data_18913
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18913
_Entry.PDB_ID 2M2G
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 18913
_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 5 5 CYS HA H 5 5.532 5.532 5.280 0.252 18913
2 1 1 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.753 -2.272 18913
3 1 1 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.864 20.270 18913
4 1 1 . 1 1 5 5 CYS H H 5 9.120 9.120 8.661 0.459 18913
5 1 1 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.441 -0.116 18913
6 1 1 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.228 0.499 18913
7 1 1 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.093 0.358 18913
8 1 1 . 1 1 6 6 VAL H H 6 8.677 8.677 9.237 -0.560 18913
9 1 1 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.534 0.058 18913
10 1 1 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.743 -2.382 18913
11 1 1 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.121 20.046 18913
12 1 1 . 1 1 7 7 CYS H H 7 9.146 9.146 8.936 0.210 18913
13 1 1 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.469 0.047 18913
14 1 1 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.283 -0.760 18913
15 1 1 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.861 -0.075 18913
16 1 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.251 -0.562 18913
17 1 1 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.035 -0.120 18913
18 1 1 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.389 0.532 18913
19 1 1 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.341 -0.213 18913
20 1 1 . 1 1 9 9 ARG H H 9 9.577 9.577 9.245 0.332 18913
21 1 1 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.934 0.294 18913
22 1 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.539 0.144 18913
23 1 1 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.316 -0.039 18913
24 1 1 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.840 -0.021 18913
25 1 1 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.831 0.521 18913
26 1 1 . 1 1 11 11 VAL H H 11 7.809 7.809 7.555 0.254 18913
27 1 1 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.163 0.266 18913
28 1 1 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.167 -2.794 18913
29 1 1 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.355 19.541 18913
30 1 1 . 1 1 12 12 CYS H H 12 9.112 9.112 9.095 0.017 18913
31 1 1 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.773 -0.103 18913
32 1 1 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.959 0.120 18913
33 1 1 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.512 -1.227 18913
34 1 1 . 1 1 13 13 ARG H H 13 8.718 8.718 9.264 -0.546 18913
35 1 1 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.926 0.633 18913
36 1 1 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.273 -3.747 18913
37 1 1 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.722 21.875 18913
38 1 1 . 1 1 14 14 CYS H H 14 9.138 9.138 8.920 0.218 18913
39 1 2 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.358 0.174 18913
40 1 2 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.614 -2.133 18913
41 1 2 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.654 19.480 18913
42 1 2 . 1 1 5 5 CYS H H 5 9.120 9.120 8.563 0.557 18913
43 1 2 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.434 -0.109 18913
44 1 2 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.012 0.715 18913
45 1 2 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.728 0.723 18913
46 1 2 . 1 1 6 6 VAL H H 6 8.677 8.677 9.296 -0.619 18913
47 1 2 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.442 0.150 18913
48 1 2 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.849 -2.488 18913
49 1 2 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.166 19.001 18913
50 1 2 . 1 1 7 7 CYS H H 7 9.146 9.146 8.821 0.325 18913
51 1 2 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.482 0.034 18913
52 1 2 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.900 -0.377 18913
53 1 2 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.064 -0.278 18913
54 1 2 . 1 1 8 8 ARG H H 8 8.689 8.689 9.147 -0.458 18913
55 1 2 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.048 -0.133 18913
56 1 2 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.245 -0.324 18913
57 1 2 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.780 -0.652 18913
58 1 2 . 1 1 9 9 ARG H H 9 9.577 9.577 9.256 0.321 18913
59 1 2 . 1 1 10 10 GLY CA C 10 45.228 45.228 45.060 0.168 18913
60 1 2 . 1 1 10 10 GLY H H 10 8.683 8.683 8.315 0.368 18913
61 1 2 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.661 -0.384 18913
62 1 2 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.763 2.056 18913
63 1 2 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.966 -1.614 18913
64 1 2 . 1 1 11 11 VAL H H 11 7.809 7.809 7.679 0.130 18913
65 1 2 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.174 0.255 18913
66 1 2 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.250 -2.877 18913
67 1 2 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.150 18.745 18913
68 1 2 . 1 1 12 12 CYS H H 12 9.112 9.112 8.515 0.597 18913
69 1 2 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.794 -0.124 18913
70 1 2 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.865 0.214 18913
71 1 2 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.360 -1.075 18913
72 1 2 . 1 1 13 13 ARG H H 13 8.718 8.718 9.198 -0.480 18913
73 1 2 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.939 0.620 18913
74 1 2 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.471 -2.945 18913
75 1 2 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.834 21.763 18913
76 1 2 . 1 1 14 14 CYS H H 14 9.138 9.138 8.934 0.204 18913
77 1 3 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.180 0.352 18913
78 1 3 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.584 -2.103 18913
79 1 3 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.008 20.126 18913
80 1 3 . 1 1 5 5 CYS H H 5 9.120 9.120 8.500 0.620 18913
81 1 3 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.353 -0.028 18913
82 1 3 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.451 0.276 18913
83 1 3 . 1 1 6 6 VAL CB C 6 35.451 35.451 33.892 1.559 18913
84 1 3 . 1 1 6 6 VAL H H 6 8.677 8.677 9.202 -0.525 18913
85 1 3 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.530 0.062 18913
86 1 3 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.753 -2.392 18913
87 1 3 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.684 20.483 18913
88 1 3 . 1 1 7 7 CYS H H 7 9.146 9.146 8.924 0.222 18913
89 1 3 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.505 0.011 18913
90 1 3 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.090 -0.567 18913
91 1 3 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.204 -0.418 18913
92 1 3 . 1 1 8 8 ARG H H 8 8.689 8.689 9.218 -0.529 18913
93 1 3 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.077 -0.162 18913
94 1 3 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.927 -0.006 18913
95 1 3 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.807 -0.679 18913
96 1 3 . 1 1 9 9 ARG H H 9 9.577 9.577 9.296 0.281 18913
97 1 3 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.992 0.236 18913
98 1 3 . 1 1 10 10 GLY H H 10 8.683 8.683 8.392 0.291 18913
99 1 3 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.294 -0.017 18913
100 1 3 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.083 0.736 18913
101 1 3 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.337 1.015 18913
102 1 3 . 1 1 11 11 VAL H H 11 7.809 7.809 7.600 0.209 18913
103 1 3 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.153 0.276 18913
104 1 3 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.220 -2.847 18913
105 1 3 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.504 19.391 18913
106 1 3 . 1 1 12 12 CYS H H 12 9.112 9.112 9.045 0.067 18913
107 1 3 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.773 -0.103 18913
108 1 3 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.826 0.253 18913
109 1 3 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.417 -1.132 18913
110 1 3 . 1 1 13 13 ARG H H 13 8.718 8.718 9.138 -0.420 18913
111 1 3 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.680 0.879 18913
