data_19175
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19175
_Entry.PDB_ID 2M77
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 19175
_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 ASP HA H 2 5.006 5.006 4.956 0.050 19175
2 1 1 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.087 -1.256 19175
3 1 1 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.802 -3.707 19175
4 1 1 . 1 1 2 2 ASP H H 2 7.917 7.917 7.892 0.025 19175
5 1 1 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.076 0.344 19175
6 1 1 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.152 -2.342 19175
7 1 1 . 1 1 3 3 CYS CB C 3 47.083 47.083 28.351 18.732 19175
8 1 1 . 1 1 3 3 CYS H H 3 8.877 8.877 8.943 -0.066 19175
9 1 1 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.681 0.017 19175
10 1 1 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.289 -0.215 19175
11 1 1 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.009 -0.445 19175
12 1 1 . 1 1 4 4 ARG H H 4 8.714 8.714 9.244 -0.530 19175
13 1 1 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.428 0.121 19175
14 1 1 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.615 -2.062 19175
15 1 1 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.675 20.569 19175
16 1 1 . 1 1 5 5 CYS H H 5 9.066 9.066 8.445 0.621 19175
17 1 1 . 1 1 6 6 LEU HA H 6 4.720 4.720 5.070 -0.350 19175
18 1 1 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.604 0.884 19175
19 1 1 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.050 -0.527 19175
20 1 1 . 1 1 6 6 LEU H H 6 8.697 8.697 9.169 -0.472 19175
21 1 1 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.585 -0.041 19175
22 1 1 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.654 -2.227 19175
23 1 1 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.728 18.354 19175
24 1 1 . 1 1 7 7 CYS H H 7 9.116 9.116 8.513 0.603 19175
25 1 1 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.581 -0.046 19175
26 1 1 . 1 1 8 8 ARG CA C 8 55.650 55.650 54.487 1.163 19175
27 1 1 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.611 0.304 19175
28 1 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.116 -0.427 19175
29 1 1 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.046 -0.116 19175
30 1 1 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.356 0.682 19175
31 1 1 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.542 -0.402 19175
32 1 1 . 1 1 9 9 ARG H H 9 9.555 9.555 9.050 0.505 19175
33 1 1 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.973 0.411 19175
34 1 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.302 0.381 19175
35 1 1 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.260 0.061 19175
36 1 1 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.304 0.429 19175
37 1 1 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.677 -0.150 19175
38 1 1 . 1 1 11 11 VAL H H 11 7.804 7.804 7.702 0.102 19175
39 1 1 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.082 0.431 19175
40 1 1 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.259 -2.924 19175
41 1 1 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.560 20.450 19175
42 1 1 . 1 1 12 12 CYS H H 12 9.040 9.040 9.013 0.027 19175
43 1 1 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.752 -0.048 19175
44 1 1 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.021 0.035 19175
45 1 1 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.092 -0.650 19175
46 1 1 . 1 1 13 13 ARG H H 13 8.673 8.673 9.286 -0.613 19175
47 1 1 . 1 1 14 14 CYS HA H 14 5.568 5.568 4.922 0.646 19175
48 1 1 . 1 1 14 14 CYS CA C 14 55.443 55.443 59.215 -3.772 19175
49 1 1 . 1 1 14 14 CYS CB C 14 48.220 48.220 25.983 22.237 19175
50 1 1 . 1 1 14 14 CYS H H 14 9.104 9.104 8.959 0.145 19175
51 1 1 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.620 -0.205 19175
52 1 1 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.237 1.135 19175
53 1 1 . 1 1 15 15 ILE CB C 15 40.434 40.434 43.145 -2.711 19175
54 1 1 . 1 1 15 15 ILE H H 15 8.794 8.794 9.038 -0.244 19175
55 1 1 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.437 0.101 19175
56 1 1 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.720 -2.190 19175
57 1 1 . 1 1 16 16 CYS CB C 16 47.986 47.986 30.432 17.554 19175
58 1 1 . 1 1 16 16 CYS H H 16 9.127 9.127 8.642 0.485 19175
59 1 1 . 1 1 17 17 THR HA H 17 4.454 4.454 4.613 -0.159 19175
60 1 1 . 1 1 17 17 THR CA C 17 61.140 61.140 61.965 -0.825 19175
61 1 1 . 1 1 17 17 THR CB C 17 70.290 70.290 72.028 -1.738 19175
62 1 1 . 1 1 17 17 THR H H 17 8.616 8.616 9.244 -0.628 19175
63 1 2 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.919 0.087 19175
64 1 2 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.121 -1.290 19175
65 1 2 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.325 -3.230 19175
66 1 2 . 1 1 2 2 ASP H H 2 7.917 7.917 8.034 -0.117 19175
67 1 2 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.027 0.393 19175
68 1 2 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.279 -2.469 19175
69 1 2 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.194 19.889 19175
70 1 2 . 1 1 3 3 CYS H H 3 8.877 8.877 8.994 -0.117 19175
71 1 2 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.781 -0.083 19175
72 1 2 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.358 -0.284 19175
73 1 2 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.607 -2.043 19175
74 1 2 . 1 1 4 4 ARG H H 4 8.714 8.714 9.237 -0.523 19175
75 1 2 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.363 0.186 19175
76 1 2 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.885 -2.332 19175
77 1 2 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.493 20.751 19175
78 1 2 . 1 1 5 5 CYS H H 5 9.066 9.066 8.791 0.275 19175
79 1 2 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.919 -0.199 19175
80 1 2 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.833 0.655 19175
81 1 2 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.092 -1.569 19175
82 1 2 . 1 1 6 6 LEU H H 6 8.697 8.697 9.287 -0.590 19175
83 1 2 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.573 -0.029 19175
84 1 2 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.102 -1.675 19175
85 1 2 . 1 1 7 7 CYS CB C 7 48.082 48.082 30.686 17.396 19175
86 1 2 . 1 1 7 7 CYS H H 7 9.116 9.116 8.631 0.485 19175
87 1 2 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.480 0.055 19175
88 1 2 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.986 -0.336 19175
89 1 2 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.648 0.266 19175
90 1 2 . 1 1 8 8 ARG H H 8 8.689 8.689 8.901 -0.212 19175
91 1 2 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.081 -0.151 19175
92 1 2 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.207 -0.169 19175
93 1 2 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.289 -0.149 19175
94 1 2 . 1 1 9 9 ARG H H 9 9.555 9.555 9.223 0.332 19175
95 1 2 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.879 0.505 19175
96 1 2 . 1 1 10 10 GLY H H 10 8.683 8.683 8.165 0.518 19175
97 1 2 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.331 -0.010 19175
98 1 2 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.195 0.538 19175
99 1 2 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.246 0.281 19175
100 1 2 . 1 1 11 11 VAL H H 11 7.804 7.804 7.741 0.063 19175
101 1 2 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.270 0.243 19175
102 1 2 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.080 -2.745 19175
103 1 2 . 1 1 12 12 CYS CB C 12 48.010 48.010 28.282 19.728 19175
104 1 2 . 1 1 12 12 CYS H H 12 9.040 9.040 8.894 0.146 19175
105 1 2 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.877 -0.173 19175
106 1 2 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.275 0.781 19175
107 1 2 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.025 -0.584 19175
108 1 2 . 1 1 13 13 ARG H H 13 8.673 8.673 9.304 -0.631 19175
109 1 2 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.232 0.336 19175
110 1 2 . 1 1 14 14 CYS CA C 14 55.443 55.443 57.884 -2.441 19175
111 1 2 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.971 21.249 19175
