data_19176
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19176
_Entry.PDB_ID 2M78
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 19176
_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 PHE HA H 2 4.880 4.880 4.914 -0.034 19176
2 1 1 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.738 0.179 19176
3 1 1 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.011 -1.239 19176
4 1 1 . 1 1 2 2 PHE H H 2 7.941 7.941 8.001 -0.060 19176
5 1 1 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.254 0.092 19176
6 1 1 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.074 -1.611 19176
7 1 1 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.847 18.235 19176
8 1 1 . 1 1 3 3 CYS H H 3 8.708 8.708 8.230 0.478 19176
9 1 1 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.717 -0.134 19176
10 1 1 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.208 0.863 19176
11 1 1 . 1 1 4 4 ARG CB C 4 32.315 32.315 31.982 0.333 19176
12 1 1 . 1 1 4 4 ARG H H 4 8.617 8.617 9.075 -0.458 19176
13 1 1 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.049 0.405 19176
14 1 1 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.080 -2.501 19176
15 1 1 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.890 19.020 19176
16 1 1 . 1 1 5 5 CYS H H 5 9.031 9.031 8.481 0.550 19176
17 1 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 5.044 -0.366 19176
18 1 1 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.768 0.789 19176
19 1 1 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.923 -1.670 19176
20 1 1 . 1 1 6 6 LEU H H 6 8.684 8.684 9.225 -0.541 19176
21 1 1 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.147 0.317 19176
22 1 1 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.033 -2.477 19176
23 1 1 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.845 19.878 19176
24 1 1 . 1 1 7 7 CYS H H 7 9.033 9.033 8.811 0.222 19176
25 1 1 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.517 -0.007 19176
26 1 1 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.674 0.879 19176
27 1 1 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.550 1.740 19176
28 1 1 . 1 1 8 8 ARG H H 8 8.554 8.554 9.020 -0.466 19176
29 1 1 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.051 -0.140 19176
30 1 1 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.098 0.151 19176
31 1 1 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.691 -0.411 19176
32 1 1 . 1 1 9 9 ARG H H 9 9.370 9.370 9.317 0.053 19176
33 1 1 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.727 0.625 19176
34 1 1 . 1 1 10 10 GLY H H 10 8.603 8.603 8.405 0.198 19176
35 1 1 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.777 0.185 19176
36 1 1 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.375 -0.968 19176
37 1 1 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.845 -0.724 19176
38 1 1 . 1 1 11 11 ASP H H 11 7.897 7.897 7.730 0.167 19176
39 1 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.572 -0.194 19176
40 1 1 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.954 -2.269 19176
41 1 1 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.510 19.402 19176
42 1 1 . 1 1 12 12 CYS H H 12 8.848 8.848 8.375 0.473 19176
43 1 1 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.768 -0.115 19176
44 1 1 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.981 0.087 19176
45 1 1 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.101 0.163 19176
46 1 1 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176
47 1 1 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.090 0.398 19176
48 1 1 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.285 -2.623 19176
49 1 1 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.077 18.826 19176
50 1 1 . 1 1 14 14 CYS H H 14 9.037 9.037 8.539 0.498 19176
51 1 1 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.625 -0.240 19176
52 1 1 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.043 0.356 19176
53 1 1 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.833 -1.486 19176
54 1 1 . 1 1 15 15 ILE H H 15 8.761 8.761 9.260 -0.499 19176
55 1 1 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.644 -0.071 19176
56 1 1 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.539 -2.038 19176
57 1 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.930 17.786 19176
58 1 1 . 1 1 16 16 CYS H H 16 9.090 9.090 8.742 0.348 19176
59 1 1 . 1 1 17 17 THR HA H 17 4.472 4.472 4.588 -0.116 19176
60 1 1 . 1 1 17 17 THR CA C 17 61.147 61.147 61.649 -0.502 19176
61 1 1 . 1 1 17 17 THR CB C 17 70.436 70.436 70.136 0.300 19176
62 1 1 . 1 1 17 17 THR H H 17 8.784 8.784 9.269 -0.485 19176
63 1 2 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.744 0.136 19176
64 1 2 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.731 -0.814 19176
65 1 2 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.994 -0.222 19176
66 1 2 . 1 1 2 2 PHE H H 2 7.941 7.941 7.858 0.083 19176
67 1 2 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.303 0.043 19176
68 1 2 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.129 -1.667 19176
69 1 2 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.527 17.555 19176
70 1 2 . 1 1 3 3 CYS H H 3 8.708 8.708 8.110 0.598 19176
71 1 2 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.657 -0.074 19176
72 1 2 . 1 1 4 4 ARG CA C 4 55.071 55.071 53.958 1.113 19176
73 1 2 . 1 1 4 4 ARG CB C 4 32.315 32.315 31.238 1.077 19176
74 1 2 . 1 1 4 4 ARG H H 4 8.617 8.617 8.879 -0.262 19176
75 1 2 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.146 0.308 19176
76 1 2 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.399 -2.820 19176
77 1 2 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.912 19.998 19176
78 1 2 . 1 1 5 5 CYS H H 5 9.031 9.031 8.466 0.565 19176
79 1 2 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.875 -0.197 19176
80 1 2 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.063 0.493 19176
81 1 2 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.939 -2.686 19176
82 1 2 . 1 1 6 6 LEU H H 6 8.684 8.684 9.305 -0.621 19176
83 1 2 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.204 0.260 19176
84 1 2 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.988 -2.432 19176
85 1 2 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.456 21.267 19176
86 1 2 . 1 1 7 7 CYS H H 7 9.033 9.033 8.844 0.189 19176
87 1 2 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.512 -0.002 19176
88 1 2 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.080 0.473 19176
89 1 2 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.931 0.359 19176
90 1 2 . 1 1 8 8 ARG H H 8 8.554 8.554 9.104 -0.550 19176
91 1 2 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.001 -0.090 19176
92 1 2 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.756 0.493 19176
93 1 2 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.875 -0.595 19176
94 1 2 . 1 1 9 9 ARG H H 9 9.370 9.370 9.287 0.083 19176
95 1 2 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.688 0.664 19176
96 1 2 . 1 1 10 10 GLY H H 10 8.603 8.603 8.202 0.401 19176
97 1 2 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.819 0.143 19176
98 1 2 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.435 -1.028 19176
99 1 2 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.674 -1.553 19176
100 1 2 . 1 1 11 11 ASP H H 11 7.897 7.897 7.740 0.157 19176
101 1 2 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.497 -0.119 19176
102 1 2 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.770 -2.085 19176
103 1 2 . 1 1 12 12 CYS CB C 12 46.912 46.912 26.948 19.964 19176
104 1 2 . 1 1 12 12 CYS H H 12 8.848 8.848 8.768 0.080 19176
105 1 2 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.745 -0.092 19176
106 1 2 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.562 0.506 19176
107 1 2 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.742 -1.478 19176
108 1 2 . 1 1 13 13 ARG H H 13 8.595 8.595 9.163 -0.568 19176
109 1 2 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.980 0.508 19176
110 1 2 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.224 -2.563 19176
111 1 2 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.116 19.787 19176
112 1 2 . 1 1 14 14 CYS H H 14 9.037 9.037 8.563 0.474 19176
113 1 2 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.395 -0.010 19176
114 1 2 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.287 1.112 19176
115 1 2 . 1 1 15 15 ILE CB C 15 40.347 40.347 38.378 1.969 19176
116 1 2 . 1 1 15 15 ILE H H 15 8.761 8.761 9.147 -0.386 19176
117 1 2 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.528 0.045 19176
118 1 2 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.594 -2.093 19176
119 1 2 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.644 17.072 19176
120 1 2 . 1 1 16 16 CYS H H 16 9.090 9.090 8.891 0.199 19176
121 1 2 . 1 1 17 17 THR HA H 17 4.472 4.472 4.648 -0.176 19176
122 1 2 . 1 1 17 17 THR CA C 17 61.147 61.147 62.022 -0.875 19176
123 1 2 . 1 1 17 17 THR CB C 17 70.436 70.436 71.398 -0.962 19176
124 1 2 . 1 1 17 17 THR H H 17 8.784 8.784 9.245 -0.461 19176
125 1 3 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.678 0.202 19176
126 1 3 . 1 1 2 2 PHE CA C 2 56.917 56.917 58.060 -1.143 19176
127 1 3 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.143 0.629 19176
128 1 3 . 1 1 2 2 PHE H H 2 7.941 7.941 7.824 0.117 19176
129 1 3 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.285 0.061 19176
130 1 3 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.557 -2.095 19176
131 1 3 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.756 18.326 19176
132 1 3 . 1 1 3 3 CYS H H 3 8.708 8.708 8.520 0.188 19176
133 1 3 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.710 -0.127 19176
134 1 3 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.631 0.440 19176
135 1 3 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.348 -0.033 19176
136 1 3 . 1 1 4 4 ARG H H 4 8.617 8.617 9.029 -0.412 19176
137 1 3 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.027 0.427 19176
138 1 3 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.752 -3.172 19176
139 1 3 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.501 19.409 19176
140 1 3 . 1 1 5 5 CYS H H 5 9.031 9.031 8.727 0.304 19176
141 1 3 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.805 -0.127 19176
142 1 3 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.862 -0.305 19176
143 1 3 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.643 -2.390 19176
144 1 3 . 1 1 6 6 LEU H H 6 8.684 8.684 9.316 -0.632 19176
145 1 3 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.025 0.439 19176
146 1 3 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.614 -3.058 19176
147 1 3 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.086 21.637 19176
148 1 3 . 1 1 7 7 CYS H H 7 9.033 9.033 8.788 0.245 19176
149 1 3 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.546 -0.036 19176
150 1 3 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.382 1.171 19176
151 1 3 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.954 0.336 19176
152 1 3 . 1 1 8 8 ARG H H 8 8.554 8.554 8.954 -0.400 19176
153 1 3 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.983 -0.072 19176
154 1 3 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.669 0.580 19176
155 1 3 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.103 -0.823 19176
156 1 3 . 1 1 9 9 ARG H H 9 9.370 9.370 9.243 0.127 19176
157 1 3 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.816 0.536 19176
158 1 3 . 1 1 10 10 GLY H H 10 8.603 8.603 8.260 0.343 19176
159 1 3 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.865 0.097 19176
160 1 3 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.084 -0.677 19176
161 1 3 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.245 -2.124 19176
162 1 3 . 1 1 11 11 ASP H H 11 7.897 7.897 7.749 0.148 19176
163 1 3 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.378 0.000 19176
164 1 3 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.764 -2.079 19176
165 1 3 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.809 19.103 19176
166 1 3 . 1 1 12 12 CYS H H 12 8.848 8.848 8.902 -0.054 19176
167 1 3 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.830 -0.177 19176
168 1 3 . 1 1 13 13 ARG CA C 13 55.068 55.068 53.806 1.262 19176
169 1 3 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.757 -1.493 19176
170 1 3 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176
171 1 3 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.020 0.468 19176
172 1 3 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.234 -2.573 19176
173 1 3 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.203 18.700 19176
174 1 3 . 1 1 14 14 CYS H H 14 9.037 9.037 8.530 0.507 19176
175 1 3 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.450 -0.065 19176
176 1 3 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.209 0.190 19176
