 5 175.831 175.831 178.650 -2.819 17583
22 1 . 1 1 5 5 TRP CA C 5 60.127 60.127 59.480 0.647 17583
23 1 . 1 1 5 5 TRP CB C 5 28.589 28.589 28.908 -0.319 17583
24 1 . 1 1 5 5 TRP H H 5 7.800 7.800 8.282 -0.482 17583
25 1 . 1 1 6 6 SER N N 6 114.289 114.289 116.100 -1.811 17583
26 1 . 1 1 6 6 SER HA H 6 4.048 4.048 4.339 -0.291 17583
27 1 . 1 1 6 6 SER C C 6 177.970 177.970 176.449 1.521 17583
28 1 . 1 1 6 6 SER CA C 6 61.815 61.815 61.169 0.645 17583
29 1 . 1 1 6 6 SER CB C 6 62.648 62.648 62.693 -0.045 17583
30 1 . 1 1 6 6 SER H H 6 7.829 7.829 8.152 -0.323 17583
31 1 . 1 1 7 7 CYS N N 7 117.111 117.111 120.632 -3.521 17583
32 1 . 1 1 7 7 CYS HA H 7 4.022 4.022 4.348 -0.326 17583
33 1 . 1 1 7 7 CYS C C 7 174.951 174.951 176.744 -1.793 17583
34 1 . 1 1 7 7 CYS CA C 7 57.336 57.336 61.026 -3.690 17583
35 1 . 1 1 7 7 CYS CB C 7 32.286 32.286 25.705 6.581 17583
36 1 . 1 1 7 7 CYS H H 7 7.198 7.198 7.720 -0.522 17583
37 1 . 1 1 8 8 LEU N N 8 119.586 119.586 121.975 -2.389 17583
38 1 . 1 1 8 8 LEU HA H 8 4.033 4.033 4.139 -0.106 17583
39 1 . 1 1 8 8 LEU C C 8 174.628 174.628 178.413 -3.785 17583
40 1 . 1 1 8 8 LEU CA C 8 57.653 57.653 58.110 -0.457 17583
41 1 . 1 1 8 8 LEU CB C 8 42.110 42.110 41.745 0.365 17583
42 1 . 1 1 8 8 LEU H H 8 7.801 7.801 7.902 -0.101 17583
43 1 . 1 1 9 9 VAL N N 9 115.037 115.037 119.009 -3.972 17583
44 1 . 1 1 9 9 VAL HA H 9 3.769 3.769 3.819 -0.050 17583
45 1 . 1 1 9 9 VAL C C 9 178.641 178.641 177.584 1.057 17583
46 1 . 1 1 9 9 VAL CA C 9 64.704 64.704 64.897 -0.193 17583
47 1 . 1 1 9 9 VAL CB C 9 31.587 31.587 31.284 0.303 17583
48 1 . 1 1 9 9 VAL H H 9 7.743 7.743 7.793 -0.050 17583
49 1 . 1 1 10 10 CYS N N 10 117.287 117.287 118.229 -0.942 17583
50 1 . 1 1 10 10 CYS HA H 10 4.039 4.039 4.222 -0.183 17583
51 1 . 1 1 10 10 CYS C C 10 176.537 176.537 176.474 0.063 17583
52 1 . 1 1 10 10 CYS CA C 10 56.917 56.917 61.027 -4.110 17583
53 1 . 1 1 10 10 CYS CB C 10 31.993 31.993 25.023 6.970 17583
54 1 . 1 1 10 10 CYS H H 10 7.243 7.243 7.655 -0.412 17583
55 1 . 1 1 11 11 ALA N N 11 120.225 120.225 122.119 -1.894 17583
56 1 . 1 1 11 11 ALA HA H 11 3.984 3.984 4.123 -0.139 17583
57 1 . 1 1 11 11 ALA C C 11 174.565 174.565 177.968 -3.403 17583
58 1 . 1 1 11 11 ALA CA C 11 54.187 54.187 53.793 0.394 17583
59 1 . 1 1 11 11 ALA CB C 11 17.635 17.635 18.266 -0.631 17583
60 1 . 1 1 11 11 ALA H H 11 7.878 7.878 7.675 0.203 17583