112 1 2 . 1 1 14 14 CYS H H 14 9.104 9.104 8.833 0.271 19175
113 1 2 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.551 -0.136 19175
114 1 2 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.070 0.302 19175
115 1 2 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.775 -1.341 19175
116 1 2 . 1 1 15 15 ILE H H 15 8.794 8.794 9.340 -0.546 19175
117 1 2 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.521 0.017 19175
118 1 2 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.557 -2.027 19175
119 1 2 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.336 18.650 19175
120 1 2 . 1 1 16 16 CYS H H 16 9.127 9.127 8.519 0.608 19175
121 1 2 . 1 1 17 17 THR HA H 17 4.454 4.454 4.608 -0.154 19175
122 1 2 . 1 1 17 17 THR CA C 17 61.140 61.140 61.911 -0.771 19175
123 1 2 . 1 1 17 17 THR CB C 17 70.290 70.290 72.022 -1.732 19175
124 1 2 . 1 1 17 17 THR H H 17 8.616 8.616 9.151 -0.535 19175
125 1 3 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.955 0.051 19175
126 1 3 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.028 -1.197 19175
127 1 3 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.439 -4.344 19175
128 1 3 . 1 1 2 2 ASP H H 2 7.917 7.917 8.062 -0.145 19175
129 1 3 . 1 1 3 3 CYS HA H 3 5.420 5.420 4.998 0.422 19175
130 1 3 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.529 -2.719 19175
131 1 3 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.718 19.365 19175
132 1 3 . 1 1 3 3 CYS H H 3 8.877 8.877 8.960 -0.083 19175
133 1 3 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.742 -0.044 19175
134 1 3 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.602 -0.528 19175
135 1 3 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.178 -1.614 19175
136 1 3 . 1 1 4 4 ARG H H 4 8.714 8.714 9.247 -0.533 19175
137 1 3 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.167 0.382 19175
138 1 3 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.993 -2.440 19175
139 1 3 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.920 20.324 19175
140 1 3 . 1 1 5 5 CYS H H 5 9.066 9.066 8.543 0.523 19175
141 1 3 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.738 -0.018 19175
142 1 3 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.007 0.481 19175
143 1 3 . 1 1 6 6 LEU CB C 6 44.523 44.523 44.106 0.417 19175
144 1 3 . 1 1 6 6 LEU H H 6 8.697 8.697 9.284 -0.587 19175
145 1 3 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.531 0.013 19175
146 1 3 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.403 -1.976 19175
147 1 3 . 1 1 7 7 CYS CB C 7 48.082 48.082 28.999 19.083 19175
148 1 3 . 1 1 7 7 CYS H H 7 9.116 9.116 8.940 0.176 19175
149 1 3 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.612 -0.077 19175
150 1 3 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.225 0.425 19175
151 1 3 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.288 0.626 19175
152 1 3 . 1 1 8 8 ARG H H 8 8.689 8.689 9.230 -0.541 19175
153 1 3 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.032 -0.102 19175
154 1 3 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.236 -0.198 19175
155 1 3 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.611 -0.471 19175
156 1 3 . 1 1 9 9 ARG H H 9 9.555 9.555 9.280 0.275 19175
157 1 3 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.787 0.597 19175
158 1 3 . 1 1 10 10 GLY H H 10 8.683 8.683 8.164 0.519 19175
159 1 3 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.349 -0.028 19175
160 1 3 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.873 0.860 19175
161 1 3 . 1 1 11 11 VAL CB C 11 33.527 33.527 35.048 -1.521 19175
162 1 3 . 1 1 11 11 VAL H H 11 7.804 7.804 7.666 0.138 19175
163 1 3 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.158 0.355 19175
164 1 3 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.964 -2.629 19175
165 1 3 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.277 20.733 19175
166 1 3 . 1 1 12 12 CYS H H 12 9.040 9.040 8.926 0.114 19175
167 1 3 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.854 -0.150 19175
168 1 3 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.398 0.658 19175
169 1 3 . 1 1 13 13 ARG CB C 13 32.441 32.441 32.243 0.198 19175
170 1 3 . 1 1 13 13 ARG H H 13 8.673 8.673 9.154 -0.481 19175
171 1 3 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.060 0.508 19175
172 1 3 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.217 -2.774 19175
173 1 3 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.541 21.679 19175
174 1 3 . 1 1 14 14 CYS H H 14 9.104 9.104 8.920 0.184 19175
175 1 3 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.559 -0.144 19175
176 1 3 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.910 0.462 19175
177 1 3 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.400 -1.966 19175
178 1 3 . 1 1 15 15 ILE H H 15 8.794 8.794 9.152 -0.358 19175
179 1 3 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.508 0.030 19175
180 1 3 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.457 -1.927 19175
181 1 3 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.803 19.183 19175
182 1 3 . 1 1 16 16 CYS H H 16 9.127 9.127 8.669 0.458 19175
183 1 3 . 1 1 17 17 THR HA H 17 4.454 4.454 4.674 -0.220 19175
184 1 3 . 1 1 17 17 THR CA C 17 61.140 61.140 61.483 -0.343 19175
185 1 3 . 1 1 17 17 THR CB C 17 70.290 70.290 70.972 -0.682 19175
186 1 3 . 1 1 17 17 THR H H 17 8.616 8.616 9.145 -0.529 19175
187 1 4 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.963 0.043 19175
188 1 4 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.855 -1.024 19175
189 1 4 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.753 -3.658 19175
190 1 4 . 1 1 2 2 ASP H H 2 7.917 7.917 7.984 -0.067 19175
191 1 4 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.018 0.402 19175
192 1 4 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.386 -2.576 19175
193 1 4 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.118 19.965 19175
194 1 4 . 1 1 3 3 CYS H H 3 8.877 8.877 9.045 -0.168 19175
195 1 4 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.760 -0.062 19175
196 1 4 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.539 -0.465 19175
197 1 4 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.066 -1.502 19175
198 1 4 . 1 1 4 4 ARG H H 4 8.714 8.714 9.180 -0.466 19175
199 1 4 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.368 0.181 19175
200 1 4 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.805 -2.252 19175
201 1 4 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.936 20.308 19175
202 1 4 . 1 1 5 5 CYS H H 5 9.066 9.066 8.795 0.271 19175
203 1 4 . 1 1 6 6 LEU HA H 6 4.720 4.720 5.046 -0.326 19175
204 1 4 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.544 0.944 19175
205 1 4 . 1 1 6 6 LEU CB C 6 44.523 44.523 44.417 0.105 19175
206 1 4 . 1 1 6 6 LEU H H 6 8.697 8.697 9.083 -0.386 19175
207 1 4 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.566 -0.022 19175
208 1 4 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.724 -2.297 19175
209 1 4 . 1 1 7 7 CYS CB C 7 48.082 48.082 31.405 16.677 19175
210 1 4 . 1 1 7 7 CYS H H 7 9.116 9.116 8.587 0.529 19175
211 1 4 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.499 0.036 19175
212 1 4 . 1 1 8 8 ARG CA C 8 55.650 55.650 56.067 -0.417 19175
213 1 4 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.736 0.178 19175
214 1 4 . 1 1 8 8 ARG H H 8 8.689 8.689 8.946 -0.257 19175
215 1 4 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.047 -0.117 19175
216 1 4 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.435 -0.397 19175
217 1 4 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.930 -0.790 19175
218 1 4 . 1 1 9 9 ARG H H 9 9.555 9.555 9.246 0.309 19175
219 1 4 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.979 0.405 19175
220 1 4 . 1 1 10 10 GLY H H 10 8.683 8.683 8.130 0.553 19175
221 1 4 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.277 0.044 19175
222 1 4 . 1 1 11 11 VAL CA C 11 61.733 61.733 62.037 -0.304 19175
223 1 4 . 1 1 11 11 VAL CB C 11 33.527 33.527 32.795 0.732 19175
224 1 4 . 1 1 11 11 VAL H H 11 7.804 7.804 7.599 0.205 19175