177 1 3 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.017 -0.670 19176
178 1 3 . 1 1 15 15 ILE H H 15 8.761 8.761 9.201 -0.440 19176
179 1 3 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.591 -0.018 19176
180 1 3 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.773 -2.272 19176
181 1 3 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.411 18.305 19176
182 1 3 . 1 1 16 16 CYS H H 16 9.090 9.090 9.073 0.017 19176
183 1 3 . 1 1 17 17 THR HA H 17 4.472 4.472 4.610 -0.138 19176
184 1 3 . 1 1 17 17 THR CA C 17 61.147 61.147 61.739 -0.592 19176
185 1 3 . 1 1 17 17 THR CB C 17 70.436 70.436 71.116 -0.680 19176
186 1 3 . 1 1 17 17 THR H H 17 8.784 8.784 9.240 -0.456 19176
187 1 4 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.819 0.061 19176
188 1 4 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.096 -0.180 19176
189 1 4 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.740 -0.968 19176
190 1 4 . 1 1 2 2 PHE H H 2 7.941 7.941 7.807 0.134 19176
191 1 4 . 1 1 3 3 CYS HA H 3 5.346 5.346 4.980 0.366 19176
192 1 4 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.721 -2.259 19176
193 1 4 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.049 20.033 19176
194 1 4 . 1 1 3 3 CYS H H 3 8.708 8.708 8.119 0.589 19176
195 1 4 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.778 -0.195 19176
196 1 4 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.150 -0.079 19176
197 1 4 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.930 -1.615 19176
198 1 4 . 1 1 4 4 ARG H H 4 8.617 8.617 9.117 -0.500 19176
199 1 4 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.008 0.446 19176
200 1 4 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.826 -3.247 19176
201 1 4 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.212 19.698 19176
202 1 4 . 1 1 5 5 CYS H H 5 9.031 9.031 8.768 0.264 19176
203 1 4 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.769 -0.091 19176
204 1 4 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.588 0.969 19176
205 1 4 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.882 -0.629 19176
206 1 4 . 1 1 6 6 LEU H H 6 8.684 8.684 9.302 -0.618 19176
207 1 4 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.353 0.111 19176
208 1 4 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.794 -2.237 19176
209 1 4 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.622 18.101 19176
210 1 4 . 1 1 7 7 CYS H H 7 9.033 9.033 8.807 0.226 19176
211 1 4 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.486 0.024 19176
212 1 4 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.661 -0.108 19176
213 1 4 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.901 0.389 19176
214 1 4 . 1 1 8 8 ARG H H 8 8.554 8.554 9.065 -0.511 19176
215 1 4 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.030 -0.119 19176
216 1 4 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.261 0.988 19176
217 1 4 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.228 0.052 19176
218 1 4 . 1 1 9 9 ARG H H 9 9.370 9.370 9.332 0.038 19176
219 1 4 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.785 0.567 19176
220 1 4 . 1 1 10 10 GLY H H 10 8.603 8.603 8.535 0.068 19176
221 1 4 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.692 0.270 19176
222 1 4 . 1 1 11 11 ASP CA C 11 52.407 52.407 54.066 -1.659 19176
223 1 4 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.851 -0.730 19176
224 1 4 . 1 1 11 11 ASP H H 11 7.897 7.897 7.746 0.151 19176
225 1 4 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.480 -0.102 19176
226 1 4 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.577 -1.892 19176
227 1 4 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.041 18.871 19176
228 1 4 . 1 1 12 12 CYS H H 12 8.848 8.848 8.303 0.545 19176
229 1 4 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.715 -0.062 19176
230 1 4 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.723 0.345 19176
231 1 4 . 1 1 13 13 ARG CB C 13 32.264 32.264 31.421 0.843 19176
232 1 4 . 1 1 13 13 ARG H H 13 8.595 8.595 9.126 -0.531 19176
233 1 4 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.125 0.363 19176
234 1 4 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.603 -2.942 19176
235 1 4 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.590 20.313 19176
236 1 4 . 1 1 14 14 CYS H H 14 9.037 9.037 8.649 0.388 19176
237 1 4 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.439 -0.054 19176
238 1 4 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.276 0.123 19176
239 1 4 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.865 -1.518 19176
240 1 4 . 1 1 15 15 ILE H H 15 8.761 8.761 9.212 -0.451 19176
241 1 4 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.584 -0.011 19176
242 1 4 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.702 -2.201 19176
243 1 4 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.042 18.674 19176
244 1 4 . 1 1 16 16 CYS H H 16 9.090 9.090 8.851 0.239 19176
245 1 4 . 1 1 17 17 THR HA H 17 4.472 4.472 4.696 -0.224 19176
246 1 4 . 1 1 17 17 THR CA C 17 61.147 61.147 61.790 -0.643 19176
247 1 4 . 1 1 17 17 THR CB C 17 70.436 70.436 71.615 -1.179 19176
248 1 4 . 1 1 17 17 THR H H 17 8.784 8.784 9.316 -0.532 19176
249 1 5 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.918 -0.038 19176
250 1 5 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.988 -0.071 19176
251 1 5 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.646 -0.874 19176
252 1 5 . 1 1 2 2 PHE H H 2 7.941 7.941 7.861 0.080 19176
253 1 5 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.262 0.084 19176
254 1 5 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.397 -1.935 19176
255 1 5 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.764 17.318 19176
256 1 5 . 1 1 3 3 CYS H H 3 8.708 8.708 8.357 0.351 19176
257 1 5 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.631 -0.048 19176
258 1 5 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.547 -0.476 19176
259 1 5 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.569 -1.254 19176
260 1 5 . 1 1 4 4 ARG H H 4 8.617 8.617 8.930 -0.313 19176
261 1 5 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.152 0.302 19176
262 1 5 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.877 -2.299 19176
263 1 5 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.146 18.764 19176
264 1 5 . 1 1 5 5 CYS H H 5 9.031 9.031 8.559 0.472 19176
265 1 5 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.899 -0.221 19176
266 1 5 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.696 0.861 19176
267 1 5 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.435 -1.182 19176
268 1 5 . 1 1 6 6 LEU H H 6 8.684 8.684 9.305 -0.621 19176
269 1 5 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.429 0.035 19176
270 1 5 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.783 -2.227 19176
271 1 5 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.898 17.825 19176
272 1 5 . 1 1 7 7 CYS H H 7 9.033 9.033 8.796 0.237 19176
273 1 5 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.575 -0.065 19176
274 1 5 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.337 0.216 19176
275 1 5 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.810 0.480 19176
276 1 5 . 1 1 8 8 ARG H H 8 8.554 8.554 9.047 -0.493 19176
277 1 5 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.014 -0.103 19176
278 1 5 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.008 0.241 19176
279 1 5 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.725 -0.445 19176
280 1 5 . 1 1 9 9 ARG H H 9 9.370 9.370 9.262 0.108 19176
281 1 5 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.771 0.581 19176
282 1 5 . 1 1 10 10 GLY H H 10 8.603 8.603 8.422 0.181 19176
283 1 5 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.731 0.231 19176
284 1 5 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.772 -1.365 19176
285 1 5 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.021 -0.900 19176
286 1 5 . 1 1 11 11 ASP H H 11 7.897 7.897 7.755 0.142 19176
287 1 5 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.427 -0.049 19176
288 1 5 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.499 -1.814 19176
289 1 5 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.914 17.998 19176
290 1 5 . 1 1 12 12 CYS H H 12 8.848 8.848 8.494 0.354 19176
291 1 5 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.726 -0.073 19176
292 1 5 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.401 -0.333 19176
293 1 5 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.028 -0.764 19176
294 1 5 . 1 1 13 13 ARG H H 13 8.595 8.595 9.393 -0.798 19176
295 1 5 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.137 0.351 19176
296 1 5 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.981 -2.320 19176
297 1 5 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.194 19.709 19176
298 1 5 . 1 1 14 14 CYS H H 14 9.037 9.037 8.649 0.388 19176
299 1 5 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.568 -0.183 19176
300 1 5 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.280 0.119 19176
301 1 5 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.255 0.092 19176
302 1 5 . 1 1 15 15 ILE H H 15 8.761 8.761 9.236 -0.475 19176
303 1 5 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.650 -0.077 19176
304 1 5 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.294 -1.793 19176
305 1 5 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.442 18.274 19176
306 1 5 . 1 1 16 16 CYS H H 16 9.090 9.090 8.966 0.124 19176
307 1 5 . 1 1 17 17 THR HA H 17 4.472 4.472 4.637 -0.165 19176
308 1 5 . 1 1 17 17 THR CA C 17 61.147 61.147 61.751 -0.604 19176
309 1 5 . 1 1 17 17 THR CB C 17 70.436 70.436 70.580 -0.144 19176
310 1 5 . 1 1 17 17 THR H H 17 8.784 8.784 9.127 -0.343 19176
311 1 6 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.917 -0.037 19176
312 1 6 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.880 0.037 19176
313 1 6 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.199 -1.427 19176
314 1 6 . 1 1 2 2 PHE H H 2 7.941 7.941 7.924 0.017 19176
315 1 6 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.537 -0.191 19176
316 1 6 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.096 -1.634 19176
317 1 6 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.822 16.260 19176
318 1 6 . 1 1 3 3 CYS H H 3 8.708 8.708 7.991 0.717 19176
319 1 6 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.706 -0.123 19176
320 1 6 . 1 1 4 4 ARG CA C 4 55.071 55.071 53.791 1.280 19176
321 1 6 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.565 -1.250 19176
322 1 6 . 1 1 4 4 ARG H H 4 8.617 8.617 9.004 -0.387 19176
323 1 6 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.022 0.432 19176
324 1 6 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.029 -2.450 19176
325 1 6 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.115 18.795 19176
326 1 6 . 1 1 5 5 CYS H H 5 9.031 9.031 8.459 0.572 19176
327 1 6 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.855 -0.177 19176
328 1 6 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.326 0.231 19176
329 1 6 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.458 -2.205 19176
330 1 6 . 1 1 6 6 LEU H H 6 8.684 8.684 9.209 -0.525 19176
331 1 6 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.143 0.321 19176
332 1 6 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.954 -2.398 19176
333 1 6 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.239 20.484 19176
334 1 6 . 1 1 7 7 CYS H H 7 9.033 9.033 8.824 0.209 19176
335 1 6 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.562 -0.052 19176
336 1 6 . 1 1 8 8 ARG CA C 8 55.553 55.553 53.664 1.889 19176
337 1 6 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.211 2.079 19176
338 1 6 . 1 1 8 8 ARG H H 8 8.554 8.554 9.020 -0.466 19176
339 1 6 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.994 -0.083 19176
340 1 6 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.130 0.119 19176
341 1 6 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.653 -0.373 19176
342 1 6 . 1 1 9 9 ARG H H 9 9.370 9.370 9.323 0.047 19176
343 1 6 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.761 0.591 19176
344 1 6 . 1 1 10 10 GLY H H 10 8.603 8.603 8.435 0.168 19176
345 1 6 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.776 0.186 19176
346 1 6 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.199 -0.792 19176
347 1 6 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.790 -0.669 19176
348 1 6 . 1 1 11 11 ASP H H 11 7.897 7.897 7.784 0.113 19176
349 1 6 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.350 0.028 19176
350 1 6 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.895 -2.209 19176
351 1 6 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.108 19.805 19176
352 1 6 . 1 1 12 12 CYS H H 12 8.848 8.848 8.460 0.388 19176
353 1 6 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.727 -0.074 19176