112 1 3 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.009 -3.483 18913
113 1 3 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.719 21.878 18913
114 1 3 . 1 1 14 14 CYS H H 14 9.138 9.138 8.929 0.209 18913
115 1 4 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.219 0.313 18913
116 1 4 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.729 -2.248 18913
117 1 4 . 1 1 5 5 CYS CB C 5 48.134 48.134 29.210 18.924 18913
118 1 4 . 1 1 5 5 CYS H H 5 9.120 9.120 8.629 0.491 18913
119 1 4 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.430 -0.105 18913
120 1 4 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.454 0.273 18913
121 1 4 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.230 0.222 18913
122 1 4 . 1 1 6 6 VAL H H 6 8.677 8.677 9.069 -0.392 18913
123 1 4 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.377 0.215 18913
124 1 4 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.964 -2.603 18913
125 1 4 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.772 19.395 18913
126 1 4 . 1 1 7 7 CYS H H 7 9.146 9.146 8.828 0.318 18913
127 1 4 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.519 -0.003 18913
128 1 4 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.047 0.475 18913
129 1 4 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.281 0.505 18913
130 1 4 . 1 1 8 8 ARG H H 8 8.689 8.689 9.224 -0.535 18913
131 1 4 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.018 -0.103 18913
132 1 4 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.085 -0.164 18913
133 1 4 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.942 -0.814 18913
134 1 4 . 1 1 9 9 ARG H H 9 9.577 9.577 9.315 0.262 18913
135 1 4 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.692 0.536 18913
136 1 4 . 1 1 10 10 GLY H H 10 8.683 8.683 8.349 0.334 18913
137 1 4 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.639 -0.362 18913
138 1 4 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.524 1.295 18913
139 1 4 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.369 -1.017 18913
140 1 4 . 1 1 11 11 VAL H H 11 7.809 7.809 7.568 0.241 18913
141 1 4 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.045 0.384 18913
142 1 4 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.464 -3.091 18913
143 1 4 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.700 18.195 18913
144 1 4 . 1 1 12 12 CYS H H 12 9.112 9.112 8.501 0.611 18913
145 1 4 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.721 -0.051 18913
146 1 4 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.072 1.007 18913
147 1 4 . 1 1 13 13 ARG CB C 13 32.285 32.285 30.876 1.409 18913
148 1 4 . 1 1 13 13 ARG H H 13 8.718 8.718 9.123 -0.405 18913
149 1 4 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.947 0.612 18913
150 1 4 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.080 -3.554 18913
151 1 4 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.447 21.150 18913
152 1 4 . 1 1 14 14 CYS H H 14 9.138 9.138 8.936 0.202 18913
153 1 5 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.230 0.302 18913
154 1 5 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.145 -1.664 18913
155 1 5 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.863 19.271 18913
156 1 5 . 1 1 5 5 CYS H H 5 9.120 9.120 8.603 0.517 18913
157 1 5 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.478 -0.153 18913
158 1 5 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.263 0.464 18913
159 1 5 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.459 -0.008 18913
160 1 5 . 1 1 6 6 VAL H H 6 8.677 8.677 8.991 -0.314 18913
161 1 5 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.433 0.159 18913
162 1 5 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.693 -2.332 18913
163 1 5 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.316 18.851 18913
164 1 5 . 1 1 7 7 CYS H H 7 9.146 9.146 8.469 0.677 18913
165 1 5 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.528 -0.012 18913
166 1 5 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.268 0.255 18913
167 1 5 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.585 0.201 18913
168 1 5 . 1 1 8 8 ARG H H 8 8.689 8.689 9.202 -0.513 18913
169 1 5 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.028 -0.113 18913
170 1 5 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.543 0.378 18913
171 1 5 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.207 -1.079 18913
172 1 5 . 1 1 9 9 ARG H H 9 9.577 9.577 9.161 0.416 18913
173 1 5 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.997 0.231 18913
174 1 5 . 1 1 10 10 GLY H H 10 8.683 8.683 8.250 0.433 18913
175 1 5 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.218 0.059 18913
176 1 5 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.529 0.290 18913
177 1 5 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.083 0.269 18913
178 1 5 . 1 1 11 11 VAL H H 11 7.809 7.809 7.559 0.250 18913
179 1 5 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.123 0.306 18913
180 1 5 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.279 -2.905 18913
181 1 5 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.047 18.849 18913
182 1 5 . 1 1 12 12 CYS H H 12 9.112 9.112 9.035 0.077 18913
183 1 5 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.731 -0.061 18913
184 1 5 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.282 -0.204 18913
185 1 5 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.773 -0.488 18913
186 1 5 . 1 1 13 13 ARG H H 13 8.718 8.718 9.297 -0.579 18913
187 1 5 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.672 0.887 18913
188 1 5 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.308 -3.782 18913
189 1 5 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.261 21.337 18913
190 1 5 . 1 1 14 14 CYS H H 14 9.138 9.138 9.028 0.110 18913
191 1 6 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.254 0.278 18913
192 1 6 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.531 -2.050 18913
193 1 6 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.856 20.278 18913
194 1 6 . 1 1 5 5 CYS H H 5 9.120 9.120 8.574 0.546 18913
195 1 6 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.580 -0.255 18913
196 1 6 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.023 0.704 18913
197 1 6 . 1 1 6 6 VAL CB C 6 35.451 35.451 36.228 -0.777 18913
198 1 6 . 1 1 6 6 VAL H H 6 8.677 8.677 9.079 -0.402 18913
199 1 6 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.592 -0.000 18913
200 1 6 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.635 -2.274 18913
201 1 6 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.893 20.273 18913
202 1 6 . 1 1 7 7 CYS H H 7 9.146 9.146 8.783 0.363 18913
203 1 6 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.538 -0.022 18913
204 1 6 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.123 -0.600 18913
205 1 6 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.346 -0.560 18913
206 1 6 . 1 1 8 8 ARG H H 8 8.689 8.689 9.215 -0.526 18913
207 1 6 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.076 -0.161 18913
208 1 6 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.140 -0.219 18913
209 1 6 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.011 -0.883 18913
210 1 6 . 1 1 9 9 ARG H H 9 9.577 9.577 9.284 0.293 18913
211 1 6 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.749 0.479 18913
212 1 6 . 1 1 10 10 GLY H H 10 8.683 8.683 8.320 0.363 18913
213 1 6 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.264 0.013 18913
214 1 6 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.373 0.445 18913
215 1 6 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.400 -0.048 18913
216 1 6 . 1 1 11 11 VAL H H 11 7.809 7.809 7.737 0.072 18913
217 1 6 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.272 0.157 18913
218 1 6 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.050 -2.677 18913
219 1 6 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.611 19.284 18913
220 1 6 . 1 1 12 12 CYS H H 12 9.112 9.112 9.022 0.090 18913
221 1 6 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.710 -0.040 18913
222 1 6 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.708 -0.629 18913
223 1 6 . 1 1 13 13 ARG CB C 13 32.285 32.285 34.291 -2.006 18913
224 1 6 . 1 1 13 13 ARG H H 13 8.718 8.718 9.279 -0.561 18913