225 1 4 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.268 0.245 19175
226 1 4 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.139 -2.804 19175
227 1 4 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.802 20.208 19175
228 1 4 . 1 1 12 12 CYS H H 12 9.040 9.040 8.990 0.050 19175
229 1 4 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.743 -0.039 19175
230 1 4 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.659 0.397 19175
231 1 4 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.525 -1.084 19175
232 1 4 . 1 1 13 13 ARG H H 13 8.673 8.673 9.208 -0.535 19175
233 1 4 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.017 0.551 19175
234 1 4 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.724 -3.281 19175
235 1 4 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.997 21.223 19175
236 1 4 . 1 1 14 14 CYS H H 14 9.104 9.104 8.904 0.200 19175
237 1 4 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.469 -0.054 19175
238 1 4 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.172 0.200 19175
239 1 4 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.897 -1.463 19175
240 1 4 . 1 1 15 15 ILE H H 15 8.794 8.794 9.254 -0.460 19175
241 1 4 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.314 0.224 19175
242 1 4 . 1 1 16 16 CYS CA C 16 55.530 55.530 58.047 -2.517 19175
243 1 4 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.353 19.633 19175
244 1 4 . 1 1 16 16 CYS H H 16 9.127 9.127 8.932 0.195 19175
245 1 4 . 1 1 17 17 THR HA H 17 4.454 4.454 4.687 -0.233 19175
246 1 4 . 1 1 17 17 THR CA C 17 61.140 61.140 61.568 -0.428 19175
247 1 4 . 1 1 17 17 THR CB C 17 70.290 70.290 70.973 -0.683 19175
248 1 4 . 1 1 17 17 THR H H 17 8.616 8.616 9.046 -0.430 19175
249 1 5 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.870 0.136 19175
250 1 5 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.507 -1.676 19175
251 1 5 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.291 -3.196 19175
252 1 5 . 1 1 2 2 ASP H H 2 7.917 7.917 8.004 -0.087 19175
253 1 5 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.276 0.144 19175
254 1 5 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.808 -1.998 19175
255 1 5 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.527 19.556 19175
256 1 5 . 1 1 3 3 CYS H H 3 8.877 8.877 8.892 -0.015 19175
257 1 5 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.889 -0.191 19175
258 1 5 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.447 0.627 19175
259 1 5 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.483 0.081 19175
260 1 5 . 1 1 4 4 ARG H H 4 8.714 8.714 9.249 -0.535 19175
261 1 5 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.401 0.148 19175
262 1 5 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.492 -1.939 19175
263 1 5 . 1 1 5 5 CYS CB C 5 48.244 48.244 29.128 19.116 19175
264 1 5 . 1 1 5 5 CYS H H 5 9.066 9.066 8.622 0.444 19175
265 1 5 . 1 1 6 6 LEU HA H 6 4.720 4.720 5.088 -0.368 19175
266 1 5 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.153 1.335 19175
267 1 5 . 1 1 6 6 LEU CB C 6 44.523 44.523 44.265 0.258 19175
268 1 5 . 1 1 6 6 LEU H H 6 8.697 8.697 9.172 -0.475 19175
269 1 5 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.561 -0.017 19175
270 1 5 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.608 -2.181 19175
271 1 5 . 1 1 7 7 CYS CB C 7 48.082 48.082 31.177 16.905 19175
272 1 5 . 1 1 7 7 CYS H H 7 9.116 9.116 8.490 0.626 19175
273 1 5 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.475 0.060 19175
274 1 5 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.067 0.583 19175
275 1 5 . 1 1 8 8 ARG CB C 8 32.914 32.914 31.951 0.963 19175
276 1 5 . 1 1 8 8 ARG H H 8 8.689 8.689 8.941 -0.252 19175
277 1 5 . 1 1 9 9 ARG HA H 9 3.930 3.930 3.992 -0.062 19175
278 1 5 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.808 0.230 19175
279 1 5 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.842 -0.702 19175
280 1 5 . 1 1 9 9 ARG H H 9 9.555 9.555 9.191 0.364 19175
281 1 5 . 1 1 10 10 GLY CA C 10 45.384 45.384 45.011 0.373 19175
282 1 5 . 1 1 10 10 GLY H H 10 8.683 8.683 8.270 0.413 19175
283 1 5 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.177 0.144 19175
284 1 5 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.680 0.053 19175
285 1 5 . 1 1 11 11 VAL CB C 11 33.527 33.527 32.856 0.671 19175
286 1 5 . 1 1 11 11 VAL H H 11 7.804 7.804 7.581 0.223 19175
287 1 5 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.256 0.257 19175
288 1 5 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.886 -2.551 19175
289 1 5 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.219 20.791 19175
290 1 5 . 1 1 12 12 CYS H H 12 9.040 9.040 8.965 0.075 19175
291 1 5 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.850 -0.146 19175
292 1 5 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.421 0.635 19175
293 1 5 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.014 -1.573 19175
294 1 5 . 1 1 13 13 ARG H H 13 8.673 8.673 9.303 -0.630 19175
295 1 5 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.265 0.303 19175
296 1 5 . 1 1 14 14 CYS CA C 14 55.443 55.443 57.651 -2.208 19175
297 1 5 . 1 1 14 14 CYS CB C 14 48.220 48.220 28.924 19.296 19175
298 1 5 . 1 1 14 14 CYS H H 14 9.104 9.104 8.641 0.463 19175
299 1 5 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.610 -0.195 19175
300 1 5 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.517 0.856 19175
301 1 5 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.512 -1.078 19175
302 1 5 . 1 1 15 15 ILE H H 15 8.794 8.794 9.259 -0.465 19175
303 1 5 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.501 0.037 19175
304 1 5 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.685 -2.155 19175
305 1 5 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.320 19.666 19175
306 1 5 . 1 1 16 16 CYS H H 16 9.127 9.127 8.551 0.576 19175
307 1 5 . 1 1 17 17 THR HA H 17 4.454 4.454 4.629 -0.175 19175
308 1 5 . 1 1 17 17 THR CA C 17 61.140 61.140 60.752 0.388 19175
309 1 5 . 1 1 17 17 THR CB C 17 70.290 70.290 70.935 -0.645 19175
310 1 5 . 1 1 17 17 THR H H 17 8.616 8.616 9.148 -0.532 19175
311 1 6 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.944 0.062 19175
312 1 6 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.812 -0.981 19175
313 1 6 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.143 -3.048 19175
314 1 6 . 1 1 2 2 ASP H H 2 7.917 7.917 7.918 -0.001 19175
315 1 6 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.127 0.293 19175
316 1 6 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.081 -2.271 19175
317 1 6 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.521 19.562 19175
318 1 6 . 1 1 3 3 CYS H H 3 8.877 8.877 8.978 -0.101 19175
319 1 6 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.798 -0.100 19175
320 1 6 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.766 0.308 19175
321 1 6 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.566 -0.002 19175
322 1 6 . 1 1 4 4 ARG H H 4 8.714 8.714 9.218 -0.504 19175
323 1 6 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.223 0.326 19175
324 1 6 . 1 1 5 5 CYS CA C 5 55.553 55.553 58.172 -2.619 19175
325 1 6 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.905 20.338 19175
326 1 6 . 1 1 5 5 CYS H H 5 9.066 9.066 8.808 0.258 19175
327 1 6 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.761 -0.041 19175
328 1 6 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.461 1.027 19175
329 1 6 . 1 1 6 6 LEU CB C 6 44.523 44.523 42.805 1.718 19175
330 1 6 . 1 1 6 6 LEU H H 6 8.697 8.697 9.151 -0.454 19175
331 1 6 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.561 -0.017 19175
332 1 6 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.215 -1.788 19175
333 1 6 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.435 18.647 19175
334 1 6 . 1 1 7 7 CYS H H 7 9.116 9.116 8.833 0.283 19175
335 1 6 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.432 0.103 19175
336 1 6 . 1 1 8 8 ARG CA C 8 55.650 55.650 56.337 -0.688 19175
337 1 6 . 1 1 8 8 ARG CB C 8 32.914 32.914 33.310 -0.396 19175
338 1 6 . 1 1 8 8 ARG H H 8 8.689 8.689 8.996 -0.307 19175