354 1 6 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.276 0.792 19176
355 1 6 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.920 -1.656 19176
356 1 6 . 1 1 13 13 ARG H H 13 8.595 8.595 9.336 -0.741 19176
357 1 6 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.055 0.433 19176
358 1 6 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.177 -2.516 19176
359 1 6 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.082 18.820 19176
360 1 6 . 1 1 14 14 CYS H H 14 9.037 9.037 8.542 0.495 19176
361 1 6 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.385 0.000 19176
362 1 6 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.798 -0.399 19176
363 1 6 . 1 1 15 15 ILE CB C 15 40.347 40.347 38.717 1.630 19176
364 1 6 . 1 1 15 15 ILE H H 15 8.761 8.761 9.255 -0.494 19176
365 1 6 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.658 -0.085 19176
366 1 6 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.624 -2.123 19176
367 1 6 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.831 17.885 19176
368 1 6 . 1 1 16 16 CYS H H 16 9.090 9.090 8.982 0.108 19176
369 1 6 . 1 1 17 17 THR HA H 17 4.472 4.472 4.665 -0.193 19176
370 1 6 . 1 1 17 17 THR CA C 17 61.147 61.147 61.728 -0.581 19176
371 1 6 . 1 1 17 17 THR CB C 17 70.436 70.436 70.929 -0.493 19176
372 1 6 . 1 1 17 17 THR H H 17 8.784 8.784 9.209 -0.425 19176
373 1 7 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.860 0.020 19176
374 1 7 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.036 -0.119 19176
375 1 7 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.961 -1.189 19176
376 1 7 . 1 1 2 2 PHE H H 2 7.941 7.941 7.983 -0.042 19176
377 1 7 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.238 0.108 19176
378 1 7 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.968 -2.506 19176
379 1 7 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.070 20.012 19176
380 1 7 . 1 1 3 3 CYS H H 3 8.708 8.708 8.037 0.671 19176
381 1 7 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.861 -0.278 19176
382 1 7 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.127 -0.056 19176
383 1 7 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.166 -1.851 19176
384 1 7 . 1 1 4 4 ARG H H 4 8.617 8.617 9.104 -0.487 19176
385 1 7 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.197 0.257 19176
386 1 7 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.432 -1.853 19176
387 1 7 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.841 20.069 19176
388 1 7 . 1 1 5 5 CYS H H 5 9.031 9.031 8.658 0.373 19176
389 1 7 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.814 -0.136 19176
390 1 7 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.893 0.664 19176
391 1 7 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.611 -1.358 19176
392 1 7 . 1 1 6 6 LEU H H 6 8.684 8.684 9.123 -0.439 19176
393 1 7 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.358 0.106 19176
394 1 7 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.545 -1.990 19176
395 1 7 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.319 19.404 19176
396 1 7 . 1 1 7 7 CYS H H 7 9.033 9.033 8.456 0.577 19176
397 1 7 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.544 -0.034 19176
398 1 7 . 1 1 8 8 ARG CA C 8 55.553 55.553 53.938 1.615 19176
399 1 7 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.357 1.933 19176
400 1 7 . 1 1 8 8 ARG H H 8 8.554 8.554 8.987 -0.433 19176
401 1 7 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.031 -0.120 19176
402 1 7 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.632 0.617 19176
403 1 7 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.360 -0.080 19176
404 1 7 . 1 1 9 9 ARG H H 9 9.370 9.370 9.189 0.181 19176
405 1 7 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.797 0.555 19176
406 1 7 . 1 1 10 10 GLY H H 10 8.603 8.603 8.437 0.166 19176
407 1 7 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.806 0.156 19176
408 1 7 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.275 -0.868 19176
409 1 7 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.930 -0.809 19176
410 1 7 . 1 1 11 11 ASP H H 11 7.897 7.897 7.703 0.194 19176
411 1 7 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.271 0.107 19176
412 1 7 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.034 -2.349 19176
413 1 7 . 1 1 12 12 CYS CB C 12 46.912 46.912 26.841 20.071 19176
414 1 7 . 1 1 12 12 CYS H H 12 8.848 8.848 8.463 0.385 19176
415 1 7 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.748 -0.095 19176
416 1 7 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.362 -0.294 19176
417 1 7 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.077 -1.813 19176
418 1 7 . 1 1 13 13 ARG H H 13 8.595 8.595 9.242 -0.647 19176
419 1 7 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.188 0.300 19176
420 1 7 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.808 -2.147 19176
421 1 7 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.209 20.695 19176
422 1 7 . 1 1 14 14 CYS H H 14 9.037 9.037 8.647 0.390 19176
423 1 7 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.516 -0.131 19176
424 1 7 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.564 0.835 19176
425 1 7 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.522 -2.175 19176
426 1 7 . 1 1 15 15 ILE H H 15 8.761 8.761 9.183 -0.422 19176
427 1 7 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.285 0.288 19176
428 1 7 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.779 -2.278 19176
429 1 7 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.820 19.896 19176
430 1 7 . 1 1 16 16 CYS H H 16 9.090 9.090 8.649 0.441 19176
431 1 7 . 1 1 17 17 THR HA H 17 4.472 4.472 4.710 -0.238 19176
432 1 7 . 1 1 17 17 THR CA C 17 61.147 61.147 61.561 -0.414 19176
433 1 7 . 1 1 17 17 THR CB C 17 70.436 70.436 71.022 -0.586 19176
434 1 7 . 1 1 17 17 THR H H 17 8.784 8.784 9.123 -0.339 19176
435 1 8 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.910 -0.030 19176
436 1 8 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.810 0.107 19176
437 1 8 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.535 -1.763 19176
438 1 8 . 1 1 2 2 PHE H H 2 7.941 7.941 7.884 0.057 19176
439 1 8 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.403 -0.057 19176
440 1 8 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.449 -1.987 19176
441 1 8 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.300 18.782 19176
442 1 8 . 1 1 3 3 CYS H H 3 8.708 8.708 8.098 0.610 19176
443 1 8 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.852 -0.269 19176
444 1 8 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.498 0.573 19176
445 1 8 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.233 0.082 19176
446 1 8 . 1 1 4 4 ARG H H 4 8.617 8.617 9.219 -0.602 19176
447 1 8 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.248 0.206 19176
448 1 8 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.769 -2.190 19176
449 1 8 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.576 19.334 19176
450 1 8 . 1 1 5 5 CYS H H 5 9.031 9.031 8.818 0.213 19176
451 1 8 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.915 -0.237 19176
452 1 8 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.813 0.744 19176
453 1 8 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.493 -2.240 19176
454 1 8 . 1 1 6 6 LEU H H 6 8.684 8.684 9.296 -0.612 19176
455 1 8 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.392 0.072 19176
456 1 8 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.533 -1.977 19176
457 1 8 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.030 18.693 19176
458 1 8 . 1 1 7 7 CYS H H 7 9.033 9.033 8.638 0.395 19176
459 1 8 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.739 -0.229 19176
460 1 8 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.796 0.757 19176
461 1 8 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.549 -0.259 19176
462 1 8 . 1 1 8 8 ARG H H 8 8.554 8.554 9.028 -0.474 19176
463 1 8 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.021 -0.110 19176
464 1 8 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.407 -0.158 19176
465 1 8 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.831 -0.551 19176
466 1 8 . 1 1 9 9 ARG H H 9 9.370 9.370 9.268 0.102 19176
467 1 8 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.713 0.639 19176
468 1 8 . 1 1 10 10 GLY H H 10 8.603 8.603 8.175 0.428 19176
469 1 8 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.888 0.074 19176
470 1 8 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.061 -0.654 19176
471 1 8 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.203 -2.082 19176
472 1 8 . 1 1 11 11 ASP H H 11 7.897 7.897 8.110 -0.213 19176
473 1 8 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.043 0.335 19176
474 1 8 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.701 -3.016 19176
475 1 8 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.120 18.792 19176
476 1 8 . 1 1 12 12 CYS H H 12 8.848 8.848 8.933 -0.085 19176
477 1 8 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.737 -0.084 19176
478 1 8 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.711 -0.643 19176
479 1 8 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.899 -1.635 19176
480 1 8 . 1 1 13 13 ARG H H 13 8.595 8.595 9.203 -0.608 19176
481 1 8 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.028 0.460 19176
482 1 8 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.067 -2.406 19176
483 1 8 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.988 18.915 19176
484 1 8 . 1 1 14 14 CYS H H 14 9.037 9.037 8.604 0.433 19176
485 1 8 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.437 -0.052 19176
486 1 8 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.313 1.086 19176
487 1 8 . 1 1 15 15 ILE CB C 15 40.347 40.347 39.465 0.882 19176
488 1 8 . 1 1 15 15 ILE H H 15 8.761 8.761 9.229 -0.468 19176
489 1 8 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.653 -0.080 19176
490 1 8 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.711 -2.209 19176
491 1 8 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.426 17.290 19176
492 1 8 . 1 1 16 16 CYS H H 16 9.090 9.090 8.840 0.250 19176
493 1 8 . 1 1 17 17 THR HA H 17 4.472 4.472 4.604 -0.132 19176
494 1 8 . 1 1 17 17 THR CA C 17 61.147 61.147 61.927 -0.780 19176
495 1 8 . 1 1 17 17 THR CB C 17 70.436 70.436 70.475 -0.039 19176
496 1 8 . 1 1 17 17 THR H H 17 8.784 8.784 9.346 -0.562 19176
497 1 9 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.792 0.088 19176
498 1 9 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.579 -0.662 19176
499 1 9 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.174 -0.402 19176
500 1 9 . 1 1 2 2 PHE H H 2 7.941 7.941 7.847 0.094 19176
501 1 9 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.423 -0.077 19176
502 1 9 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.299 -1.837 19176
503 1 9 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.836 17.246 19176
504 1 9 . 1 1 3 3 CYS H H 3 8.708 8.708 8.201 0.507 19176
505 1 9 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.681 -0.098 19176
506 1 9 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.650 -0.579 19176
507 1 9 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.030 -1.715 19176
508 1 9 . 1 1 4 4 ARG H H 4 8.617 8.617 9.147 -0.530 19176
509 1 9 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.017 0.437 19176
510 1 9 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.076 -2.497 19176
511 1 9 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.177 19.733 19176
512 1 9 . 1 1 5 5 CYS H H 5 9.031 9.031 8.558 0.473 19176
513 1 9 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.768 -0.090 19176
514 1 9 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.920 0.637 19176
515 1 9 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.932 -1.679 19176
516 1 9 . 1 1 6 6 LEU H H 6 8.684 8.684 9.125 -0.441 19176
517 1 9 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.087 0.377 19176
518 1 9 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.928 -2.372 19176
519 1 9 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.327 20.396 19176
520 1 9 . 1 1 7 7 CYS H H 7 9.033 9.033 9.004 0.029 19176
521 1 9 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.545 -0.035 19176
522 1 9 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.641 0.912 19176
523 1 9 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.705 1.585 19176
524 1 9 . 1 1 8 8 ARG H H 8 8.554 8.554 9.092 -0.538 19176
525 1 9 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.980 -0.069 19176
526 1 9 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.111 0.138 19176
527 1 9 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.607 -0.327 19176
528 1 9 . 1 1 9 9 ARG H H 9 9.370 9.370 9.391 -0.021 19176
529 1 9 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.713 0.639 19176