225 1 6 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.578 0.981 18913
226 1 6 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.025 -3.499 18913
227 1 6 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.488 22.109 18913
228 1 6 . 1 1 14 14 CYS H H 14 9.138 9.138 8.849 0.289 18913
229 1 7 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.270 0.262 18913
230 1 7 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.577 -2.096 18913
231 1 7 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.330 19.804 18913
232 1 7 . 1 1 5 5 CYS H H 5 9.120 9.120 8.481 0.639 18913
233 1 7 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.403 -0.078 18913
234 1 7 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.344 0.383 18913
235 1 7 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.645 -0.194 18913
236 1 7 . 1 1 6 6 VAL H H 6 8.677 8.677 9.145 -0.468 18913
237 1 7 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.500 0.092 18913
238 1 7 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.729 -2.368 18913
239 1 7 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.590 19.577 18913
240 1 7 . 1 1 7 7 CYS H H 7 9.146 9.146 8.788 0.358 18913
241 1 7 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.492 0.024 18913
242 1 7 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.006 -0.483 18913
243 1 7 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.911 -0.125 18913
244 1 7 . 1 1 8 8 ARG H H 8 8.689 8.689 9.068 -0.379 18913
245 1 7 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.030 -0.115 18913
246 1 7 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.502 -0.581 18913
247 1 7 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.936 -0.807 18913
248 1 7 . 1 1 9 9 ARG H H 9 9.577 9.577 9.225 0.352 18913
249 1 7 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.779 0.449 18913
250 1 7 . 1 1 10 10 GLY H H 10 8.683 8.683 8.169 0.514 18913
251 1 7 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.613 -0.336 18913
252 1 7 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.630 2.188 18913
253 1 7 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.044 -0.692 18913
254 1 7 . 1 1 11 11 VAL H H 11 7.809 7.809 7.803 0.006 18913
255 1 7 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.376 0.053 18913
256 1 7 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.339 -2.966 18913
257 1 7 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.567 18.328 18913
258 1 7 . 1 1 12 12 CYS H H 12 9.112 9.112 8.698 0.414 18913
259 1 7 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.754 -0.084 18913
260 1 7 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.078 1.002 18913
261 1 7 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.414 -0.129 18913
262 1 7 . 1 1 13 13 ARG H H 13 8.718 8.718 9.333 -0.615 18913
263 1 7 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.824 0.735 18913
264 1 7 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.669 -3.143 18913
265 1 7 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.957 21.640 18913
266 1 7 . 1 1 14 14 CYS H H 14 9.138 9.138 8.938 0.200 18913
267 1 8 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.048 0.484 18913
268 1 8 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.606 -2.125 18913
269 1 8 . 1 1 5 5 CYS CB C 5 48.134 48.134 29.377 18.757 18913
270 1 8 . 1 1 5 5 CYS H H 5 9.120 9.120 8.531 0.589 18913
271 1 8 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.355 -0.030 18913
272 1 8 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.316 0.411 18913
273 1 8 . 1 1 6 6 VAL CB C 6 35.451 35.451 32.458 2.993 18913
274 1 8 . 1 1 6 6 VAL H H 6 8.677 8.677 9.158 -0.481 18913
275 1 8 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.596 -0.004 18913
276 1 8 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.663 -2.302 18913
277 1 8 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.548 18.619 18913
278 1 8 . 1 1 7 7 CYS H H 7 9.146 9.146 8.949 0.197 18913
279 1 8 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.633 -0.117 18913
280 1 8 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.461 0.062 18913
281 1 8 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.266 0.520 18913
282 1 8 . 1 1 8 8 ARG H H 8 8.689 8.689 9.145 -0.456 18913
283 1 8 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.023 -0.108 18913
284 1 8 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.304 -0.383 18913
285 1 8 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.570 -0.442 18913
286 1 8 . 1 1 9 9 ARG H H 9 9.577 9.577 9.279 0.298 18913
287 1 8 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.775 0.453 18913
288 1 8 . 1 1 10 10 GLY H H 10 8.683 8.683 8.164 0.519 18913
289 1 8 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.473 -0.196 18913
290 1 8 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.956 0.863 18913
291 1 8 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.811 -1.459 18913
292 1 8 . 1 1 11 11 VAL H H 11 7.809 7.809 7.664 0.145 18913
293 1 8 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.535 -0.106 18913
294 1 8 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.665 -2.292 18913
295 1 8 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.077 16.818 18913
296 1 8 . 1 1 12 12 CYS H H 12 9.112 9.112 8.646 0.466 18913
297 1 8 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.746 -0.076 18913
298 1 8 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.530 -0.451 18913
299 1 8 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.958 -1.673 18913
300 1 8 . 1 1 13 13 ARG H H 13 8.718 8.718 9.074 -0.356 18913
301 1 8 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.904 0.655 18913
302 1 8 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.740 -3.214 18913
303 1 8 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.748 21.849 18913
304 1 8 . 1 1 14 14 CYS H H 14 9.138 9.138 8.907 0.231 18913
305 1 9 . 1 1 5 5 CYS HA H 5 5.532 5.532 4.817 0.715 18913
306 1 9 . 1 1 5 5 CYS CA C 5 55.481 55.481 58.090 -2.609 18913
307 1 9 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.464 19.670 18913
308 1 9 . 1 1 5 5 CYS H H 5 9.120 9.120 8.687 0.433 18913
309 1 9 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.463 -0.138 18913
310 1 9 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.218 0.509 18913
311 1 9 . 1 1 6 6 VAL CB C 6 35.451 35.451 33.901 1.550 18913
312 1 9 . 1 1 6 6 VAL H H 6 8.677 8.677 9.179 -0.502 18913
313 1 9 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.315 0.277 18913
314 1 9 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.873 -2.512 18913
315 1 9 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.002 19.166 18913
316 1 9 . 1 1 7 7 CYS H H 7 9.146 9.146 8.839 0.307 18913
317 1 9 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.468 0.048 18913
318 1 9 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.265 0.258 18913
319 1 9 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.075 0.711 18913
320 1 9 . 1 1 8 8 ARG H H 8 8.689 8.689 8.894 -0.205 18913
321 1 9 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.080 -0.165 18913
322 1 9 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.012 -0.091 18913
323 1 9 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.403 -0.275 18913
324 1 9 . 1 1 9 9 ARG H H 9 9.577 9.577 9.177 0.400 18913
325 1 9 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.947 0.281 18913
326 1 9 . 1 1 10 10 GLY H H 10 8.683 8.683 8.268 0.415 18913
327 1 9 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.347 -0.070 18913
328 1 9 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.765 1.054 18913
329 1 9 . 1 1 11 11 VAL CB C 11 33.352 33.352 35.171 -1.819 18913
330 1 9 . 1 1 11 11 VAL H H 11 7.809 7.809 7.601 0.208 18913
331 1 9 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.133 0.296 18913
332 1 9 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.215 -2.842 18913
333 1 9 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.915 18.980 18913
334 1 9 . 1 1 12 12 CYS H H 12 9.112 9.112 8.824 0.288 18913
335 1 9 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.741 -0.071 18913
336 1 9 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.495 -0.416 18913
337 1 9 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.755 -1.470 18913