339 1 6 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.069 -0.139 19175
340 1 6 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.431 -0.393 19175
341 1 6 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.505 -0.365 19175
342 1 6 . 1 1 9 9 ARG H H 9 9.555 9.555 9.163 0.392 19175
343 1 6 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.598 0.786 19175
344 1 6 . 1 1 10 10 GLY H H 10 8.683 8.683 8.056 0.627 19175
345 1 6 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.469 -0.148 19175
346 1 6 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.498 1.235 19175
347 1 6 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.621 -1.095 19175
348 1 6 . 1 1 11 11 VAL H H 11 7.804 7.804 7.757 0.047 19175
349 1 6 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.940 0.573 19175
350 1 6 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.988 -2.653 19175
351 1 6 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.087 20.923 19175
352 1 6 . 1 1 12 12 CYS H H 12 9.040 9.040 8.924 0.116 19175
353 1 6 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.597 0.107 19175
354 1 6 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.766 0.291 19175
355 1 6 . 1 1 13 13 ARG CB C 13 32.441 32.441 30.629 1.812 19175
356 1 6 . 1 1 13 13 ARG H H 13 8.673 8.673 9.105 -0.432 19175
357 1 6 . 1 1 14 14 CYS HA H 14 5.568 5.568 4.930 0.638 19175
358 1 6 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.986 -3.543 19175
359 1 6 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.279 21.941 19175
360 1 6 . 1 1 14 14 CYS H H 14 9.104 9.104 8.974 0.130 19175
361 1 6 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.460 -0.045 19175
362 1 6 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.182 0.190 19175
363 1 6 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.806 -1.372 19175
364 1 6 . 1 1 15 15 ILE H H 15 8.794 8.794 9.218 -0.424 19175
365 1 6 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.238 0.300 19175
366 1 6 . 1 1 16 16 CYS CA C 16 55.530 55.530 58.038 -2.508 19175
367 1 6 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.599 19.387 19175
368 1 6 . 1 1 16 16 CYS H H 16 9.127 9.127 8.925 0.202 19175
369 1 6 . 1 1 17 17 THR HA H 17 4.454 4.454 4.640 -0.186 19175
370 1 6 . 1 1 17 17 THR CA C 17 61.140 61.140 61.680 -0.540 19175
371 1 6 . 1 1 17 17 THR CB C 17 70.290 70.290 70.915 -0.625 19175
372 1 6 . 1 1 17 17 THR H H 17 8.616 8.616 9.210 -0.594 19175
373 1 7 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.963 0.043 19175
374 1 7 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.885 -1.054 19175
375 1 7 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.477 -3.381 19175
376 1 7 . 1 1 2 2 ASP H H 2 7.917 7.917 8.015 -0.098 19175
377 1 7 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.014 0.406 19175
378 1 7 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.231 -2.421 19175
379 1 7 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.497 19.585 19175
380 1 7 . 1 1 3 3 CYS H H 3 8.877 8.877 9.020 -0.143 19175
381 1 7 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.720 -0.022 19175
382 1 7 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.717 -0.643 19175
383 1 7 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.418 -1.854 19175
384 1 7 . 1 1 4 4 ARG H H 4 8.714 8.714 9.292 -0.578 19175
385 1 7 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.296 0.253 19175
386 1 7 . 1 1 5 5 CYS CA C 5 55.553 55.553 58.002 -2.449 19175
387 1 7 . 1 1 5 5 CYS CB C 5 48.244 48.244 26.983 21.261 19175
388 1 7 . 1 1 5 5 CYS H H 5 9.066 9.066 8.796 0.270 19175
389 1 7 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.891 -0.171 19175
390 1 7 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.960 0.528 19175
391 1 7 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.412 -0.889 19175
392 1 7 . 1 1 6 6 LEU H H 6 8.697 8.697 9.308 -0.611 19175
393 1 7 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.644 -0.100 19175
394 1 7 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.060 -1.633 19175
395 1 7 . 1 1 7 7 CYS CB C 7 48.082 48.082 31.020 17.062 19175
396 1 7 . 1 1 7 7 CYS H H 7 9.116 9.116 8.664 0.452 19175
397 1 7 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.489 0.046 19175
398 1 7 . 1 1 8 8 ARG CA C 8 55.650 55.650 56.088 -0.438 19175
399 1 7 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.513 0.401 19175
400 1 7 . 1 1 8 8 ARG H H 8 8.689 8.689 8.943 -0.254 19175
401 1 7 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.044 -0.114 19175
402 1 7 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.268 -0.230 19175
403 1 7 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.590 -0.450 19175
404 1 7 . 1 1 9 9 ARG H H 9 9.555 9.555 9.182 0.373 19175
405 1 7 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.792 0.592 19175
406 1 7 . 1 1 10 10 GLY H H 10 8.683 8.683 8.364 0.319 19175
407 1 7 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.282 0.039 19175
408 1 7 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.365 0.367 19175
409 1 7 . 1 1 11 11 VAL CB C 11 33.527 33.527 32.045 1.482 19175
410 1 7 . 1 1 11 11 VAL H H 11 7.804 7.804 7.675 0.129 19175
411 1 7 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.101 0.412 19175
412 1 7 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.972 -2.637 19175
413 1 7 . 1 1 12 12 CYS CB C 12 48.010 48.010 28.572 19.438 19175
414 1 7 . 1 1 12 12 CYS H H 12 9.040 9.040 8.956 0.084 19175
415 1 7 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.763 -0.059 19175
416 1 7 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.810 0.246 19175
417 1 7 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.086 -1.645 19175
418 1 7 . 1 1 13 13 ARG H H 13 8.673 8.673 9.307 -0.634 19175
419 1 7 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.056 0.512 19175
420 1 7 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.362 -2.919 19175
421 1 7 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.477 21.743 19175
422 1 7 . 1 1 14 14 CYS H H 14 9.104 9.104 8.688 0.416 19175
423 1 7 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.657 -0.242 19175
424 1 7 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.939 0.433 19175
425 1 7 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.270 -1.836 19175
426 1 7 . 1 1 15 15 ILE H H 15 8.794 8.794 8.950 -0.156 19175
427 1 7 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.330 0.208 19175
428 1 7 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.799 -2.269 19175
429 1 7 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.357 18.629 19175
430 1 7 . 1 1 16 16 CYS H H 16 9.127 9.127 8.779 0.348 19175
431 1 7 . 1 1 17 17 THR HA H 17 4.454 4.454 4.615 -0.161 19175
432 1 7 . 1 1 17 17 THR CA C 17 61.140 61.140 61.633 -0.493 19175
433 1 7 . 1 1 17 17 THR CB C 17 70.290 70.290 71.559 -1.269 19175
434 1 7 . 1 1 17 17 THR H H 17 8.616 8.616 9.130 -0.514 19175
435 1 8 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.958 0.048 19175
436 1 8 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.699 -0.868 19175
437 1 8 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.646 -3.551 19175
438 1 8 . 1 1 2 2 ASP H H 2 7.917 7.917 7.933 -0.016 19175
439 1 8 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.044 0.376 19175
440 1 8 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.361 -2.551 19175
441 1 8 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.320 19.763 19175
442 1 8 . 1 1 3 3 CYS H H 3 8.877 8.877 8.998 -0.121 19175
443 1 8 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.699 -0.001 19175
444 1 8 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.822 0.252 19175
445 1 8 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.223 -0.659 19175
446 1 8 . 1 1 4 4 ARG H H 4 8.714 8.714 9.202 -0.488 19175
447 1 8 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.458 0.091 19175
448 1 8 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.823 -2.270 19175
449 1 8 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.828 20.416 19175
450 1 8 . 1 1 5 5 CYS H H 5 9.066 9.066 8.782 0.284 19175
451 1 8 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.811 -0.091 19175