530 1 9 . 1 1 10 10 GLY H H 10 8.603 8.603 8.439 0.164 19176
531 1 9 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.782 0.180 19176
532 1 9 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.635 -1.228 19176
533 1 9 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.094 -0.973 19176
534 1 9 . 1 1 11 11 ASP H H 11 7.897 7.897 7.784 0.113 19176
535 1 9 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.489 -0.111 19176
536 1 9 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.591 -1.906 19176
537 1 9 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.441 18.471 19176
538 1 9 . 1 1 12 12 CYS H H 12 8.848 8.848 8.569 0.279 19176
539 1 9 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.691 -0.038 19176
540 1 9 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.815 -0.747 19176
541 1 9 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.679 -1.415 19176
542 1 9 . 1 1 13 13 ARG H H 13 8.595 8.595 9.175 -0.580 19176
543 1 9 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.904 0.584 19176
544 1 9 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.539 -2.878 19176
545 1 9 . 1 1 14 14 CYS CB C 14 47.903 47.903 26.996 20.907 19176
546 1 9 . 1 1 14 14 CYS H H 14 9.037 9.037 8.570 0.467 19176
547 1 9 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.577 -0.192 19176
548 1 9 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.580 0.820 19176
549 1 9 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.541 -2.194 19176
550 1 9 . 1 1 15 15 ILE H H 15 8.761 8.761 9.155 -0.394 19176
551 1 9 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.544 0.029 19176
552 1 9 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.673 -2.172 19176
553 1 9 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.577 18.139 19176
554 1 9 . 1 1 16 16 CYS H H 16 9.090 9.090 8.780 0.310 19176
555 1 9 . 1 1 17 17 THR HA H 17 4.472 4.472 4.623 -0.151 19176
556 1 9 . 1 1 17 17 THR CA C 17 61.147 61.147 61.192 -0.045 19176
557 1 9 . 1 1 17 17 THR CB C 17 70.436 70.436 70.820 -0.384 19176
558 1 9 . 1 1 17 17 THR H H 17 8.784 8.784 9.228 -0.444 19176
559 1 10 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.831 0.049 19176
560 1 10 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.292 -0.375 19176
561 1 10 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.944 -1.172 19176
562 1 10 . 1 1 2 2 PHE H H 2 7.941 7.941 8.029 -0.088 19176
563 1 10 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.481 -0.135 19176
564 1 10 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.279 -1.817 19176
565 1 10 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.101 17.981 19176
566 1 10 . 1 1 3 3 CYS H H 3 8.708 8.708 8.158 0.550 19176
567 1 10 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.836 -0.253 19176
568 1 10 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.410 0.661 19176
569 1 10 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.208 0.107 19176
570 1 10 . 1 1 4 4 ARG H H 4 8.617 8.617 9.245 -0.628 19176
571 1 10 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.011 0.443 19176
572 1 10 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.886 -2.307 19176
573 1 10 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.471 18.439 19176
574 1 10 . 1 1 5 5 CYS H H 5 9.031 9.031 8.649 0.382 19176
575 1 10 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.763 -0.085 19176
576 1 10 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.810 0.746 19176
577 1 10 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.990 -0.738 19176
578 1 10 . 1 1 6 6 LEU H H 6 8.684 8.684 9.124 -0.440 19176
579 1 10 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.228 0.236 19176
580 1 10 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.009 -2.453 19176
581 1 10 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.023 19.700 19176
582 1 10 . 1 1 7 7 CYS H H 7 9.033 9.033 8.965 0.068 19176
583 1 10 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.525 -0.015 19176
584 1 10 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.954 0.599 19176
585 1 10 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.809 1.481 19176
586 1 10 . 1 1 8 8 ARG H H 8 8.554 8.554 9.003 -0.449 19176
587 1 10 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.989 -0.078 19176
588 1 10 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.713 0.536 19176
589 1 10 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.319 -0.039 19176
590 1 10 . 1 1 9 9 ARG H H 9 9.370 9.370 9.362 0.008 19176
591 1 10 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.688 0.664 19176
592 1 10 . 1 1 10 10 GLY H H 10 8.603 8.603 8.354 0.249 19176
593 1 10 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.758 0.204 19176
594 1 10 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.738 -1.331 19176
595 1 10 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.724 -0.603 19176
596 1 10 . 1 1 11 11 ASP H H 11 7.897 7.897 7.788 0.109 19176
597 1 10 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.476 -0.098 19176
598 1 10 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.833 -2.148 19176
599 1 10 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.115 18.797 19176
600 1 10 . 1 1 12 12 CYS H H 12 8.848 8.848 8.370 0.478 19176
601 1 10 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.652 0.001 19176
602 1 10 . 1 1 13 13 ARG CA C 13 55.068 55.068 56.076 -1.008 19176
603 1 10 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.667 -1.403 19176
604 1 10 . 1 1 13 13 ARG H H 13 8.595 8.595 9.202 -0.607 19176
605 1 10 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.706 0.782 19176
606 1 10 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.270 -2.609 19176
607 1 10 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.581 19.323 19176
608 1 10 . 1 1 14 14 CYS H H 14 9.037 9.037 8.634 0.403 19176
609 1 10 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.437 -0.052 19176
610 1 10 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.376 1.023 19176
611 1 10 . 1 1 15 15 ILE CB C 15 40.347 40.347 39.127 1.220 19176
612 1 10 . 1 1 15 15 ILE H H 15 8.761 8.761 9.059 -0.298 19176
613 1 10 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.665 -0.092 19176
614 1 10 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.699 -2.198 19176
615 1 10 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.005 17.711 19176
616 1 10 . 1 1 16 16 CYS H H 16 9.090 9.090 8.951 0.139 19176
617 1 10 . 1 1 17 17 THR HA H 17 4.472 4.472 4.619 -0.147 19176
618 1 10 . 1 1 17 17 THR CA C 17 61.147 61.147 61.599 -0.452 19176
619 1 10 . 1 1 17 17 THR CB C 17 70.436 70.436 70.082 0.354 19176
620 1 10 . 1 1 17 17 THR H H 17 8.784 8.784 9.249 -0.465 19176
621 1 11 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.763 0.117 19176
622 1 11 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.703 -0.786 19176
623 1 11 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.387 0.385 19176
624 1 11 . 1 1 2 2 PHE H H 2 7.941 7.941 8.052 -0.111 19176
625 1 11 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.283 0.063 19176
626 1 11 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.137 -1.675 19176
627 1 11 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.805 16.277 19176
628 1 11 . 1 1 3 3 CYS H H 3 8.708 8.708 8.339 0.369 19176
629 1 11 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.602 -0.019 19176
630 1 11 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.028 1.043 19176
631 1 11 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.824 -0.509 19176
632 1 11 . 1 1 4 4 ARG H H 4 8.617 8.617 8.925 -0.308 19176
633 1 11 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.221 0.233 19176
634 1 11 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.894 -2.315 19176
635 1 11 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.665 19.245 19176
636 1 11 . 1 1 5 5 CYS H H 5 9.031 9.031 8.509 0.522 19176
637 1 11 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.815 -0.137 19176
638 1 11 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.357 0.200 19176
639 1 11 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.463 -2.210 19176
640 1 11 . 1 1 6 6 LEU H H 6 8.684 8.684 9.270 -0.586 19176
641 1 11 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.169 0.295 19176
642 1 11 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.220 -2.664 19176
643 1 11 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.682 21.041 19176
644 1 11 . 1 1 7 7 CYS H H 7 9.033 9.033 8.795 0.238 19176
645 1 11 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.528 -0.018 19176
646 1 11 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.129 1.424 19176
647 1 11 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.610 1.680 19176
648 1 11 . 1 1 8 8 ARG H H 8 8.554 8.554 9.043 -0.489 19176
649 1 11 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.018 -0.107 19176
650 1 11 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.185 0.063 19176
651 1 11 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.092 -0.812 19176
652 1 11 . 1 1 9 9 ARG H H 9 9.370 9.370 9.398 -0.028 19176
653 1 11 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.684 0.669 19176
654 1 11 . 1 1 10 10 GLY H H 10 8.603 8.603 8.303 0.300 19176
655 1 11 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.820 0.142 19176
656 1 11 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.303 -0.896 19176
657 1 11 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.067 -0.946 19176
658 1 11 . 1 1 11 11 ASP H H 11 7.897 7.897 7.797 0.100 19176
659 1 11 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.148 0.230 19176
660 1 11 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.279 -2.594 19176
661 1 11 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.291 19.621 19176
662 1 11 . 1 1 12 12 CYS H H 12 8.848 8.848 8.536 0.312 19176
663 1 11 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.711 -0.058 19176
664 1 11 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.736 -0.668 19176
665 1 11 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.169 -1.905 19176
666 1 11 . 1 1 13 13 ARG H H 13 8.595 8.595 8.969 -0.374 19176
667 1 11 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.026 0.462 19176
668 1 11 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.929 -2.268 19176
669 1 11 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.824 19.079 19176
670 1 11 . 1 1 14 14 CYS H H 14 9.037 9.037 8.611 0.426 19176
671 1 11 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.372 0.013 19176
672 1 11 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.565 0.834 19176
673 1 11 . 1 1 15 15 ILE CB C 15 40.347 40.347 37.314 3.033 19176
674 1 11 . 1 1 15 15 ILE H H 15 8.761 8.761 9.133 -0.372 19176
675 1 11 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.675 -0.102 19176
676 1 11 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.397 -1.896 19176
677 1 11 . 1 1 16 16 CYS CB C 16 47.716 47.716 31.835 15.881 19176
678 1 11 . 1 1 16 16 CYS H H 16 9.090 9.090 8.780 0.310 19176
679 1 11 . 1 1 17 17 THR HA H 17 4.472 4.472 4.585 -0.113 19176
680 1 11 . 1 1 17 17 THR CA C 17 61.147 61.147 61.715 -0.568 19176
681 1 11 . 1 1 17 17 THR CB C 17 70.436 70.436 70.030 0.406 19176
682 1 11 . 1 1 17 17 THR H H 17 8.784 8.784 9.174 -0.390 19176
683 1 12 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.939 -0.059 19176
684 1 12 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.339 0.578 19176
685 1 12 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.504 -0.732 19176
686 1 12 . 1 1 2 2 PHE H H 2 7.941 7.941 7.877 0.064 19176
687 1 12 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.064 0.282 19176
688 1 12 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.301 -1.839 19176
689 1 12 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.980 18.102 19176
690 1 12 . 1 1 3 3 CYS H H 3 8.708 8.708 8.535 0.173 19176
691 1 12 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.506 0.077 19176
692 1 12 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.414 -0.344 19176
693 1 12 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.864 -0.549 19176
694 1 12 . 1 1 4 4 ARG H H 4 8.617 8.617 8.583 0.034 19176
695 1 12 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.181 0.273 19176
696 1 12 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.461 -1.882 19176
697 1 12 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.214 19.696 19176
698 1 12 . 1 1 5 5 CYS H H 5 9.031 9.031 8.566 0.465 19176
699 1 12 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.949 -0.271 19176
700 1 12 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.651 0.906 19176
701 1 12 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.457 -0.204 19176
702 1 12 . 1 1 6 6 LEU H H 6 8.684 8.684 9.062 -0.378 19176
703 1 12 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.156 0.308 19176