338 1 9 . 1 1 13 13 ARG H H 13 8.718 8.718 9.139 -0.421 18913
339 1 9 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.930 0.629 18913
340 1 9 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.794 -3.268 18913
341 1 9 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.198 21.399 18913
342 1 9 . 1 1 14 14 CYS H H 14 9.138 9.138 8.845 0.293 18913
343 1 10 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.331 0.201 18913
344 1 10 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.442 -1.961 18913
345 1 10 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.918 19.216 18913
346 1 10 . 1 1 5 5 CYS H H 5 9.120 9.120 8.625 0.495 18913
347 1 10 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.569 -0.244 18913
348 1 10 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.794 0.933 18913
349 1 10 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.690 -0.239 18913
350 1 10 . 1 1 6 6 VAL H H 6 8.677 8.677 9.170 -0.493 18913
351 1 10 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.396 0.196 18913
352 1 10 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.525 -2.164 18913
353 1 10 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.706 19.461 18913
354 1 10 . 1 1 7 7 CYS H H 7 9.146 9.146 8.555 0.591 18913
355 1 10 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.563 -0.047 18913
356 1 10 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.661 -0.138 18913
357 1 10 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.635 0.151 18913
358 1 10 . 1 1 8 8 ARG H H 8 8.689 8.689 9.189 -0.500 18913
359 1 10 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.058 -0.143 18913
360 1 10 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.872 0.049 18913
361 1 10 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.261 -1.133 18913
362 1 10 . 1 1 9 9 ARG H H 9 9.577 9.577 9.289 0.288 18913
363 1 10 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.791 0.437 18913
364 1 10 . 1 1 10 10 GLY H H 10 8.683 8.683 8.156 0.527 18913
365 1 10 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.335 -0.058 18913
366 1 10 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.987 0.832 18913
367 1 10 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.838 0.514 18913
368 1 10 . 1 1 11 11 VAL H H 11 7.809 7.809 7.765 0.044 18913
369 1 10 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.199 0.230 18913
370 1 10 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.288 -2.915 18913
371 1 10 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.394 18.501 18913
372 1 10 . 1 1 12 12 CYS H H 12 9.112 9.112 8.965 0.147 18913
373 1 10 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.749 -0.079 18913
374 1 10 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.287 0.792 18913
375 1 10 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.048 -0.763 18913
376 1 10 . 1 1 13 13 ARG H H 13 8.718 8.718 9.331 -0.613 18913
377 1 10 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.915 0.644 18913
378 1 10 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.924 -3.398 18913
379 1 10 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.106 21.491 18913
380 1 10 . 1 1 14 14 CYS H H 14 9.138 9.138 8.923 0.215 18913
381 1 11 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.386 0.146 18913
382 1 11 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.684 -2.204 18913
383 1 11 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.146 19.988 18913
384 1 11 . 1 1 5 5 CYS H H 5 9.120 9.120 8.495 0.625 18913
385 1 11 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.615 -0.290 18913
386 1 11 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.701 1.026 18913
387 1 11 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.982 -0.531 18913
388 1 11 . 1 1 6 6 VAL H H 6 8.677 8.677 9.224 -0.547 18913
389 1 11 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.534 0.058 18913
390 1 11 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.886 -2.525 18913
391 1 11 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.072 20.095 18913
392 1 11 . 1 1 7 7 CYS H H 7 9.146 9.146 8.735 0.411 18913
393 1 11 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.528 -0.012 18913
394 1 11 . 1 1 8 8 ARG CA C 8 55.523 55.523 54.909 0.614 18913
395 1 11 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.376 0.410 18913
396 1 11 . 1 1 8 8 ARG H H 8 8.689 8.689 9.249 -0.560 18913
397 1 11 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.021 -0.106 18913
398 1 11 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.521 0.400 18913
399 1 11 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.186 -1.058 18913
400 1 11 . 1 1 9 9 ARG H H 9 9.577 9.577 9.174 0.403 18913
401 1 11 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.971 0.257 18913
402 1 11 . 1 1 10 10 GLY H H 10 8.683 8.683 8.269 0.414 18913
403 1 11 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.302 -0.025 18913
404 1 11 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.259 0.560 18913
405 1 11 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.948 0.404 18913
406 1 11 . 1 1 11 11 VAL H H 11 7.809 7.809 7.619 0.190 18913
407 1 11 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.225 0.204 18913
408 1 11 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.211 -2.838 18913
409 1 11 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.904 18.991 18913
410 1 11 . 1 1 12 12 CYS H H 12 9.112 9.112 8.934 0.178 18913
411 1 11 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.746 -0.076 18913
412 1 11 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.176 0.903 18913
413 1 11 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.424 -0.139 18913
414 1 11 . 1 1 13 13 ARG H H 13 8.718 8.718 9.261 -0.543 18913
415 1 11 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.973 0.586 18913
416 1 11 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.598 -3.072 18913
417 1 11 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.240 21.357 18913
418 1 11 . 1 1 14 14 CYS H H 14 9.138 9.138 8.899 0.239 18913
419 1 12 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.366 0.166 18913
420 1 12 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.710 -2.229 18913
421 1 12 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.176 19.958 18913
422 1 12 . 1 1 5 5 CYS H H 5 9.120 9.120 8.530 0.590 18913
423 1 12 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.519 -0.194 18913
424 1 12 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.248 0.479 18913
425 1 12 . 1 1 6 6 VAL CB C 6 35.451 35.451 36.441 -0.991 18913
426 1 12 . 1 1 6 6 VAL H H 6 8.677 8.677 9.127 -0.450 18913
427 1 12 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.538 0.054 18913
428 1 12 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.738 -2.377 18913
429 1 12 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.894 20.273 18913
430 1 12 . 1 1 7 7 CYS H H 7 9.146 9.146 8.781 0.365 18913
431 1 12 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.502 0.014 18913
432 1 12 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.248 -0.725 18913
433 1 12 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.417 -0.631 18913
434 1 12 . 1 1 8 8 ARG H H 8 8.689 8.689 9.237 -0.548 18913
435 1 12 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.053 -0.138 18913
436 1 12 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.598 0.323 18913
437 1 12 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.749 -0.621 18913
438 1 12 . 1 1 9 9 ARG H H 9 9.577 9.577 9.144 0.433 18913
439 1 12 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.744 0.484 18913
440 1 12 . 1 1 10 10 GLY H H 10 8.683 8.683 8.207 0.476 18913
441 1 12 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.467 -0.190 18913
442 1 12 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.954 0.865 18913
443 1 12 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.797 -1.445 18913
444 1 12 . 1 1 11 11 VAL H H 11 7.809 7.809 7.630 0.179 18913
445 1 12 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.419 0.010 18913
446 1 12 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.780 -2.407 18913
447 1 12 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.009 17.886 18913
448 1 12 . 1 1 12 12 CYS H H 12 9.112 9.112 8.714 0.398 18913
449 1 12 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.785 -0.115 18913