452 1 8 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.237 0.251 19175
453 1 8 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.705 -1.182 19175
454 1 8 . 1 1 6 6 LEU H H 6 8.697 8.697 9.297 -0.600 19175
455 1 8 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.581 -0.037 19175
456 1 8 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.008 -1.581 19175
457 1 8 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.765 18.317 19175
458 1 8 . 1 1 7 7 CYS H H 7 9.116 9.116 8.685 0.431 19175
459 1 8 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.486 0.049 19175
460 1 8 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.931 -0.281 19175
461 1 8 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.818 0.096 19175
462 1 8 . 1 1 8 8 ARG H H 8 8.689 8.689 8.855 -0.166 19175
463 1 8 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.078 -0.148 19175
464 1 8 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.443 -0.405 19175
465 1 8 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.620 -0.480 19175
466 1 8 . 1 1 9 9 ARG H H 9 9.555 9.555 9.177 0.378 19175
467 1 8 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.681 0.703 19175
468 1 8 . 1 1 10 10 GLY H H 10 8.683 8.683 8.065 0.618 19175
469 1 8 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.497 -0.176 19175
470 1 8 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.342 1.391 19175
471 1 8 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.505 -0.979 19175
472 1 8 . 1 1 11 11 VAL H H 11 7.804 7.804 7.783 0.021 19175
473 1 8 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.911 0.602 19175
474 1 8 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.536 -3.201 19175
475 1 8 . 1 1 12 12 CYS CB C 12 48.010 48.010 26.708 21.302 19175
476 1 8 . 1 1 12 12 CYS H H 12 9.040 9.040 8.903 0.137 19175
477 1 8 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.735 -0.031 19175
478 1 8 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.529 0.527 19175
479 1 8 . 1 1 13 13 ARG CB C 13 32.441 32.441 32.950 -0.509 19175
480 1 8 . 1 1 13 13 ARG H H 13 8.673 8.673 9.205 -0.532 19175
481 1 8 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.141 0.427 19175
482 1 8 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.527 -3.084 19175
483 1 8 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.099 21.121 19175
484 1 8 . 1 1 14 14 CYS H H 14 9.104 9.104 8.866 0.238 19175
485 1 8 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.435 -0.020 19175
486 1 8 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.385 -0.013 19175
487 1 8 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.150 -0.716 19175
488 1 8 . 1 1 15 15 ILE H H 15 8.794 8.794 9.261 -0.467 19175
489 1 8 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.365 0.173 19175
490 1 8 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.842 -2.312 19175
491 1 8 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.115 18.871 19175
492 1 8 . 1 1 16 16 CYS H H 16 9.127 9.127 8.826 0.301 19175
493 1 8 . 1 1 17 17 THR HA H 17 4.454 4.454 4.674 -0.220 19175
494 1 8 . 1 1 17 17 THR CA C 17 61.140 61.140 61.769 -0.629 19175
495 1 8 . 1 1 17 17 THR CB C 17 70.290 70.290 71.665 -1.375 19175
496 1 8 . 1 1 17 17 THR H H 17 8.616 8.616 9.104 -0.488 19175
497 1 9 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.920 0.086 19175
498 1 9 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.535 -1.704 19175
499 1 9 . 1 1 2 2 ASP CB C 2 39.095 39.095 44.878 -5.783 19175
500 1 9 . 1 1 2 2 ASP H H 2 7.917 7.917 7.975 -0.058 19175
501 1 9 . 1 1 3 3 CYS HA H 3 5.420 5.420 4.986 0.434 19175
502 1 9 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.353 -1.544 19175
503 1 9 . 1 1 3 3 CYS CB C 3 47.083 47.083 30.263 16.820 19175
504 1 9 . 1 1 3 3 CYS H H 3 8.877 8.877 8.552 0.325 19175
505 1 9 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.730 -0.032 19175
506 1 9 . 1 1 4 4 ARG CA C 4 55.074 55.074 53.425 1.649 19175
507 1 9 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.460 0.104 19175
508 1 9 . 1 1 4 4 ARG H H 4 8.714 8.714 8.782 -0.068 19175
509 1 9 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.302 0.247 19175
510 1 9 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.878 -2.325 19175
511 1 9 . 1 1 5 5 CYS CB C 5 48.244 48.244 29.010 19.234 19175
512 1 9 . 1 1 5 5 CYS H H 5 9.066 9.066 8.765 0.301 19175
513 1 9 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.990 -0.270 19175
514 1 9 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.226 0.262 19175
515 1 9 . 1 1 6 6 LEU CB C 6 44.523 44.523 44.644 -0.121 19175
516 1 9 . 1 1 6 6 LEU H H 6 8.697 8.697 9.003 -0.306 19175
517 1 9 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.447 0.097 19175
518 1 9 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.853 -2.426 19175
519 1 9 . 1 1 7 7 CYS CB C 7 48.082 48.082 28.589 19.493 19175
520 1 9 . 1 1 7 7 CYS H H 7 9.116 9.116 8.518 0.598 19175
521 1 9 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.616 -0.081 19175
522 1 9 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.430 0.220 19175
523 1 9 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.343 0.571 19175
524 1 9 . 1 1 8 8 ARG H H 8 8.689 8.689 9.169 -0.480 19175
525 1 9 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.034 -0.104 19175
526 1 9 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.623 0.415 19175
527 1 9 . 1 1 9 9 ARG CB C 9 28.140 28.140 29.002 -0.862 19175
528 1 9 . 1 1 9 9 ARG H H 9 9.555 9.555 9.264 0.291 19175
529 1 9 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.812 0.572 19175
530 1 9 . 1 1 10 10 GLY H H 10 8.683 8.683 8.170 0.513 19175
531 1 9 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.352 -0.031 19175
532 1 9 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.861 0.872 19175
533 1 9 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.221 0.306 19175
534 1 9 . 1 1 11 11 VAL H H 11 7.804 7.804 7.695 0.109 19175
535 1 9 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.960 0.553 19175
536 1 9 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.172 -2.837 19175
537 1 9 . 1 1 12 12 CYS CB C 12 48.010 48.010 28.318 19.692 19175
538 1 9 . 1 1 12 12 CYS H H 12 9.040 9.040 8.883 0.157 19175
539 1 9 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.742 -0.038 19175
540 1 9 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.526 -0.470 19175
541 1 9 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.940 -1.499 19175
542 1 9 . 1 1 13 13 ARG H H 13 8.673 8.673 9.099 -0.426 19175
543 1 9 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.165 0.403 19175
544 1 9 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.325 -2.882 19175
545 1 9 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.766 21.454 19175
546 1 9 . 1 1 14 14 CYS H H 14 9.104 9.104 8.670 0.434 19175
547 1 9 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.530 -0.115 19175
548 1 9 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.197 0.175 19175
549 1 9 . 1 1 15 15 ILE CB C 15 40.434 40.434 40.974 -0.540 19175
550 1 9 . 1 1 15 15 ILE H H 15 8.794 8.794 9.161 -0.367 19175
551 1 9 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.060 0.478 19175
552 1 9 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.942 -2.412 19175
553 1 9 . 1 1 16 16 CYS CB C 16 47.986 47.986 27.845 20.141 19175
554 1 9 . 1 1 16 16 CYS H H 16 9.127 9.127 9.004 0.123 19175
555 1 9 . 1 1 17 17 THR HA H 17 4.454 4.454 4.604 -0.150 19175
556 1 9 . 1 1 17 17 THR CA C 17 61.140 61.140 61.935 -0.795 19175
557 1 9 . 1 1 17 17 THR CB C 17 70.290 70.290 71.845 -1.555 19175
558 1 9 . 1 1 17 17 THR H H 17 8.616 8.616 9.297 -0.681 19175
559 1 10 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.908 0.098 19175
560 1 10 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.052 -1.221 19175
561 1 10 . 1 1 2 2 ASP CB C 2 39.095 39.095 41.925 -2.830 19175
562 1 10 . 1 1 2 2 ASP H H 2 7.917 7.917 8.069 -0.152 19175
563 1 10 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.051 0.369 19175
564 1 10 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.393 -2.583 19175