704 1 12 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.364 -2.808 19176
705 1 12 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.298 19.425 19176
706 1 12 . 1 1 7 7 CYS H H 7 9.033 9.033 8.586 0.447 19176
707 1 12 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.537 -0.027 19176
708 1 12 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.193 0.360 19176
709 1 12 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.991 0.299 19176
710 1 12 . 1 1 8 8 ARG H H 8 8.554 8.554 9.096 -0.542 19176
711 1 12 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.060 -0.149 19176
712 1 12 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.982 0.267 19176
713 1 12 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.688 -0.408 19176
714 1 12 . 1 1 9 9 ARG H H 9 9.370 9.370 9.460 -0.090 19176
715 1 12 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.866 0.486 19176
716 1 12 . 1 1 10 10 GLY H H 10 8.603 8.603 8.482 0.121 19176
717 1 12 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.887 0.075 19176
718 1 12 . 1 1 11 11 ASP CA C 11 52.407 52.407 52.735 -0.328 19176
719 1 12 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.316 -1.195 19176
720 1 12 . 1 1 11 11 ASP H H 11 7.897 7.897 7.770 0.127 19176
721 1 12 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.396 -0.018 19176
722 1 12 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.928 -2.243 19176
723 1 12 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.080 18.832 19176
724 1 12 . 1 1 12 12 CYS H H 12 8.848 8.848 8.745 0.103 19176
725 1 12 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.714 -0.061 19176
726 1 12 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.194 -0.126 19176
727 1 12 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.489 -1.225 19176
728 1 12 . 1 1 13 13 ARG H H 13 8.595 8.595 9.310 -0.715 19176
729 1 12 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.873 0.615 19176
730 1 12 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.943 -2.282 19176
731 1 12 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.848 19.055 19176
732 1 12 . 1 1 14 14 CYS H H 14 9.037 9.037 8.636 0.401 19176
733 1 12 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.350 0.035 19176
734 1 12 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.241 1.158 19176
735 1 12 . 1 1 15 15 ILE CB C 15 40.347 40.347 36.133 4.214 19176
736 1 12 . 1 1 15 15 ILE H H 15 8.761 8.761 9.037 -0.276 19176
737 1 12 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.518 0.055 19176
738 1 12 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.549 -2.048 19176
739 1 12 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.327 18.389 19176
740 1 12 . 1 1 16 16 CYS H H 16 9.090 9.090 8.822 0.268 19176
741 1 12 . 1 1 17 17 THR HA H 17 4.472 4.472 4.616 -0.144 19176
742 1 12 . 1 1 17 17 THR CA C 17 61.147 61.147 61.800 -0.653 19176
743 1 12 . 1 1 17 17 THR CB C 17 70.436 70.436 70.948 -0.512 19176
744 1 12 . 1 1 17 17 THR H H 17 8.784 8.784 9.111 -0.327 19176
745 1 13 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.840 0.040 19176
746 1 13 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.048 -0.131 19176
747 1 13 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.883 -0.111 19176
748 1 13 . 1 1 2 2 PHE H H 2 7.941 7.941 7.818 0.123 19176
749 1 13 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.208 0.138 19176
750 1 13 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.634 -2.172 19176
751 1 13 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.577 18.505 19176
752 1 13 . 1 1 3 3 CYS H H 3 8.708 8.708 8.535 0.173 19176
753 1 13 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.634 -0.051 19176
754 1 13 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.914 0.157 19176
755 1 13 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.836 -0.521 19176
756 1 13 . 1 1 4 4 ARG H H 4 8.617 8.617 9.224 -0.607 19176
757 1 13 . 1 1 5 5 CYS HA H 5 5.454 5.454 4.992 0.462 19176
758 1 13 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.734 -3.155 19176
759 1 13 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.261 19.649 19176
760 1 13 . 1 1 5 5 CYS H H 5 9.031 9.031 8.722 0.309 19176
761 1 13 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.857 -0.179 19176
762 1 13 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.357 0.200 19176
763 1 13 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.906 -2.653 19176
764 1 13 . 1 1 6 6 LEU H H 6 8.684 8.684 9.304 -0.620 19176
765 1 13 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.522 -0.058 19176
766 1 13 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.819 -2.263 19176
767 1 13 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.904 19.819 19176
768 1 13 . 1 1 7 7 CYS H H 7 9.033 9.033 8.725 0.308 19176
769 1 13 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.565 -0.055 19176
770 1 13 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.498 0.055 19176
771 1 13 . 1 1 8 8 ARG CB C 8 32.290 32.290 33.245 -0.955 19176
772 1 13 . 1 1 8 8 ARG H H 8 8.554 8.554 9.147 -0.593 19176
773 1 13 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.062 -0.151 19176
774 1 13 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.718 0.531 19176
775 1 13 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.154 -0.874 19176
776 1 13 . 1 1 9 9 ARG H H 9 9.370 9.370 9.277 0.093 19176
777 1 13 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.654 0.698 19176
778 1 13 . 1 1 10 10 GLY H H 10 8.603 8.603 8.216 0.387 19176
779 1 13 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.940 0.022 19176
780 1 13 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.016 -0.609 19176
781 1 13 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.880 -2.759 19176
782 1 13 . 1 1 11 11 ASP H H 11 7.897 7.897 7.727 0.170 19176
783 1 13 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.546 -0.168 19176
784 1 13 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.837 -2.152 19176
785 1 13 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.420 18.492 19176
786 1 13 . 1 1 12 12 CYS H H 12 8.848 8.848 8.918 -0.070 19176
787 1 13 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.778 -0.125 19176
788 1 13 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.780 0.288 19176
789 1 13 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.121 0.143 19176
790 1 13 . 1 1 13 13 ARG H H 13 8.595 8.595 9.265 -0.670 19176
791 1 13 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.764 0.724 19176
792 1 13 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.305 -2.644 19176
793 1 13 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.472 19.431 19176
794 1 13 . 1 1 14 14 CYS H H 14 9.037 9.037 8.570 0.467 19176
795 1 13 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.470 -0.085 19176
796 1 13 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.170 0.229 19176
797 1 13 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.721 -1.375 19176
798 1 13 . 1 1 15 15 ILE H H 15 8.761 8.761 8.817 -0.056 19176
799 1 13 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.483 0.090 19176
800 1 13 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.632 -2.131 19176
801 1 13 . 1 1 16 16 CYS CB C 16 47.716 47.716 31.114 16.602 19176
802 1 13 . 1 1 16 16 CYS H H 16 9.090 9.090 8.810 0.280 19176
803 1 13 . 1 1 17 17 THR HA H 17 4.472 4.472 4.669 -0.197 19176
804 1 13 . 1 1 17 17 THR CA C 17 61.147 61.147 61.794 -0.647 19176
805 1 13 . 1 1 17 17 THR CB C 17 70.436 70.436 70.659 -0.223 19176
806 1 13 . 1 1 17 17 THR H H 17 8.784 8.784 9.147 -0.363 19176
807 1 14 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.894 -0.014 19176
808 1 14 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.005 -0.088 19176
809 1 14 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.994 -1.222 19176
810 1 14 . 1 1 2 2 PHE H H 2 7.941 7.941 7.809 0.132 19176
811 1 14 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.354 -0.008 19176
812 1 14 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.430 -1.968 19176
813 1 14 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.302 16.780 19176
814 1 14 . 1 1 3 3 CYS H H 3 8.708 8.708 8.001 0.707 19176
815 1 14 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.694 -0.111 19176
816 1 14 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.437 0.634 19176
817 1 14 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.087 -0.772 19176
818 1 14 . 1 1 4 4 ARG H H 4 8.617 8.617 9.049 -0.432 19176
819 1 14 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.139 0.315 19176
820 1 14 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.633 -2.054 19176
821 1 14 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.142 19.768 19176
822 1 14 . 1 1 5 5 CYS H H 5 9.031 9.031 8.609 0.422 19176
823 1 14 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.834 -0.156 19176
824 1 14 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.245 0.312 19176
825 1 14 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.763 -1.510 19176
826 1 14 . 1 1 6 6 LEU H H 6 8.684 8.684 9.191 -0.507 19176
827 1 14 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.340 0.124 19176
828 1 14 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.390 -1.834 19176
829 1 14 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.761 19.962 19176
830 1 14 . 1 1 7 7 CYS H H 7 9.033 9.033 8.623 0.410 19176
831 1 14 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.459 0.051 19176
832 1 14 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.362 0.191 19176
833 1 14 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.341 0.949 19176
834 1 14 . 1 1 8 8 ARG H H 8 8.554 8.554 9.093 -0.539 19176
835 1 14 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.036 -0.125 19176
836 1 14 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.376 0.873 19176
837 1 14 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.266 0.014 19176
838 1 14 . 1 1 9 9 ARG H H 9 9.370 9.370 9.422 -0.052 19176
839 1 14 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.758 0.594 19176
840 1 14 . 1 1 10 10 GLY H H 10 8.603 8.603 8.406 0.197 19176
841 1 14 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.896 0.066 19176
842 1 14 . 1 1 11 11 ASP CA C 11 52.407 52.407 52.926 -0.519 19176
843 1 14 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.757 -1.636 19176
844 1 14 . 1 1 11 11 ASP H H 11 7.897 7.897 7.788 0.109 19176
845 1 14 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.071 0.307 19176
846 1 14 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.273 -2.588 19176
847 1 14 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.034 19.878 19176
848 1 14 . 1 1 12 12 CYS H H 12 8.848 8.848 8.849 -0.001 19176
849 1 14 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.845 -0.192 19176
850 1 14 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.444 0.624 19176
851 1 14 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.454 -0.190 19176
852 1 14 . 1 1 13 13 ARG H H 13 8.595 8.595 9.071 -0.476 19176
853 1 14 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.080 0.408 19176
854 1 14 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.159 -2.498 19176
855 1 14 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.424 19.479 19176
856 1 14 . 1 1 14 14 CYS H H 14 9.037 9.037 8.587 0.450 19176
857 1 14 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.474 -0.089 19176
858 1 14 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.474 -0.075 19176
859 1 14 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.079 -0.732 19176
860 1 14 . 1 1 15 15 ILE H H 15 8.761 8.761 9.198 -0.437 19176
861 1 14 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.669 -0.096 19176
862 1 14 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.685 -2.184 19176
863 1 14 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.958 16.758 19176
864 1 14 . 1 1 16 16 CYS H H 16 9.090 9.090 8.802 0.288 19176
865 1 14 . 1 1 17 17 THR HA H 17 4.472 4.472 4.661 -0.189 19176
866 1 14 . 1 1 17 17 THR CA C 17 61.147 61.147 62.071 -0.924 19176
867 1 14 . 1 1 17 17 THR CB C 17 70.436 70.436 71.580 -1.144 19176
868 1 14 . 1 1 17 17 THR H H 17 8.784 8.784 9.313 -0.529 19176
869 1 15 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.902 -0.022 19176
870 1 15 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.663 0.254 19176
871 1 15 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.549 -0.777 19176
872 1 15 . 1 1 2 2 PHE H H 2 7.941 7.941 7.797 0.144 19176
873 1 15 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.027 0.319 19176
874 1 15 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.530 -2.068 19176
875 1 15 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.863 19.219 19176
876 1 15 . 1 1 3 3 CYS H H 3 8.708 8.708 8.435 0.273 19176
877 1 15 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.651 -0.068 19176
878 1 15 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.483 0.587 19176