450 1 12 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.262 -0.183 18913
451 1 12 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.956 -1.671 18913
452 1 12 . 1 1 13 13 ARG H H 13 8.718 8.718 9.319 -0.601 18913
453 1 12 . 1 1 14 14 CYS HA H 14 5.559 5.559 5.020 0.539 18913
454 1 12 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.760 -3.234 18913
455 1 12 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.873 21.724 18913
456 1 12 . 1 1 14 14 CYS H H 14 9.138 9.138 8.874 0.264 18913
457 1 13 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.244 0.288 18913
458 1 13 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.691 -2.210 18913
459 1 13 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.665 19.469 18913
460 1 13 . 1 1 5 5 CYS H H 5 9.120 9.120 8.660 0.460 18913
461 1 13 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.408 -0.083 18913
462 1 13 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.999 0.728 18913
463 1 13 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.438 0.013 18913
464 1 13 . 1 1 6 6 VAL H H 6 8.677 8.677 9.065 -0.388 18913
465 1 13 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.560 0.032 18913
466 1 13 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.171 -1.810 18913
467 1 13 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.041 20.126 18913
468 1 13 . 1 1 7 7 CYS H H 7 9.146 9.146 8.696 0.450 18913
469 1 13 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.621 -0.105 18913
470 1 13 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.101 0.422 18913
471 1 13 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.400 0.386 18913
472 1 13 . 1 1 8 8 ARG H H 8 8.689 8.689 9.154 -0.465 18913
473 1 13 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.026 -0.111 18913
474 1 13 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.266 -0.345 18913
475 1 13 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.520 -0.392 18913
476 1 13 . 1 1 9 9 ARG H H 9 9.577 9.577 9.291 0.286 18913
477 1 13 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.919 0.309 18913
478 1 13 . 1 1 10 10 GLY H H 10 8.683 8.683 8.192 0.491 18913
479 1 13 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.307 -0.030 18913
480 1 13 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.897 0.922 18913
481 1 13 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.686 0.666 18913
482 1 13 . 1 1 11 11 VAL H H 11 7.809 7.809 7.766 0.043 18913
483 1 13 . 1 1 12 12 CYS HA H 12 5.429 5.429 4.912 0.517 18913
484 1 13 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.563 -3.190 18913
485 1 13 . 1 1 12 12 CYS CB C 12 46.895 46.895 26.947 19.948 18913
486 1 13 . 1 1 12 12 CYS H H 12 9.112 9.112 9.072 0.040 18913
487 1 13 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.750 -0.080 18913
488 1 13 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.898 0.181 18913
489 1 13 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.107 -0.822 18913
490 1 13 . 1 1 13 13 ARG H H 13 8.718 8.718 9.238 -0.520 18913
491 1 13 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.884 0.675 18913
492 1 13 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.699 -3.173 18913
493 1 13 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.165 21.432 18913
494 1 13 . 1 1 14 14 CYS H H 14 9.138 9.138 8.895 0.243 18913
495 1 14 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.268 0.264 18913
496 1 14 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.518 -2.037 18913
497 1 14 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.258 19.877 18913
498 1 14 . 1 1 5 5 CYS H H 5 9.120 9.120 8.537 0.583 18913
499 1 14 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.391 -0.066 18913
500 1 14 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.278 0.449 18913
501 1 14 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.333 1.119 18913
502 1 14 . 1 1 6 6 VAL H H 6 8.677 8.677 9.233 -0.556 18913
503 1 14 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.433 0.159 18913
504 1 14 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.807 -2.446 18913
505 1 14 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.630 20.538 18913
506 1 14 . 1 1 7 7 CYS H H 7 9.146 9.146 8.943 0.203 18913
507 1 14 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.491 0.025 18913
508 1 14 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.168 -0.645 18913
509 1 14 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.025 -0.239 18913
510 1 14 . 1 1 8 8 ARG H H 8 8.689 8.689 9.196 -0.507 18913
511 1 14 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.067 -0.152 18913
512 1 14 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.394 0.527 18913
513 1 14 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.535 -0.407 18913
514 1 14 . 1 1 9 9 ARG H H 9 9.577 9.577 9.166 0.411 18913
515 1 14 . 1 1 10 10 GLY CA C 10 45.228 45.228 45.019 0.209 18913
516 1 14 . 1 1 10 10 GLY H H 10 8.683 8.683 8.239 0.444 18913
517 1 14 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.303 -0.026 18913
518 1 14 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.751 0.068 18913
519 1 14 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.010 0.342 18913
520 1 14 . 1 1 11 11 VAL H H 11 7.809 7.809 7.529 0.280 18913
521 1 14 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.078 0.351 18913
522 1 14 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.334 -2.961 18913
523 1 14 . 1 1 12 12 CYS CB C 12 46.895 46.895 26.790 20.105 18913
524 1 14 . 1 1 12 12 CYS H H 12 9.112 9.112 9.066 0.046 18913
525 1 14 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.767 -0.097 18913
526 1 14 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.886 0.193 18913
527 1 14 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.331 -1.046 18913
528 1 14 . 1 1 13 13 ARG H H 13 8.718 8.718 9.224 -0.506 18913
529 1 14 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.861 0.698 18913
530 1 14 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.609 -3.083 18913
531 1 14 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.881 21.716 18913
532 1 14 . 1 1 14 14 CYS H H 14 9.138 9.138 8.907 0.231 18913
533 1 15 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.168 0.364 18913
534 1 15 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.597 -2.116 18913
535 1 15 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.788 19.346 18913
536 1 15 . 1 1 5 5 CYS H H 5 9.120 9.120 8.500 0.620 18913
537 1 15 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.422 -0.097 18913
538 1 15 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.016 0.711 18913
539 1 15 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.555 0.896 18913
540 1 15 . 1 1 6 6 VAL H H 6 8.677 8.677 9.212 -0.535 18913
541 1 15 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.434 0.158 18913
542 1 15 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.954 -2.593 18913
543 1 15 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.215 19.952 18913
544 1 15 . 1 1 7 7 CYS H H 7 9.146 9.146 8.886 0.260 18913
545 1 15 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.520 -0.004 18913
546 1 15 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.170 -0.647 18913
547 1 15 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.385 -0.599 18913
548 1 15 . 1 1 8 8 ARG H H 8 8.689 8.689 9.304 -0.615 18913
549 1 15 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.050 -0.135 18913
550 1 15 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.656 0.265 18913
551 1 15 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.817 -0.689 18913
552 1 15 . 1 1 9 9 ARG H H 9 9.577 9.577 9.170 0.407 18913
553 1 15 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.621 0.607 18913
554 1 15 . 1 1 10 10 GLY H H 10 8.683 8.683 8.131 0.552 18913
555 1 15 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.497 -0.220 18913
556 1 15 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.924 0.895 18913
557 1 15 . 1 1 11 11 VAL CB C 11 33.352 33.352 35.038 -1.686 18913
558 1 15 . 1 1 11 11 VAL H H 11 7.809 7.809 7.664 0.145 18913
559 1 15 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.291 0.138 18913
560 1 15 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.514 -2.141 18913