565 1 10 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.311 19.772 19175
566 1 10 . 1 1 3 3 CYS H H 3 8.877 8.877 8.919 -0.042 19175
567 1 10 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.704 -0.006 19175
568 1 10 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.814 0.260 19175
569 1 10 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.239 -1.675 19175
570 1 10 . 1 1 4 4 ARG H H 4 8.714 8.714 9.245 -0.531 19175
571 1 10 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.444 0.105 19175
572 1 10 . 1 1 5 5 CYS CA C 5 55.553 55.553 58.316 -2.763 19175
573 1 10 . 1 1 5 5 CYS CB C 5 48.244 48.244 26.779 21.465 19175
574 1 10 . 1 1 5 5 CYS H H 5 9.066 9.066 8.777 0.289 19175
575 1 10 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.910 -0.190 19175
576 1 10 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.106 0.382 19175
577 1 10 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.157 -1.634 19175
578 1 10 . 1 1 6 6 LEU H H 6 8.697 8.697 9.203 -0.506 19175
579 1 10 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.532 0.012 19175
580 1 10 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.109 -1.682 19175
581 1 10 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.236 18.846 19175
582 1 10 . 1 1 7 7 CYS H H 7 9.116 9.116 8.563 0.553 19175
583 1 10 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.574 -0.039 19175
584 1 10 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.136 0.514 19175
585 1 10 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.070 0.844 19175
586 1 10 . 1 1 8 8 ARG H H 8 8.689 8.689 9.079 -0.390 19175
587 1 10 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.057 -0.127 19175
588 1 10 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.895 0.143 19175
589 1 10 . 1 1 9 9 ARG CB C 9 28.140 28.140 27.908 0.232 19175
590 1 10 . 1 1 9 9 ARG H H 9 9.555 9.555 9.251 0.304 19175
591 1 10 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.987 0.397 19175
592 1 10 . 1 1 10 10 GLY H H 10 8.683 8.683 8.212 0.471 19175
593 1 10 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.374 -0.053 19175
594 1 10 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.257 0.476 19175
595 1 10 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.089 -0.562 19175
596 1 10 . 1 1 11 11 VAL H H 11 7.804 7.804 7.551 0.253 19175
597 1 10 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.066 0.447 19175
598 1 10 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.996 -2.661 19175
599 1 10 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.183 20.827 19175
600 1 10 . 1 1 12 12 CYS H H 12 9.040 9.040 8.841 0.199 19175
601 1 10 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.769 -0.065 19175
602 1 10 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.290 0.766 19175
603 1 10 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.982 -1.541 19175
604 1 10 . 1 1 13 13 ARG H H 13 8.673 8.673 9.266 -0.593 19175
605 1 10 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.301 0.267 19175
606 1 10 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.239 -2.796 19175
607 1 10 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.375 21.845 19175
608 1 10 . 1 1 14 14 CYS H H 14 9.104 9.104 8.645 0.459 19175
609 1 10 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.495 -0.080 19175
610 1 10 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.162 0.210 19175
611 1 10 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.345 -1.911 19175
612 1 10 . 1 1 15 15 ILE H H 15 8.794 8.794 9.333 -0.539 19175
613 1 10 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.410 0.128 19175
614 1 10 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.936 -2.406 19175
615 1 10 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.119 18.867 19175
616 1 10 . 1 1 16 16 CYS H H 16 9.127 9.127 8.800 0.327 19175
617 1 10 . 1 1 17 17 THR HA H 17 4.454 4.454 4.609 -0.155 19175
618 1 10 . 1 1 17 17 THR CA C 17 61.140 61.140 61.476 -0.336 19175
619 1 10 . 1 1 17 17 THR CB C 17 70.290 70.290 70.443 -0.153 19175
620 1 10 . 1 1 17 17 THR H H 17 8.616 8.616 9.094 -0.478 19175
621 1 11 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.952 0.054 19175
622 1 11 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.014 -1.183 19175
623 1 11 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.778 -4.683 19175
624 1 11 . 1 1 2 2 ASP H H 2 7.917 7.917 7.885 0.032 19175
625 1 11 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.077 0.343 19175
626 1 11 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.340 -2.530 19175
627 1 11 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.517 19.566 19175
628 1 11 . 1 1 3 3 CYS H H 3 8.877 8.877 8.952 -0.075 19175
629 1 11 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.778 -0.080 19175
630 1 11 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.380 -0.306 19175
631 1 11 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.666 -1.101 19175
632 1 11 . 1 1 4 4 ARG H H 4 8.714 8.714 9.270 -0.556 19175
633 1 11 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.210 0.339 19175
634 1 11 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.591 -2.038 19175
635 1 11 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.887 20.357 19175
636 1 11 . 1 1 5 5 CYS H H 5 9.066 9.066 8.679 0.387 19175
637 1 11 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.893 -0.173 19175
638 1 11 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.194 0.294 19175
639 1 11 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.544 -1.021 19175
640 1 11 . 1 1 6 6 LEU H H 6 8.697 8.697 9.204 -0.507 19175
641 1 11 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.619 -0.075 19175
642 1 11 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.058 -1.631 19175
643 1 11 . 1 1 7 7 CYS CB C 7 48.082 48.082 30.005 18.077 19175
644 1 11 . 1 1 7 7 CYS H H 7 9.116 9.116 8.623 0.493 19175
645 1 11 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.595 -0.060 19175
646 1 11 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.224 0.426 19175
647 1 11 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.223 0.691 19175
648 1 11 . 1 1 8 8 ARG H H 8 8.689 8.689 9.173 -0.484 19175
649 1 11 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.027 -0.097 19175
650 1 11 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.977 0.061 19175
651 1 11 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.327 -0.187 19175
652 1 11 . 1 1 9 9 ARG H H 9 9.555 9.555 9.299 0.256 19175
653 1 11 . 1 1 10 10 GLY CA C 10 45.384 45.384 45.150 0.234 19175
654 1 11 . 1 1 10 10 GLY H H 10 8.683 8.683 8.283 0.400 19175
655 1 11 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.352 -0.031 19175
656 1 11 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.547 0.186 19175
657 1 11 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.757 -0.230 19175
658 1 11 . 1 1 11 11 VAL H H 11 7.804 7.804 7.542 0.262 19175
659 1 11 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.213 0.300 19175
660 1 11 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.886 -2.551 19175
661 1 11 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.619 20.392 19175
662 1 11 . 1 1 12 12 CYS H H 12 9.040 9.040 8.870 0.170 19175
663 1 11 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.828 -0.124 19175
664 1 11 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.079 -0.023 19175
665 1 11 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.810 -1.369 19175
666 1 11 . 1 1 13 13 ARG H H 13 8.673 8.673 9.279 -0.606 19175
667 1 11 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.178 0.390 19175
668 1 11 . 1 1 14 14 CYS CA C 14 55.443 55.443 57.793 -2.350 19175
669 1 11 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.238 20.982 19175
670 1 11 . 1 1 14 14 CYS H H 14 9.104 9.104 8.744 0.360 19175
671 1 11 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.689 -0.274 19175
672 1 11 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.014 0.358 19175
673 1 11 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.350 -0.916 19175
674 1 11 . 1 1 15 15 ILE H H 15 8.794 8.794 9.213 -0.419 19175