879 1 15 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.306 0.009 19176
880 1 15 . 1 1 4 4 ARG H H 4 8.617 8.617 9.063 -0.446 19176
881 1 15 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.102 0.352 19176
882 1 15 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.228 -2.649 19176
883 1 15 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.127 20.783 19176
884 1 15 . 1 1 5 5 CYS H H 5 9.031 9.031 8.659 0.372 19176
885 1 15 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.809 -0.131 19176
886 1 15 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.799 0.758 19176
887 1 15 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.268 -2.015 19176
888 1 15 . 1 1 6 6 LEU H H 6 8.684 8.684 9.289 -0.605 19176
889 1 15 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.266 0.198 19176
890 1 15 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.904 -2.348 19176
891 1 15 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.056 19.667 19176
892 1 15 . 1 1 7 7 CYS H H 7 9.033 9.033 8.902 0.131 19176
893 1 15 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.477 0.033 19176
894 1 15 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.070 0.483 19176
895 1 15 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.037 1.253 19176
896 1 15 . 1 1 8 8 ARG H H 8 8.554 8.554 9.052 -0.498 19176
897 1 15 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.049 -0.138 19176
898 1 15 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.280 -0.031 19176
899 1 15 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.895 -0.615 19176
900 1 15 . 1 1 9 9 ARG H H 9 9.370 9.370 9.269 0.101 19176
901 1 15 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.715 0.637 19176
902 1 15 . 1 1 10 10 GLY H H 10 8.603 8.603 8.466 0.137 19176
903 1 15 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.814 0.148 19176
904 1 15 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.849 -1.442 19176
905 1 15 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.438 -1.317 19176
906 1 15 . 1 1 11 11 ASP H H 11 7.897 7.897 7.800 0.097 19176
907 1 15 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.599 -0.221 19176
908 1 15 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.615 -1.930 19176
909 1 15 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.855 18.057 19176
910 1 15 . 1 1 12 12 CYS H H 12 8.848 8.848 8.648 0.200 19176
911 1 15 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.715 -0.062 19176
912 1 15 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.070 -0.002 19176
913 1 15 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.083 0.181 19176
914 1 15 . 1 1 13 13 ARG H H 13 8.595 8.595 9.223 -0.628 19176
915 1 15 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.168 0.320 19176
916 1 15 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.223 -2.562 19176
917 1 15 . 1 1 14 14 CYS CB C 14 47.903 47.903 26.927 20.977 19176
918 1 15 . 1 1 14 14 CYS H H 14 9.037 9.037 8.665 0.372 19176
919 1 15 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.462 -0.077 19176
920 1 15 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.267 0.132 19176
921 1 15 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.848 -1.501 19176
922 1 15 . 1 1 15 15 ILE H H 15 8.761 8.761 9.300 -0.539 19176
923 1 15 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.424 0.149 19176
924 1 15 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.734 -2.233 19176
925 1 15 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.501 18.215 19176
926 1 15 . 1 1 16 16 CYS H H 16 9.090 9.090 8.877 0.213 19176
927 1 15 . 1 1 17 17 THR HA H 17 4.472 4.472 4.656 -0.184 19176
928 1 15 . 1 1 17 17 THR CA C 17 61.147 61.147 61.755 -0.608 19176
929 1 15 . 1 1 17 17 THR CB C 17 70.436 70.436 70.886 -0.450 19176
930 1 15 . 1 1 17 17 THR H H 17 8.784 8.784 9.117 -0.333 19176
931 1 16 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.865 0.015 19176
932 1 16 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.140 -0.223 19176
933 1 16 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.973 -1.201 19176
934 1 16 . 1 1 2 2 PHE H H 2 7.941 7.941 7.922 0.019 19176
935 1 16 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.393 -0.047 19176
936 1 16 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.205 -1.742 19176
937 1 16 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.512 17.570 19176
938 1 16 . 1 1 3 3 CYS H H 3 8.708 8.708 8.011 0.697 19176
939 1 16 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.755 -0.172 19176
940 1 16 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.161 -0.090 19176
941 1 16 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.051 -0.736 19176
942 1 16 . 1 1 4 4 ARG H H 4 8.617 8.617 9.012 -0.395 19176
943 1 16 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.105 0.349 19176
944 1 16 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.998 -2.419 19176
945 1 16 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.691 19.219 19176
946 1 16 . 1 1 5 5 CYS H H 5 9.031 9.031 8.467 0.564 19176
947 1 16 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.814 -0.136 19176
948 1 16 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.725 0.832 19176
949 1 16 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.137 -0.884 19176
950 1 16 . 1 1 6 6 LEU H H 6 8.684 8.684 9.228 -0.544 19176
951 1 16 . 1 1 7 7 CYS HA H 7 5.464 5.464 4.954 0.510 19176
952 1 16 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.168 -2.612 19176
953 1 16 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.619 21.104 19176
954 1 16 . 1 1 7 7 CYS H H 7 9.033 9.033 9.059 -0.026 19176
955 1 16 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.568 -0.058 19176
956 1 16 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.916 0.637 19176
957 1 16 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.628 0.662 19176
958 1 16 . 1 1 8 8 ARG H H 8 8.554 8.554 8.970 -0.416 19176
959 1 16 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.001 -0.090 19176
960 1 16 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.176 0.073 19176
961 1 16 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.836 -0.556 19176
962 1 16 . 1 1 9 9 ARG H H 9 9.370 9.370 9.355 0.015 19176
963 1 16 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.754 0.598 19176
964 1 16 . 1 1 10 10 GLY H H 10 8.603 8.603 8.370 0.233 19176
965 1 16 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.822 0.140 19176
966 1 16 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.371 -0.964 19176
967 1 16 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.596 -1.475 19176
968 1 16 . 1 1 11 11 ASP H H 11 7.897 7.897 7.780 0.117 19176
969 1 16 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.436 -0.058 19176
970 1 16 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.462 -1.777 19176
971 1 16 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.960 18.952 19176
972 1 16 . 1 1 12 12 CYS H H 12 8.848 8.848 8.803 0.045 19176
973 1 16 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.700 -0.047 19176
974 1 16 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.861 0.207 19176
975 1 16 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.467 -1.203 19176
976 1 16 . 1 1 13 13 ARG H H 13 8.595 8.595 9.181 -0.586 19176
977 1 16 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.156 0.332 19176
978 1 16 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.238 -2.577 19176
979 1 16 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.773 20.130 19176
980 1 16 . 1 1 14 14 CYS H H 14 9.037 9.037 8.578 0.459 19176
981 1 16 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.396 -0.011 19176
982 1 16 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.153 0.246 19176
983 1 16 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.170 0.176 19176
984 1 16 . 1 1 15 15 ILE H H 15 8.761 8.761 9.285 -0.524 19176
985 1 16 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.565 0.008 19176
986 1 16 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.602 -2.100 19176
987 1 16 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.114 17.602 19176
988 1 16 . 1 1 16 16 CYS H H 16 9.090 9.090 8.902 0.188 19176
989 1 16 . 1 1 17 17 THR HA H 17 4.472 4.472 4.660 -0.188 19176
990 1 16 . 1 1 17 17 THR CA C 17 61.147 61.147 61.769 -0.622 19176
991 1 16 . 1 1 17 17 THR CB C 17 70.436 70.436 70.863 -0.427 19176
992 1 16 . 1 1 17 17 THR H H 17 8.784 8.784 9.264 -0.480 19176
993 1 17 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.878 0.002 19176
994 1 17 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.064 -0.147 19176
995 1 17 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.937 -0.165 19176
996 1 17 . 1 1 2 2 PHE H H 2 7.941 7.941 7.873 0.068 19176
997 1 17 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.391 -0.045 19176
998 1 17 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.351 -1.889 19176
999 1 17 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.014 18.068 19176
1000 1 17 . 1 1 3 3 CYS H H 3 8.708 8.708 8.456 0.252 19176
1001 1 17 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.668 -0.085 19176
1002 1 17 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.813 0.258 19176
1003 1 17 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.167 0.148 19176
1004 1 17 . 1 1 4 4 ARG H H 4 8.617 8.617 9.067 -0.450 19176
1005 1 17 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.201 0.253 19176
1006 1 17 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.320 -2.741 19176
1007 1 17 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.127 19.783 19176
1008 1 17 . 1 1 5 5 CYS H H 5 9.031 9.031 8.565 0.466 19176
1009 1 17 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.893 -0.215 19176
1010 1 17 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.179 0.378 19176
1011 1 17 . 1 1 6 6 LEU CB C 6 44.253 44.253 47.053 -2.800 19176
1012 1 17 . 1 1 6 6 LEU H H 6 8.684 8.684 9.252 -0.568 19176
1013 1 17 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.398 0.066 19176
1014 1 17 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.750 -2.194 19176
1015 1 17 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.759 18.964 19176
1016 1 17 . 1 1 7 7 CYS H H 7 9.033 9.033 8.773 0.261 19176
1017 1 17 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.544 -0.034 19176
1018 1 17 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.467 0.086 19176
1019 1 17 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.073 0.217 19176
1020 1 17 . 1 1 8 8 ARG H H 8 8.554 8.554 8.918 -0.364 19176
1021 1 17 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.027 -0.116 19176
1022 1 17 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.497 0.752 19176
1023 1 17 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.370 -0.090 19176
1024 1 17 . 1 1 9 9 ARG H H 9 9.370 9.370 9.255 0.115 19176
1025 1 17 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.794 0.558 19176
1026 1 17 . 1 1 10 10 GLY H H 10 8.603 8.603 8.445 0.158 19176
1027 1 17 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.907 0.055 19176
1028 1 17 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.033 -0.626 19176
1029 1 17 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.638 -1.517 19176
1030 1 17 . 1 1 11 11 ASP H H 11 7.897 7.897 7.769 0.128 19176
1031 1 17 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.473 -0.095 19176
1032 1 17 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.778 -2.093 19176
1033 1 17 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.376 18.536 19176
1034 1 17 . 1 1 12 12 CYS H H 12 8.848 8.848 8.840 0.008 19176
1035 1 17 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.725 -0.072 19176
1036 1 17 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.893 0.175 19176
1037 1 17 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.323 -1.059 19176
1038 1 17 . 1 1 13 13 ARG H H 13 8.595 8.595 9.193 -0.598 19176
1039 1 17 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.059 0.429 19176
1040 1 17 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.369 -2.708 19176
1041 1 17 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.304 19.599 19176
1042 1 17 . 1 1 14 14 CYS H H 14 9.037 9.037 8.534 0.503 19176
1043 1 17 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.428 -0.043 19176
1044 1 17 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.194 0.205 19176
1045 1 17 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.953 -0.606 19176
1046 1 17 . 1 1 15 15 ILE H H 15 8.761 8.761 9.265 -0.504 19176
1047 1 17 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.509 0.064 19176
1048 1 17 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.803 -2.302 19176
1049 1 17 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.487 18.229 19176
1050 1 17 . 1 1 16 16 CYS H H 16 9.090 9.090 9.009 0.081 19176
1051 1 17 . 1 1 17 17 THR HA H 17 4.472 4.472 4.599 -0.127 19176