561 1 15 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.364 19.531 18913
562 1 15 . 1 1 12 12 CYS H H 12 9.112 9.112 8.617 0.495 18913
563 1 15 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.744 -0.074 18913
564 1 15 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.879 0.200 18913
565 1 15 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.398 -0.113 18913
566 1 15 . 1 1 13 13 ARG H H 13 8.718 8.718 9.266 -0.548 18913
567 1 15 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.616 0.943 18913
568 1 15 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.298 -3.772 18913
569 1 15 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.840 21.758 18913
570 1 15 . 1 1 14 14 CYS H H 14 9.138 9.138 8.921 0.217 18913
571 1 16 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.285 0.247 18913
572 1 16 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.909 -2.428 18913
573 1 16 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.905 20.229 18913
574 1 16 . 1 1 5 5 CYS H H 5 9.120 9.120 8.565 0.555 18913
575 1 16 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.540 -0.215 18913
576 1 16 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.759 0.968 18913
577 1 16 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.879 -0.428 18913
578 1 16 . 1 1 6 6 VAL H H 6 8.677 8.677 9.267 -0.590 18913
579 1 16 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.425 0.167 18913
580 1 16 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.656 -2.295 18913
581 1 16 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.375 18.792 18913
582 1 16 . 1 1 7 7 CYS H H 7 9.146 9.146 8.768 0.378 18913
583 1 16 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.650 -0.134 18913
584 1 16 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.275 0.248 18913
585 1 16 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.078 0.708 18913
586 1 16 . 1 1 8 8 ARG H H 8 8.689 8.689 9.190 -0.501 18913
587 1 16 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.008 -0.093 18913
588 1 16 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.581 0.340 18913
589 1 16 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.611 -0.483 18913
590 1 16 . 1 1 9 9 ARG H H 9 9.577 9.577 9.233 0.344 18913
591 1 16 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.776 0.452 18913
592 1 16 . 1 1 10 10 GLY H H 10 8.683 8.683 8.040 0.643 18913
593 1 16 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.314 -0.037 18913
594 1 16 . 1 1 11 11 VAL CA C 11 61.819 61.819 62.097 -0.278 18913
595 1 16 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.608 0.744 18913
596 1 16 . 1 1 11 11 VAL H H 11 7.809 7.809 7.807 0.002 18913
597 1 16 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.476 -0.047 18913
598 1 16 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.295 -1.922 18913
599 1 16 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.734 16.161 18913
600 1 16 . 1 1 12 12 CYS H H 12 9.112 9.112 8.807 0.305 18913
601 1 16 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.733 -0.063 18913
602 1 16 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.649 -0.570 18913
603 1 16 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.463 -1.178 18913
604 1 16 . 1 1 13 13 ARG H H 13 8.718 8.718 9.244 -0.526 18913
605 1 16 . 1 1 14 14 CYS HA H 14 5.559 5.559 5.174 0.385 18913
606 1 16 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.155 -2.629 18913
607 1 16 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.045 21.552 18913
608 1 16 . 1 1 14 14 CYS H H 14 9.138 9.138 8.797 0.341 18913
609 1 17 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.232 0.300 18913
610 1 17 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.583 -2.102 18913
611 1 17 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.304 19.830 18913
612 1 17 . 1 1 5 5 CYS H H 5 9.120 9.120 8.506 0.614 18913
613 1 17 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.374 -0.049 18913
614 1 17 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.637 0.090 18913
615 1 17 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.075 1.376 18913
616 1 17 . 1 1 6 6 VAL H H 6 8.677 8.677 9.209 -0.532 18913
617 1 17 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.528 0.064 18913
618 1 17 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.498 -2.138 18913
619 1 17 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.729 18.438 18913
620 1 17 . 1 1 7 7 CYS H H 7 9.146 9.146 8.765 0.381 18913
621 1 17 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.439 0.077 18913
622 1 17 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.120 -0.597 18913
623 1 17 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.715 0.071 18913
624 1 17 . 1 1 8 8 ARG H H 8 8.689 8.689 9.081 -0.392 18913
625 1 17 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.055 -0.140 18913
626 1 17 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.850 0.071 18913
627 1 17 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.344 -0.216 18913
628 1 17 . 1 1 9 9 ARG H H 9 9.577 9.577 9.114 0.463 18913
629 1 17 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.806 0.422 18913
630 1 17 . 1 1 10 10 GLY H H 10 8.683 8.683 8.382 0.301 18913
631 1 17 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.668 -0.391 18913
632 1 17 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.880 1.939 18913
633 1 17 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.816 -1.464 18913
634 1 17 . 1 1 11 11 VAL H H 11 7.809 7.809 7.637 0.172 18913
635 1 17 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.406 0.023 18913
636 1 17 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.179 -2.806 18913
637 1 17 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.254 17.641 18913
638 1 17 . 1 1 12 12 CYS H H 12 9.112 9.112 8.550 0.562 18913
639 1 17 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.792 -0.122 18913
640 1 17 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.857 0.222 18913
641 1 17 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.968 -0.683 18913
642 1 17 . 1 1 13 13 ARG H H 13 8.718 8.718 9.215 -0.497 18913
643 1 17 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.762 0.797 18913
644 1 17 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.767 -3.241 18913
645 1 17 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.667 21.930 18913
646 1 17 . 1 1 14 14 CYS H H 14 9.138 9.138 8.921 0.217 18913
647 1 18 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.219 0.313 18913
648 1 18 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.593 -2.112 18913
649 1 18 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.236 19.898 18913
650 1 18 . 1 1 5 5 CYS H H 5 9.120 9.120 8.608 0.512 18913
651 1 18 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.436 -0.111 18913
652 1 18 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.317 0.410 18913
653 1 18 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.633 -0.182 18913
654 1 18 . 1 1 6 6 VAL H H 6 8.677 8.677 9.134 -0.457 18913
655 1 18 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.625 -0.033 18913
656 1 18 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.756 -2.395 18913
657 1 18 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.558 18.609 18913
658 1 18 . 1 1 7 7 CYS H H 7 9.146 9.146 8.867 0.279 18913
659 1 18 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.668 -0.152 18913
660 1 18 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.145 0.378 18913
661 1 18 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.631 0.155 18913
662 1 18 . 1 1 8 8 ARG H H 8 8.689 8.689 9.304 -0.615 18913
663 1 18 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.018 -0.103 18913
664 1 18 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.589 0.332 18913
665 1 18 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.947 -0.819 18913
666 1 18 . 1 1 9 9 ARG H H 9 9.577 9.577 9.285 0.292 18913
667 1 18 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.828 0.400 18913
668 1 18 . 1 1 10 10 GLY H H 10 8.683 8.683 8.193 0.490 18913
669 1 18 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.315 -0.038 18913
670 1 18 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.319 0.500 18913
671 1 18 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.141 -0.789 18913