675 1 11 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.435 0.103 19175
676 1 11 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.282 -1.752 19175
677 1 11 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.611 19.375 19175
678 1 11 . 1 1 16 16 CYS H H 16 9.127 9.127 8.599 0.528 19175
679 1 11 . 1 1 17 17 THR HA H 17 4.454 4.454 4.686 -0.232 19175
680 1 11 . 1 1 17 17 THR CA C 17 61.140 61.140 61.416 -0.276 19175
681 1 11 . 1 1 17 17 THR CB C 17 70.290 70.290 71.047 -0.757 19175
682 1 11 . 1 1 17 17 THR H H 17 8.616 8.616 9.078 -0.462 19175
683 1 12 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.944 0.062 19175
684 1 12 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.025 -1.194 19175
685 1 12 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.743 -3.648 19175
686 1 12 . 1 1 2 2 ASP H H 2 7.917 7.917 7.968 -0.051 19175
687 1 12 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.096 0.324 19175
688 1 12 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.468 -2.658 19175
689 1 12 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.147 19.936 19175
690 1 12 . 1 1 3 3 CYS H H 3 8.877 8.877 8.937 -0.060 19175
691 1 12 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.731 -0.033 19175
692 1 12 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.734 0.340 19175
693 1 12 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.811 -1.247 19175
694 1 12 . 1 1 4 4 ARG H H 4 8.714 8.714 9.250 -0.536 19175
695 1 12 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.388 0.161 19175
696 1 12 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.953 -2.400 19175
697 1 12 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.415 20.829 19175
698 1 12 . 1 1 5 5 CYS H H 5 9.066 9.066 8.762 0.304 19175
699 1 12 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.840 -0.120 19175
700 1 12 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.093 0.396 19175
701 1 12 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.640 -1.117 19175
702 1 12 . 1 1 6 6 LEU H H 6 8.697 8.697 9.295 -0.598 19175
703 1 12 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.654 -0.110 19175
704 1 12 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.047 -1.620 19175
705 1 12 . 1 1 7 7 CYS CB C 7 48.082 48.082 30.038 18.044 19175
706 1 12 . 1 1 7 7 CYS H H 7 9.116 9.116 8.646 0.470 19175
707 1 12 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.591 -0.056 19175
708 1 12 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.068 0.582 19175
709 1 12 . 1 1 8 8 ARG CB C 8 32.914 32.914 31.872 1.042 19175
710 1 12 . 1 1 8 8 ARG H H 8 8.689 8.689 9.031 -0.342 19175
711 1 12 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.033 -0.103 19175
712 1 12 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.860 0.178 19175
713 1 12 . 1 1 9 9 ARG CB C 9 28.140 28.140 27.853 0.287 19175
714 1 12 . 1 1 9 9 ARG H H 9 9.555 9.555 9.222 0.333 19175
715 1 12 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.889 0.495 19175
716 1 12 . 1 1 10 10 GLY H H 10 8.683 8.683 8.171 0.512 19175
717 1 12 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.215 0.106 19175
718 1 12 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.712 0.021 19175
719 1 12 . 1 1 11 11 VAL CB C 11 33.527 33.527 31.852 1.675 19175
720 1 12 . 1 1 11 11 VAL H H 11 7.804 7.804 7.850 -0.046 19175
721 1 12 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.140 0.373 19175
722 1 12 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.240 -2.905 19175
723 1 12 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.711 20.299 19175
724 1 12 . 1 1 12 12 CYS H H 12 9.040 9.040 8.954 0.086 19175
725 1 12 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.771 -0.067 19175
726 1 12 . 1 1 13 13 ARG CA C 13 55.056 55.056 53.387 1.669 19175
727 1 12 . 1 1 13 13 ARG CB C 13 32.441 32.441 32.954 -0.513 19175
728 1 12 . 1 1 13 13 ARG H H 13 8.673 8.673 9.375 -0.702 19175
729 1 12 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.076 0.492 19175
730 1 12 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.345 -2.902 19175
731 1 12 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.620 20.600 19175
732 1 12 . 1 1 14 14 CYS H H 14 9.104 9.104 8.791 0.313 19175
733 1 12 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.626 -0.211 19175
734 1 12 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.481 0.891 19175
735 1 12 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.941 -1.507 19175
736 1 12 . 1 1 15 15 ILE H H 15 8.794 8.794 9.063 -0.269 19175
737 1 12 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.417 0.121 19175
738 1 12 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.559 -2.029 19175
739 1 12 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.464 19.522 19175
740 1 12 . 1 1 16 16 CYS H H 16 9.127 9.127 8.485 0.642 19175
741 1 12 . 1 1 17 17 THR HA H 17 4.454 4.454 4.641 -0.187 19175
742 1 12 . 1 1 17 17 THR CA C 17 61.140 61.140 61.467 -0.327 19175
743 1 12 . 1 1 17 17 THR CB C 17 70.290 70.290 71.854 -1.564 19175
744 1 12 . 1 1 17 17 THR H H 17 8.616 8.616 9.133 -0.517 19175
745 1 13 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.973 0.033 19175
746 1 13 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.984 -1.153 19175
747 1 13 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.680 -4.585 19175
748 1 13 . 1 1 2 2 ASP H H 2 7.917 7.917 7.905 0.012 19175
749 1 13 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.068 0.352 19175
750 1 13 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.140 -2.330 19175
751 1 13 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.631 19.452 19175
752 1 13 . 1 1 3 3 CYS H H 3 8.877 8.877 8.884 -0.007 19175
753 1 13 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.820 -0.122 19175
754 1 13 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.657 0.417 19175
755 1 13 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.536 0.028 19175
756 1 13 . 1 1 4 4 ARG H H 4 8.714 8.714 8.994 -0.280 19175
757 1 13 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.401 0.148 19175
758 1 13 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.545 -1.992 19175
759 1 13 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.861 20.383 19175
760 1 13 . 1 1 5 5 CYS H H 5 9.066 9.066 8.680 0.386 19175
761 1 13 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.862 -0.142 19175
762 1 13 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.891 0.597 19175
763 1 13 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.019 -1.496 19175
764 1 13 . 1 1 6 6 LEU H H 6 8.697 8.697 9.305 -0.608 19175
765 1 13 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.524 0.020 19175
766 1 13 . 1 1 7 7 CYS CA C 7 55.427 55.427 56.966 -1.539 19175
767 1 13 . 1 1 7 7 CYS CB C 7 48.082 48.082 28.831 19.251 19175
768 1 13 . 1 1 7 7 CYS H H 7 9.116 9.116 8.732 0.384 19175
769 1 13 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.574 -0.039 19175
770 1 13 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.651 -0.001 19175
771 1 13 . 1 1 8 8 ARG CB C 8 32.914 32.914 33.012 -0.098 19175
772 1 13 . 1 1 8 8 ARG H H 8 8.689 8.689 9.023 -0.334 19175
773 1 13 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.020 -0.090 19175
774 1 13 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.129 -0.091 19175
775 1 13 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.870 -0.730 19175
776 1 13 . 1 1 9 9 ARG H H 9 9.555 9.555 9.180 0.375 19175
777 1 13 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.989 0.395 19175
778 1 13 . 1 1 10 10 GLY H H 10 8.683 8.683 8.231 0.452 19175
779 1 13 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.292 0.029 19175
780 1 13 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.094 0.639 19175
781 1 13 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.172 -0.645 19175
782 1 13 . 1 1 11 11 VAL H H 11 7.804 7.804 7.636 0.168 19175
783 1 13 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.044 0.469 19175
784 1 13 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.332 -2.997 19175
785 1 13 . 1 1 12 12 CYS CB C 12 48.010 48.010 26.980 21.030 19175