61 1 . 1 1 12 12 ALA N N 12 116.658 116.658 119.601 -2.943 17583
62 1 . 1 1 12 12 ALA HA H 12 4.115 4.115 4.230 -0.115 17583
63 1 . 1 1 12 12 ALA C C 12 177.085 177.085 177.687 -0.602 17583
64 1 . 1 1 12 12 ALA CA C 12 53.016 53.016 52.588 0.427 17583
65 1 . 1 1 12 12 ALA CB C 12 17.868 17.868 19.188 -1.320 17583
66 1 . 1 1 12 12 ALA H H 12 7.761 7.761 7.444 0.317 17583
67 1 . 1 1 13 13 CYS N N 13 116.103 116.103 119.290 -3.187 17583
68 1 . 1 1 13 13 CYS HA H 13 4.213 4.213 4.413 -0.200 17583
69 1 . 1 1 13 13 CYS C C 13 177.660 177.660 175.055 2.605 17583
70 1 . 1 1 13 13 CYS CA C 13 55.902 55.902 60.065 -4.163 17583
71 1 . 1 1 13 13 CYS CB C 13 32.403 32.403 25.135 7.268 17583
72 1 . 1 1 13 13 CYS H H 13 7.216 7.216 7.626 -0.410 17583
73 1 . 1 1 14 14 SER HA H 14 4.082 4.082 4.498 -0.416 17583
74 1 . 1 1 14 14 SER CA C 14 58.706 58.706 59.674 -0.968 17583
75 1 . 1 1 14 14 SER CB C 14 63.625 63.625 63.826 -0.201 17583
76 1 . 1 1 15 15 VAL N N 15 116.083 116.083 119.980 -3.897 17583
77 1 . 1 1 15 15 VAL HA H 15 4.002 4.002 4.126 -0.124 17583
78 1 . 1 1 15 15 VAL C C 15 174.575 174.575 175.859 -1.284 17583
79 1 . 1 1 15 15 VAL CA C 15 63.652 63.652 63.444 0.208 17583
80 1 . 1 1 15 15 VAL CB C 15 32.404 32.404 32.218 0.186 17583
81 1 . 1 1 15 15 VAL H H 15 7.892 7.892 8.151 -0.259 17583
82 1 . 1 1 16 16 GLU N N 16 118.503 118.503 118.974 -0.471 17583
83 1 . 1 1 16 16 GLU HA H 16 4.292 4.292 4.475 -0.183 17583
84 1 . 1 1 16 16 GLU C C 16 175.097 175.097 175.567 -0.470 17583
85 1 . 1 1 16 16 GLU CA C 16 55.540 55.540 55.544 -0.004 17583
86 1 . 1 1 16 16 GLU CB C 16 27.546 27.546 31.794 -4.248 17583
87 1 . 1 1 16 16 GLU H H 16 7.943 7.943 7.657 0.286 17583
88 1 . 1 1 17 17 LEU N N 17 117.302 117.302 122.776 -5.474 17583
89 1 . 1 1 17 17 LEU HA H 17 4.071 4.071 4.325 -0.254 17583
90 1 . 1 1 17 17 LEU CA C 17 57.730 57.730 55.551 2.179 17583
91 1 . 1 1 17 17 LEU CB C 17 42.156 42.156 42.482 -0.326 17583
92 1 . 1 1 17 17 LEU H H 17 7.757 7.757 8.521 -0.764 17583
93 1 . 1 1 30 30 ALA N N 30 122.010 122.010 125.517 -3.507 17583
94 1 . 1 1 30 30 ALA HA H 30 4.246 4.246 4.373 -0.127 17583
95 1 . 1 1 30 30 ALA C C 30 173.587 173.587 177.709 -4.122 17583
96 1 . 1 1 30 30 ALA CA C 30 52.160 52.160 52.567 -0.407 17583
97 1 . 1 1 30 30 ALA CB C 30 18.791 18.791 19.048 -0.257 17583
98 1 . 1 1 30 30 ALA H H 30 7.469 7.469 8.010 -0.541 17583
stop_
save_