1052 1 17 . 1 1 17 17 THR CA C 17 61.147 61.147 61.939 -0.792 19176
1053 1 17 . 1 1 17 17 THR CB C 17 70.436 70.436 71.698 -1.262 19176
1054 1 17 . 1 1 17 17 THR H H 17 8.784 8.784 9.176 -0.392 19176
1055 1 18 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.917 -0.037 19176
1056 1 18 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.818 0.099 19176
1057 1 18 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.328 -1.556 19176
1058 1 18 . 1 1 2 2 PHE H H 2 7.941 7.941 7.880 0.061 19176
1059 1 18 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.310 0.036 19176
1060 1 18 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.493 -2.031 19176
1061 1 18 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.641 19.441 19176
1062 1 18 . 1 1 3 3 CYS H H 3 8.708 8.708 8.152 0.556 19176
1063 1 18 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.777 -0.194 19176
1064 1 18 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.905 0.166 19176
1065 1 18 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.270 -1.955 19176
1066 1 18 . 1 1 4 4 ARG H H 4 8.617 8.617 9.152 -0.535 19176
1067 1 18 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.073 0.381 19176
1068 1 18 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.761 -2.183 19176
1069 1 18 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.910 20.000 19176
1070 1 18 . 1 1 5 5 CYS H H 5 9.031 9.031 8.739 0.292 19176
1071 1 18 . 1 1 6 6 LEU HA H 6 4.678 4.678 5.023 -0.345 19176
1072 1 18 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.282 1.275 19176
1073 1 18 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.600 -0.347 19176
1074 1 18 . 1 1 6 6 LEU H H 6 8.684 8.684 9.116 -0.432 19176
1075 1 18 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.305 0.159 19176
1076 1 18 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.168 -2.612 19176
1077 1 18 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.135 19.588 19176
1078 1 18 . 1 1 7 7 CYS H H 7 9.033 9.033 8.563 0.470 19176
1079 1 18 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.602 -0.092 19176
1080 1 18 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.763 0.790 19176
1081 1 18 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.836 0.454 19176
1082 1 18 . 1 1 8 8 ARG H H 8 8.554 8.554 9.021 -0.467 19176
1083 1 18 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.012 -0.101 19176
1084 1 18 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.023 0.226 19176
1085 1 18 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.729 -0.449 19176
1086 1 18 . 1 1 9 9 ARG H H 9 9.370 9.370 9.397 -0.027 19176
1087 1 18 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.860 0.492 19176
1088 1 18 . 1 1 10 10 GLY H H 10 8.603 8.603 8.453 0.150 19176
1089 1 18 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.819 0.143 19176
1090 1 18 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.522 -1.115 19176
1091 1 18 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.594 -1.473 19176
1092 1 18 . 1 1 11 11 ASP H H 11 7.897 7.897 7.724 0.173 19176
1093 1 18 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.518 -0.140 19176
1094 1 18 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.589 -1.904 19176
1095 1 18 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.558 18.354 19176
1096 1 18 . 1 1 12 12 CYS H H 12 8.848 8.848 8.745 0.103 19176
1097 1 18 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.698 -0.045 19176
1098 1 18 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.958 0.110 19176
1099 1 18 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.194 -0.930 19176
1100 1 18 . 1 1 13 13 ARG H H 13 8.595 8.595 9.135 -0.540 19176
1101 1 18 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.065 0.423 19176
1102 1 18 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.426 -2.765 19176
1103 1 18 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.054 19.849 19176
1104 1 18 . 1 1 14 14 CYS H H 14 9.037 9.037 8.491 0.546 19176
1105 1 18 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.542 -0.157 19176
1106 1 18 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.536 0.863 19176
1107 1 18 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.587 -2.240 19176
1108 1 18 . 1 1 15 15 ILE H H 15 8.761 8.761 9.220 -0.459 19176
1109 1 18 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.530 0.043 19176
1110 1 18 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.727 -2.226 19176
1111 1 18 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.825 19.891 19176
1112 1 18 . 1 1 16 16 CYS H H 16 9.090 9.090 8.919 0.171 19176
1113 1 18 . 1 1 17 17 THR HA H 17 4.472 4.472 4.681 -0.209 19176
1114 1 18 . 1 1 17 17 THR CA C 17 61.147 61.147 61.602 -0.455 19176
1115 1 18 . 1 1 17 17 THR CB C 17 70.436 70.436 71.114 -0.678 19176
1116 1 18 . 1 1 17 17 THR H H 17 8.784 8.784 9.321 -0.537 19176
1117 1 19 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.827 0.053 19176
1118 1 19 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.227 -0.310 19176
1119 1 19 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.203 -0.431 19176
1120 1 19 . 1 1 2 2 PHE H H 2 7.941 7.941 7.823 0.118 19176
1121 1 19 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.208 0.138 19176
1122 1 19 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.845 -2.383 19176
1123 1 19 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.091 18.991 19176
1124 1 19 . 1 1 3 3 CYS H H 3 8.708 8.708 8.292 0.416 19176
1125 1 19 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.738 -0.155 19176
1126 1 19 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.421 0.650 19176
1127 1 19 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.987 -1.672 19176
1128 1 19 . 1 1 4 4 ARG H H 4 8.617 8.617 9.093 -0.476 19176
1129 1 19 . 1 1 5 5 CYS HA H 5 5.454 5.454 4.954 0.500 19176
1130 1 19 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.886 -3.307 19176
1131 1 19 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.114 19.796 19176
1132 1 19 . 1 1 5 5 CYS H H 5 9.031 9.031 8.765 0.266 19176
1133 1 19 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.789 -0.111 19176
1134 1 19 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.986 0.571 19176
1135 1 19 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.631 -0.378 19176
1136 1 19 . 1 1 6 6 LEU H H 6 8.684 8.684 9.128 -0.444 19176
1137 1 19 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.346 0.118 19176
1138 1 19 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.655 -2.099 19176
1139 1 19 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.751 18.972 19176
1140 1 19 . 1 1 7 7 CYS H H 7 9.033 9.033 8.867 0.166 19176
1141 1 19 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.520 -0.010 19176
1142 1 19 . 1 1 8 8 ARG CA C 8 55.553 55.553 56.043 -0.490 19176
1143 1 19 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.628 -0.338 19176
1144 1 19 . 1 1 8 8 ARG H H 8 8.554 8.554 9.026 -0.472 19176
1145 1 19 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.061 -0.150 19176
1146 1 19 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.895 0.354 19176
1147 1 19 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.745 -0.465 19176
1148 1 19 . 1 1 9 9 ARG H H 9 9.370 9.370 9.317 0.053 19176
1149 1 19 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.848 0.504 19176
1150 1 19 . 1 1 10 10 GLY H H 10 8.603 8.603 8.481 0.122 19176
1151 1 19 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.824 0.138 19176
1152 1 19 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.604 -1.197 19176
1153 1 19 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.543 -1.422 19176
1154 1 19 . 1 1 11 11 ASP H H 11 7.897 7.897 7.717 0.180 19176
1155 1 19 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.461 -0.083 19176
1156 1 19 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.733 -2.048 19176
1157 1 19 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.605 18.307 19176
1158 1 19 . 1 1 12 12 CYS H H 12 8.848 8.848 8.718 0.130 19176
1159 1 19 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.756 -0.103 19176
1160 1 19 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.429 0.639 19176
1161 1 19 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.786 -0.522 19176
1162 1 19 . 1 1 13 13 ARG H H 13 8.595 8.595 9.207 -0.612 19176
1163 1 19 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.709 0.779 19176
1164 1 19 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.777 -3.116 19176
1165 1 19 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.660 20.243 19176
1166 1 19 . 1 1 14 14 CYS H H 14 9.037 9.037 8.877 0.161 19176
1167 1 19 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.443 -0.058 19176
1168 1 19 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.285 1.114 19176
1169 1 19 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.706 -0.359 19176
1170 1 19 . 1 1 15 15 ILE H H 15 8.761 8.761 9.006 -0.245 19176
1171 1 19 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.047 0.526 19176
1172 1 19 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.973 -2.472 19176
1173 1 19 . 1 1 16 16 CYS CB C 16 47.716 47.716 28.655 19.061 19176
1174 1 19 . 1 1 16 16 CYS H H 16 9.090 9.090 9.010 0.080 19176
1175 1 19 . 1 1 17 17 THR HA H 17 4.472 4.472 4.599 -0.127 19176
1176 1 19 . 1 1 17 17 THR CA C 17 61.147 61.147 61.100 0.047 19176
1177 1 19 . 1 1 17 17 THR CB C 17 70.436 70.436 70.813 -0.377 19176
1178 1 19 . 1 1 17 17 THR H H 17 8.784 8.784 9.165 -0.381 19176
1179 1 20 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.913 -0.033 19176
1180 1 20 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.534 0.383 19176
1181 1 20 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.867 -1.095 19176
1182 1 20 . 1 1 2 2 PHE H H 2 7.941 7.941 7.816 0.125 19176
1183 1 20 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.271 0.075 19176
1184 1 20 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.251 -1.789 19176
1185 1 20 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.955 18.127 19176
1186 1 20 . 1 1 3 3 CYS H H 3 8.708 8.708 8.394 0.314 19176
1187 1 20 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.564 0.019 19176
1188 1 20 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.826 0.245 19176
1189 1 20 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.411 -1.097 19176
1190 1 20 . 1 1 4 4 ARG H H 4 8.617 8.617 9.062 -0.445 19176
1191 1 20 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.116 0.338 19176
1192 1 20 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.153 -2.574 19176
1193 1 20 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.130 20.780 19176
1194 1 20 . 1 1 5 5 CYS H H 5 9.031 9.031 8.599 0.432 19176
1195 1 20 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.825 -0.147 19176
1196 1 20 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.723 0.834 19176
1197 1 20 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.590 -2.337 19176
1198 1 20 . 1 1 6 6 LEU H H 6 8.684 8.684 9.294 -0.610 19176
1199 1 20 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.444 0.020 19176
1200 1 20 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.772 -2.216 19176
1201 1 20 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.857 18.866 19176
1202 1 20 . 1 1 7 7 CYS H H 7 9.033 9.033 8.825 0.208 19176
1203 1 20 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.541 -0.031 19176
1204 1 20 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.093 0.461 19176
1205 1 20 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.020 1.270 19176
1206 1 20 . 1 1 8 8 ARG H H 8 8.554 8.554 9.043 -0.489 19176
1207 1 20 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.020 -0.109 19176
1208 1 20 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.742 0.507 19176
1209 1 20 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.439 -0.160 19176
1210 1 20 . 1 1 9 9 ARG H H 9 9.370 9.370 9.340 0.030 19176
1211 1 20 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.691 0.661 19176
1212 1 20 . 1 1 10 10 GLY H H 10 8.603 8.603 8.314 0.289 19176
1213 1 20 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.796 0.166 19176
1214 1 20 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.482 -1.075 19176
1215 1 20 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.041 -0.920 19176
1216 1 20 . 1 1 11 11 ASP H H 11 7.897 7.897 7.761 0.136 19176
1217 1 20 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.515 -0.137 19176
1218 1 20 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.809 -2.124 19176
1219 1 20 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.363 18.549 19176
1220 1 20 . 1 1 12 12 CYS H H 12 8.848 8.848 8.553 0.294 19176
1221 1 20 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.699 -0.046 19176
1222 1 20 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.802 -0.734 19176