672 1 18 . 1 1 11 11 VAL H H 11 7.809 7.809 7.788 0.021 18913
673 1 18 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.456 -0.027 18913
674 1 18 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.847 -2.474 18913
675 1 18 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.134 16.761 18913
676 1 18 . 1 1 12 12 CYS H H 12 9.112 9.112 8.747 0.365 18913
677 1 18 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.703 -0.033 18913
678 1 18 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.781 0.298 18913
679 1 18 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.945 -0.660 18913
680 1 18 . 1 1 13 13 ARG H H 13 8.718 8.718 9.346 -0.628 18913
681 1 18 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.922 0.637 18913
682 1 18 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.914 -3.388 18913
683 1 18 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.168 21.429 18913
684 1 18 . 1 1 14 14 CYS H H 14 9.138 9.138 8.878 0.260 18913
685 1 19 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.327 0.205 18913
686 1 19 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.565 -2.084 18913
687 1 19 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.592 20.542 18913
688 1 19 . 1 1 5 5 CYS H H 5 9.120 9.120 8.583 0.537 18913
689 1 19 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.440 -0.115 18913
690 1 19 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.182 0.545 18913
691 1 19 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.852 -0.401 18913
692 1 19 . 1 1 6 6 VAL H H 6 8.677 8.677 9.216 -0.539 18913
693 1 19 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.573 0.019 18913
694 1 19 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.804 -2.443 18913
695 1 19 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.946 20.221 18913
696 1 19 . 1 1 7 7 CYS H H 7 9.146 9.146 8.814 0.332 18913
697 1 19 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.439 0.077 18913
698 1 19 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.094 -0.571 18913
699 1 19 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.695 0.091 18913
700 1 19 . 1 1 8 8 ARG H H 8 8.689 8.689 8.984 -0.295 18913
701 1 19 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.078 -0.163 18913
702 1 19 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.326 -0.405 18913
703 1 19 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.312 -0.184 18913
704 1 19 . 1 1 9 9 ARG H H 9 9.577 9.577 9.175 0.402 18913
705 1 19 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.826 0.402 18913
706 1 19 . 1 1 10 10 GLY H H 10 8.683 8.683 8.271 0.412 18913
707 1 19 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.684 -0.407 18913
708 1 19 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.721 2.098 18913
709 1 19 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.784 -1.432 18913
710 1 19 . 1 1 11 11 VAL H H 11 7.809 7.809 7.707 0.102 18913
711 1 19 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.539 -0.110 18913
712 1 19 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.016 -2.643 18913
713 1 19 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.509 18.386 18913
714 1 19 . 1 1 12 12 CYS H H 12 9.112 9.112 8.433 0.679 18913
715 1 19 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.787 -0.117 18913
716 1 19 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.161 -0.082 18913
717 1 19 . 1 1 13 13 ARG CB C 13 32.285 32.285 34.398 -2.113 18913
718 1 19 . 1 1 13 13 ARG H H 13 8.718 8.718 9.290 -0.572 18913
719 1 19 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.938 0.621 18913
720 1 19 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.934 -3.408 18913
721 1 19 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.581 22.016 18913
722 1 19 . 1 1 14 14 CYS H H 14 9.138 9.138 8.826 0.312 18913
723 1 20 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.381 0.151 18913
724 1 20 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.459 -1.978 18913
725 1 20 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.963 20.171 18913
726 1 20 . 1 1 5 5 CYS H H 5 9.120 9.120 8.714 0.406 18913
727 1 20 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.595 -0.270 18913
728 1 20 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.936 0.791 18913
729 1 20 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.616 -0.165 18913
730 1 20 . 1 1 6 6 VAL H H 6 8.677 8.677 9.237 -0.560 18913
731 1 20 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.529 0.063 18913
732 1 20 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.741 -2.380 18913
733 1 20 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.787 18.380 18913
734 1 20 . 1 1 7 7 CYS H H 7 9.146 9.146 8.479 0.667 18913
735 1 20 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.552 -0.036 18913
736 1 20 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.093 0.430 18913
737 1 20 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.699 0.087 18913
738 1 20 . 1 1 8 8 ARG H H 8 8.689 8.689 9.253 -0.564 18913
739 1 20 . 1 1 9 9 ARG HA H 9 3.915 3.915 3.994 -0.079 18913
740 1 20 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.662 0.259 18913
741 1 20 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.159 -1.031 18913
742 1 20 . 1 1 9 9 ARG H H 9 9.577 9.577 9.191 0.386 18913
743 1 20 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.934 0.293 18913
744 1 20 . 1 1 10 10 GLY H H 10 8.683 8.683 8.214 0.469 18913
745 1 20 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.221 0.056 18913
746 1 20 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.763 0.056 18913
747 1 20 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.184 0.169 18913
748 1 20 . 1 1 11 11 VAL H H 11 7.809 7.809 7.741 0.068 18913
749 1 20 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.340 0.089 18913
750 1 20 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.826 -2.453 18913
751 1 20 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.077 17.818 18913
752 1 20 . 1 1 12 12 CYS H H 12 9.112 9.112 8.978 0.134 18913
753 1 20 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.816 -0.146 18913
754 1 20 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.819 0.260 18913
755 1 20 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.723 -0.438 18913
756 1 20 . 1 1 13 13 ARG H H 13 8.718 8.718 9.287 -0.569 18913
757 1 20 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.916 0.643 18913
758 1 20 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.542 -3.016 18913
759 1 20 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.474 22.123 18913
760 1 20 . 1 1 14 14 CYS H H 14 9.138 9.138 8.859 0.279 18913
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 18913
2 1 1 "Average Difference" HA 11 0.300 -0.144 0.276 18913
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18913
4 1 1 "Average Difference" CA 10 1.841 1.053 1.592 18913
5 1 1 "Average Difference" CB 9 13.642 -9.010 10.865 18913
6 1 1 "Average Difference" HN 10 0.378 0.003 0.398 18913
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18913
8 1 2 "Average Difference" HA 11 0.300 -0.091 0.300 18913
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18913
10 1 2 "Average Difference" CA 10 1.810 0.799 1.711 18913
11 1 2 "Average Difference" CB 9 13.209 -8.455 10.764 18913
12 1 2 "Average Difference" HN 10 0.435 -0.094 0.448 18913
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18913
14 1 3 "Average Difference" HA 11 0.350 -0.168 0.322 18913
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18913
16 1 3 "Average Difference" CA 10 1.773 0.990 1.551 18913
17 1 3 "Average Difference" CB 9 13.681 -9.136 10.802 18913
18 1 3 "Average Difference" HN 10 0.377 -0.043 0.395 18913
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18913
20 1 4 "Average Difference" HA 11 0.321 -0.131 0.307 18913
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18913
22 1 4 "Average Difference" CA 10 1.932 0.807 1.850 18913
23 1 4 "Average Difference" CB 9 12.981 -8.663 10.254 18913
24 1 4 "Average Difference" HN 10 0.400 -0.113 0.404 18913
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18913
26 1 5 "Average Difference" HA 11 0.356 -0.181 0.321 18913
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18913
28 1 5 "Average Difference" CA 10 1.776 0.927 1.597 18913
29 1 5 "Average Difference" CB 9 13.076 -8.578 10.467 18913
30 1 5 "Average Difference" HN 10 0.432 -0.107 0.441 18913
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18913
32 1 6 "Average Difference" HA 11 0.368 -0.139 0.357 18913
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18913
34 1 6 "Average Difference" CA 10 1.747 1.032 1.485 18913
35 1 6 "Average Difference" CB 9 13.698 -8.630 11.282 18913
36 1 6 "Average Difference" HN 10 0.387 -0.053 0.404 18913
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18913
38 1 7 "Average Difference" HA 11 0.308 -0.095 0.308 18913
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18913
40 1 7 "Average Difference" CA 10 1.881 0.762 1.813 18913
41 1 7 "Average Difference" CB 9 13.254 -8.600 10.696 18913
42 1 7 "Average Difference" HN 10 0.433 -0.102 0.444 18913
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18913
44 1 8 "Average Difference" HA 11 0.310 -0.096 0.310 18913
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18913
46 1 8 "Average Difference" CA 10 1.639 0.898 1.446 18913
47 1 8 "Average Difference" CB 9 12.794 -8.442 10.196 18913
48 1 8 "Average Difference" HN 10 0.400 -0.115 0.404 18913
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18913
50 1 9 "Average Difference" HA 11 0.367 -0.194 0.326 18913
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18913
52 1 9 "Average Difference" CA 10 1.832 0.964 1.643 18913
53 1 9 "Average Difference" CB 9 13.253 -8.657 10.644 18913
54 1 9 "Average Difference" HN 10 0.360 -0.121 0.357 18913
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18913
56 1 10 "Average Difference" HA 11 0.295 -0.114 0.285 18913
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18913
58 1 10 "Average Difference" CA 10 1.760 0.753 1.677 18913
59 1 10 "Average Difference" CB 9 13.142 -8.578 10.560 18913
60 1 10 "Average Difference" HN 10 0.435 -0.070 0.453 18913
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18913
62 1 11 "Average Difference" HA 11 0.279 -0.099 0.273 18913
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18913
64 1 11 "Average Difference" CA 10 1.775 0.688 1.725 18913
65 1 11 "Average Difference" CB 9 13.424 -8.835 10.720 18913
66 1 11 "Average Difference" HN 10 0.439 -0.081 0.455 18913
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18913
68 1 12 "Average Difference" HA 11 0.265 -0.068 0.269 18913
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18913
70 1 12 "Average Difference" CA 10 1.695 0.900 1.514 18913
71 1 12 "Average Difference" CB 9 13.366 -8.276 11.132 18913
72 1 12 "Average Difference" HN 10 0.449 -0.111 0.459 18913
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18913
74 1 13 "Average Difference" HA 11 0.327 -0.153 0.303 18913
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18913
76 1 13 "Average Difference" CA 10 1.738 0.817 1.617 18913
77 1 13 "Average Difference" CB 9 13.511 -8.981 10.706 18913
78 1 13 "Average Difference" HN 10 0.379 -0.064 0.394 18913
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18913
80 1 14 "Average Difference" HA 11 0.320 -0.166 0.288 18913
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18913
82 1 14 "Average Difference" CA 10 1.714 0.973 1.488 18913
83 1 14 "Average Difference" CB 9 13.725 -9.112 10.887 18913
84 1 14 "Average Difference" HN 10 0.413 -0.063 0.430 18913
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18913
86 1 15 "Average Difference" HA 11 0.364 -0.148 0.349 18913
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18913
88 1 15 "Average Difference" CA 10 1.795 0.859 1.661 18913
89 1 15 "Average Difference" CB 9 13.465 -8.711 10.891 18913
90 1 15 "Average Difference" HN 10 0.469 -0.100 0.483 18913
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18913
92 1 16 "Average Difference" HA 11 0.248 -0.076 0.248 18913
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18913
94 1 16 "Average Difference" CA 10 1.532 0.811 1.370 18913
95 1 16 "Average Difference" CB 9 12.871 -8.455 10.292 18913
96 1 16 "Average Difference" HN 10 0.455 -0.095 0.469 18913
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18913
98 1 17 "Average Difference" HA 11 0.343 -0.109 0.341 18913
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18913
100 1 17 "Average Difference" CA 10 1.781 0.814 1.670 18913
101 1 17 "Average Difference" CB 9 13.038 -8.547 10.443 18913
102 1 17 "Average Difference" HN 10 0.436 -0.129 0.439 18913
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18913
104 1 18 "Average Difference" HA 11 0.284 -0.094 0.281 18913
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18913
106 1 18 "Average Difference" CA 10 1.695 0.805 1.572 18913
107 1 18 "Average Difference" CB 9 12.842 -8.267 10.423 18913
108 1 18 "Average Difference" HN 10 0.430 -0.052 0.450 18913
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18913
110 1 19 "Average Difference" HA 11 0.299 -0.051 0.309 18913
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18913
112 1 19 "Average Difference" CA 10 1.851 0.859 1.728 18913
113 1 19 "Average Difference" CB 9 13.582 -8.569 11.177 18913
114 1 19 "Average Difference" HN 10 0.447 -0.137 0.449 18913
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18913
116 1 20 "Average Difference" HA 11 0.288 -0.100 0.283 18913
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18913
118 1 20 "Average Difference" CA 10 1.604 0.774 1.481 18913
119 1 20 "Average Difference" CB 9 13.136 -8.568 10.561 18913
120 1 20 "Average Difference" HN 10 0.451 -0.072 0.470 18913
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 18913
_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 5 5 CYS HA H 5 5.532 5.532 5.243 0.289 18913
2 1 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.619 -2.138 18913
3 1 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.379 19.755 18913
4 1 . 1 1 5 5 CYS H H 5 9.120 9.120 8.578 0.542 18913
5 1 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.462 -0.137 18913
6 1 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.159 0.568 18913
7 1 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.106 0.345 18913
8 1 . 1 1 6 6 VAL H H 6 8.677 8.677 9.173 -0.495 18913
9 1 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.495 0.097 18913
10 1 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.722 -2.361 18913
11 1 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.652 19.515 18913
12 1 . 1 1 7 7 CYS H H 7 9.146 9.146 8.781 0.365 18913
13 1 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.530 -0.014 18913
14 1 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.671 -0.148 18913
15 1 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.732 0.054 18913
16 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.175 -0.486 18913
17 1 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.042 -0.127 18913
18 1 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.873 0.048 18913
19 1 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.772 -0.644 18913
20 1 . 1 1 9 9 ARG H H 9 9.577 9.577 9.223 0.353 18913
21 1 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.858 0.370 18913
22 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.253 0.430 18913
23 1 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.412 -0.135 18913
24 1 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.951 0.868 18913
25 1 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.793 -0.441 18913
26 1 . 1 1 11 11 VAL H H 11 7.809 7.809 7.671 0.138 18913
27 1 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.266 0.163 18913
28 1 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.075 -2.702 18913
29 1 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.402 18.493 18913
30 1 . 1 1 12 12 CYS H H 12 9.112 9.112 8.813 0.299 18913
31 1 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.756 -0.086 18913
32 1 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.923 0.156 18913
33 1 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.156 -0.871 18913
34 1 . 1 1 13 13 ARG H H 13 8.718 8.718 9.243 -0.525 18913
35 1 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.869 0.690 18913
36 1 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.828 -3.302 18913
37 1 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.921 21.676 18913
38 1 . 1 1 14 14 CYS H H 14 9.138 9.138 8.899 0.239 18913
stop_
save_