1223 1 20 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.025 -1.761 19176
1224 1 20 . 1 1 13 13 ARG H H 13 8.595 8.595 9.298 -0.703 19176
1225 1 20 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.208 0.280 19176
1226 1 20 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.005 -2.344 19176
1227 1 20 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.716 20.187 19176
1228 1 20 . 1 1 14 14 CYS H H 14 9.037 9.037 8.610 0.427 19176
1229 1 20 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.469 -0.084 19176
1230 1 20 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.353 1.046 19176
1231 1 20 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.940 -0.593 19176
1232 1 20 . 1 1 15 15 ILE H H 15 8.761 8.761 9.236 -0.475 19176
1233 1 20 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.518 0.055 19176
1234 1 20 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.635 -2.134 19176
1235 1 20 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.794 16.922 19176
1236 1 20 . 1 1 16 16 CYS H H 16 9.090 9.090 8.745 0.345 19176
1237 1 20 . 1 1 17 17 THR HA H 17 4.472 4.472 4.607 -0.135 19176
1238 1 20 . 1 1 17 17 THR CA C 17 61.147 61.147 61.662 -0.515 19176
1239 1 20 . 1 1 17 17 THR CB C 17 70.436 70.436 70.431 0.004 19176
1240 1 20 . 1 1 17 17 THR H H 17 8.784 8.784 9.176 -0.392 19176
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19176
2 1 1 "Average Difference" HA 17 0.260 -0.043 0.265 19176
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19176
4 1 1 "Average Difference" CA 16 1.481 0.691 1.352 19176
5 1 1 "Average Difference" CB 15 11.964 -7.344 9.777 19176
6 1 1 "Average Difference" HN 16 0.420 0.008 0.434 19176
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19176
8 1 2 "Average Difference" HA 17 0.236 -0.083 0.228 19176
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19176
10 1 2 "Average Difference" CA 16 1.547 0.720 1.415 19176
11 1 2 "Average Difference" CB 15 12.275 -7.437 10.109 19176
12 1 2 "Average Difference" HN 16 0.405 0.001 0.418 19176
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19176
14 1 3 "Average Difference" HA 17 0.256 -0.098 0.244 19176
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19176
16 1 3 "Average Difference" CA 16 1.694 0.862 1.507 19176
17 1 3 "Average Difference" CB 15 12.234 -7.215 10.226 19176
18 1 3 "Average Difference" HN 16 0.364 0.063 0.370 19176
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19176
20 1 4 "Average Difference" HA 17 0.264 -0.098 0.253 19176
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19176
22 1 4 "Average Difference" CA 16 1.645 0.903 1.420 19176
23 1 4 "Average Difference" CB 15 12.230 -7.356 10.113 19176
24 1 4 "Average Difference" HN 16 0.409 0.031 0.421 19176
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19176
26 1 5 "Average Difference" HA 17 0.223 -0.046 0.225 19176
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19176
28 1 5 "Average Difference" CA 16 1.361 0.826 1.117 19176
29 1 5 "Average Difference" CB 15 11.609 -6.993 9.592 19176
30 1 5 "Average Difference" HN 16 0.393 0.038 0.404 19176
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19176
32 1 6 "Average Difference" HA 17 0.252 -0.069 0.250 19176
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19176
34 1 6 "Average Difference" CA 16 1.531 0.635 1.439 19176
35 1 6 "Average Difference" CB 15 11.896 -7.179 9.818 19176
36 1 6 "Average Difference" HN 16 0.430 0.013 0.444 19176
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19176
38 1 7 "Average Difference" HA 17 0.233 -0.065 0.230 19176
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19176
40 1 7 "Average Difference" CA 16 1.467 0.662 1.353 19176
41 1 7 "Average Difference" CB 15 12.718 -7.481 10.646 19176
42 1 7 "Average Difference" HN 16 0.422 -0.036 0.434 19176
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19176
44 1 8 "Average Difference" HA 17 0.234 -0.030 0.239 19176
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19176
46 1 8 "Average Difference" CA 16 1.520 0.757 1.361 19176
47 1 8 "Average Difference" CB 15 11.838 -6.947 9.922 19176
48 1 8 "Average Difference" HN 16 0.429 0.071 0.437 19176
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19176
50 1 9 "Average Difference" HA 17 0.267 -0.093 0.258 19176
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19176
52 1 9 "Average Difference" CA 16 1.522 0.861 1.296 19176
53 1 9 "Average Difference" CB 15 12.183 -7.159 10.204 19176
54 1 9 "Average Difference" HN 16 0.385 0.032 0.397 19176
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19176
56 1 10 "Average Difference" HA 17 0.288 -0.087 0.283 19176
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19176
58 1 10 "Average Difference" CA 16 1.524 0.779 1.352 19176
59 1 10 "Average Difference" CB 15 11.832 -7.410 9.547 19176
60 1 10 "Average Difference" HN 16 0.388 0.037 0.399 19176
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19176
62 1 11 "Average Difference" HA 17 0.222 -0.098 0.205 19176
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19176
64 1 11 "Average Difference" CA 16 1.525 0.756 1.368 19176
65 1 11 "Average Difference" CB 15 11.837 -7.351 9.604 19176
66 1 11 "Average Difference" HN 16 0.359 0.005 0.371 19176
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19176
68 1 12 "Average Difference" HA 17 0.263 -0.103 0.249 19176
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19176
70 1 12 "Average Difference" CA 16 1.433 0.675 1.305 19176
71 1 12 "Average Difference" CB 15 12.030 -7.546 9.698 19176
72 1 12 "Average Difference" HN 16 0.341 0.008 0.352 19176
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19176
74 1 13 "Average Difference" HA 17 0.271 -0.062 0.271 19176
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19176
76 1 13 "Average Difference" CA 16 1.536 0.859 1.315 19176
77 1 13 "Average Difference" CB 15 11.930 -6.878 10.090 19176
78 1 13 "Average Difference" HN 16 0.388 0.042 0.399 19176
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19176
80 1 14 "Average Difference" HA 17 0.229 -0.059 0.228 19176
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19176
82 1 14 "Average Difference" CA 16 1.422 0.719 1.267 19176
83 1 14 "Average Difference" CB 15 11.933 -7.092 9.934 19176
84 1 14 "Average Difference" HN 16 0.406 0.016 0.419 19176
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19176
86 1 15 "Average Difference" HA 17 0.236 -0.081 0.229 19176
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19176
88 1 15 "Average Difference" CA 16 1.504 0.814 1.306 19176
89 1 15 "Average Difference" CB 15 12.374 -7.446 10.230 19176
90 1 15 "Average Difference" HN 16 0.364 0.063 0.371 19176
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19176
92 1 16 "Average Difference" HA 17 0.243 -0.076 0.238 19176
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19176
94 1 16 "Average Difference" CA 16 1.433 0.783 1.239 19176
95 1 16 "Average Difference" CB 15 12.125 -7.262 10.050 19176
96 1 16 "Average Difference" HN 16 0.403 0.040 0.414 19176
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19176
98 1 17 "Average Difference" HA 17 0.210 -0.046 0.211 19176
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19176
100 1 17 "Average Difference" CA 16 1.481 0.817 1.276 19176
101 1 17 "Average Difference" CB 15 11.974 -7.070 10.004 19176
102 1 17 "Average Difference" HN 16 0.361 0.052 0.369 19176
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19176
104 1 18 "Average Difference" HA 17 0.251 -0.039 0.256 19176
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19176
106 1 18 "Average Difference" CA 16 1.515 0.704 1.385 19176
107 1 18 "Average Difference" CB 15 12.392 -7.197 10.442 19176
108 1 18 "Average Difference" HN 16 0.395 0.030 0.406 19176
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19176
110 1 19 "Average Difference" HA 17 0.319 -0.133 0.298 19176
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19176
112 1 19 "Average Difference" CA 16 1.688 0.846 1.508 19176
113 1 19 "Average Difference" CB 15 12.184 -7.294 10.102 19176
114 1 19 "Average Difference" HN 16 0.317 0.059 0.322 19176
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19176
116 1 20 "Average Difference" HA 17 0.196 -0.053 0.194 19176
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19176
118 1 20 "Average Difference" CA 16 1.461 0.710 1.319 19176
119 1 20 "Average Difference" CB 15 12.022 -7.116 10.030 19176
120 1 20 "Average Difference" HN 16 0.397 0.032 0.408 19176
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 19176
_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 PHE HA H 2 4.880 4.880 4.856 0.024 19176
2 1 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.088 -0.171 19176
3 1 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.549 -0.777 19176
4 1 . 1 1 2 2 PHE H H 2 7.941 7.941 7.884 0.057 19176
5 1 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.284 0.062 19176
6 1 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.407 -1.945 19176
7 1 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.941 18.141 19176
8 1 . 1 1 3 3 CYS H H 3 8.708 8.708 8.249 0.459 19176
9 1 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.701 -0.118 19176
10 1 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.719 0.352 19176
11 1 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.004 -0.689 19176
12 1 . 1 1 4 4 ARG H H 4 8.617 8.617 9.049 -0.432 19176
13 1 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.098 0.356 19176
14 1 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.110 -2.531 19176
15 1 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.311 19.599 19176
16 1 . 1 1 5 5 CYS H H 5 9.031 9.031 8.617 0.414 19176
17 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.856 -0.178 19176
18 1 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.952 0.605 19176
19 1 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.859 -1.606 19176
20 1 . 1 1 6 6 LEU H H 6 8.684 8.684 9.223 -0.539 19176
21 1 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.263 0.201 19176
22 1 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.920 -2.364 19176
23 1 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.983 19.740 19176
24 1 . 1 1 7 7 CYS H H 7 9.033 9.033 8.783 0.251 19176
25 1 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.545 -0.035 19176
26 1 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.933 0.620 19176
27 1 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.509 0.781 19176
28 1 . 1 1 8 8 ARG H H 8 8.554 8.554 9.036 -0.482 19176
29 1 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.022 -0.111 19176
30 1 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.883 0.366 19176
31 1 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.680 -0.400 19176
32 1 . 1 1 9 9 ARG H H 9 9.370 9.370 9.323 0.047 19176
33 1 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.754 0.598 19176
34 1 . 1 1 10 10 GLY H H 10 8.603 8.603 8.380 0.223 19176
35 1 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.821 0.141 19176
36 1 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.374 -0.967 19176
37 1 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.412 -1.291 19176
38 1 . 1 1 11 11 ASP H H 11 7.897 7.897 7.776 0.121 19176
39 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.407 -0.029 19176
40 1 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.846 -2.161 19176
41 1 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.969 18.943 19176
42 1 . 1 1 12 12 CYS H H 12 8.848 8.848 8.650 0.198 19176
43 1 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.734 -0.081 19176
44 1 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.044 0.024 19176
45 1 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.220 -0.956 19176
46 1 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176
47 1 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.017 0.471 19176
48 1 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.228 -2.567 19176
49 1 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.202 19.701 19176
50 1 . 1 1 14 14 CYS H H 14 9.037 9.037 8.604 0.433 19176
51 1 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.462 -0.077 19176
52 1 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.848 0.551 19176
53 1 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.459 -0.112 19176
54 1 . 1 1 15 15 ILE H H 15 8.761 8.761 9.172 -0.411 19176
55 1 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.537 0.036 19176
56 1 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.656 -2.155 19176
57 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.787 17.929 19176
58 1 . 1 1 16 16 CYS H H 16 9.090 9.090 8.870 0.220 19176
59 1 . 1 1 17 17 THR HA H 17 4.472 4.472 4.637 -0.165 19176
60 1 . 1 1 17 17 THR CA C 17 61.147 61.147 61.708 -0.561 19176
61 1 . 1 1 17 17 THR CB C 17 70.436 70.436 70.860 -0.424 19176
62 1 . 1 1 17 17 THR H H 17 8.784 8.784 9.216 -0.432 19176
stop_
save_