786 1 13 . 1 1 12 12 CYS H H 12 9.040 9.040 8.970 0.070 19175
787 1 13 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.746 -0.042 19175
788 1 13 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.519 0.537 19175
789 1 13 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.121 -1.680 19175
790 1 13 . 1 1 13 13 ARG H H 13 8.673 8.673 9.275 -0.602 19175
791 1 13 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.175 0.393 19175
792 1 13 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.575 -3.132 19175
793 1 13 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.403 21.817 19175
794 1 13 . 1 1 14 14 CYS H H 14 9.104 9.104 8.833 0.271 19175
795 1 13 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.433 -0.018 19175
796 1 13 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.247 0.125 19175
797 1 13 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.632 -1.198 19175
798 1 13 . 1 1 15 15 ILE H H 15 8.794 8.794 8.814 -0.020 19175
799 1 13 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.227 0.311 19175
800 1 13 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.923 -2.393 19175
801 1 13 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.403 19.583 19175
802 1 13 . 1 1 16 16 CYS H H 16 9.127 9.127 8.781 0.346 19175
803 1 13 . 1 1 17 17 THR HA H 17 4.454 4.454 4.713 -0.259 19175
804 1 13 . 1 1 17 17 THR CA C 17 61.140 61.140 61.577 -0.437 19175
805 1 13 . 1 1 17 17 THR CB C 17 70.290 70.290 71.603 -1.313 19175
806 1 13 . 1 1 17 17 THR H H 17 8.616 8.616 9.006 -0.390 19175
807 1 14 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.980 0.026 19175
808 1 14 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.836 -1.005 19175
809 1 14 . 1 1 2 2 ASP CB C 2 39.095 39.095 42.878 -3.783 19175
810 1 14 . 1 1 2 2 ASP H H 2 7.917 7.917 8.056 -0.139 19175
811 1 14 . 1 1 3 3 CYS HA H 3 5.420 5.420 4.923 0.497 19175
812 1 14 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.387 -2.577 19175
813 1 14 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.557 19.526 19175
814 1 14 . 1 1 3 3 CYS H H 3 8.877 8.877 8.946 -0.069 19175
815 1 14 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.708 -0.010 19175
816 1 14 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.953 0.121 19175
817 1 14 . 1 1 4 4 ARG CB C 4 32.564 32.564 31.967 0.597 19175
818 1 14 . 1 1 4 4 ARG H H 4 8.714 8.714 8.901 -0.187 19175
819 1 14 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.404 0.145 19175
820 1 14 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.653 -2.100 19175
821 1 14 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.438 20.806 19175
822 1 14 . 1 1 5 5 CYS H H 5 9.066 9.066 8.673 0.393 19175
823 1 14 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.882 -0.162 19175
824 1 14 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.872 0.616 19175
825 1 14 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.940 -1.417 19175
826 1 14 . 1 1 6 6 LEU H H 6 8.697 8.697 9.355 -0.658 19175
827 1 14 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.622 -0.078 19175
828 1 14 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.110 -1.683 19175
829 1 14 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.695 18.387 19175
830 1 14 . 1 1 7 7 CYS H H 7 9.116 9.116 8.694 0.422 19175
831 1 14 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.574 -0.039 19175
832 1 14 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.194 0.456 19175
833 1 14 . 1 1 8 8 ARG CB C 8 32.914 32.914 31.914 1.000 19175
834 1 14 . 1 1 8 8 ARG H H 8 8.689 8.689 9.068 -0.379 19175
835 1 14 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.046 -0.116 19175
836 1 14 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.013 0.025 19175
837 1 14 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.007 0.133 19175
838 1 14 . 1 1 9 9 ARG H H 9 9.555 9.555 9.251 0.304 19175
839 1 14 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.830 0.554 19175
840 1 14 . 1 1 10 10 GLY H H 10 8.683 8.683 8.165 0.518 19175
841 1 14 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.284 0.037 19175
842 1 14 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.280 0.453 19175
843 1 14 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.908 -0.381 19175
844 1 14 . 1 1 11 11 VAL H H 11 7.804 7.804 7.829 -0.025 19175
845 1 14 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.176 0.337 19175
846 1 14 . 1 1 12 12 CYS CA C 12 55.335 55.335 57.824 -2.489 19175
847 1 14 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.983 20.027 19175
848 1 14 . 1 1 12 12 CYS H H 12 9.040 9.040 8.912 0.128 19175
849 1 14 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.770 -0.066 19175
850 1 14 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.522 0.534 19175
851 1 14 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.139 -1.698 19175
852 1 14 . 1 1 13 13 ARG H H 13 8.673 8.673 9.204 -0.531 19175
853 1 14 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.186 0.382 19175
854 1 14 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.112 -2.669 19175
855 1 14 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.415 21.805 19175
856 1 14 . 1 1 14 14 CYS H H 14 9.104 9.104 8.751 0.353 19175
857 1 14 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.611 -0.196 19175
858 1 14 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.511 0.861 19175
859 1 14 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.069 -1.635 19175
860 1 14 . 1 1 15 15 ILE H H 15 8.794 8.794 9.027 -0.233 19175
861 1 14 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.118 0.420 19175
862 1 14 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.670 -2.140 19175
863 1 14 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.886 19.100 19175
864 1 14 . 1 1 16 16 CYS H H 16 9.127 9.127 8.453 0.674 19175
865 1 14 . 1 1 17 17 THR HA H 17 4.454 4.454 4.615 -0.161 19175
866 1 14 . 1 1 17 17 THR CA C 17 61.140 61.140 61.608 -0.468 19175
867 1 14 . 1 1 17 17 THR CB C 17 70.290 70.290 71.397 -1.107 19175
868 1 14 . 1 1 17 17 THR H H 17 8.616 8.616 9.027 -0.411 19175
869 1 15 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.950 0.056 19175
870 1 15 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.703 -0.871 19175
871 1 15 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.647 -4.551 19175
872 1 15 . 1 1 2 2 ASP H H 2 7.917 7.917 8.002 -0.085 19175
873 1 15 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.287 0.133 19175
874 1 15 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.897 -2.087 19175
875 1 15 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.717 19.366 19175
876 1 15 . 1 1 3 3 CYS H H 3 8.877 8.877 8.845 0.032 19175
877 1 15 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.726 -0.028 19175
878 1 15 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.811 0.263 19175
879 1 15 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.026 -0.462 19175
880 1 15 . 1 1 4 4 ARG H H 4 8.714 8.714 9.251 -0.537 19175
881 1 15 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.223 0.326 19175
882 1 15 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.883 -2.330 19175
883 1 15 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.207 21.037 19175
884 1 15 . 1 1 5 5 CYS H H 5 9.066 9.066 8.711 0.355 19175
885 1 15 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.912 -0.192 19175
886 1 15 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.796 0.692 19175
887 1 15 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.470 -1.947 19175
888 1 15 . 1 1 6 6 LEU H H 6 8.697 8.697 9.252 -0.555 19175
889 1 15 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.333 0.211 19175
890 1 15 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.262 -1.835 19175
891 1 15 . 1 1 7 7 CYS CB C 7 48.082 48.082 30.576 17.506 19175
892 1 15 . 1 1 7 7 CYS H H 7 9.116 9.116 8.570 0.546 19175
893 1 15 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.527 0.008 19175
894 1 15 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.824 -0.174 19175
895 1 15 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.658 0.256 19175
896 1 15 . 1 1 8 8 ARG H H 8 8.689 8.689 8.957 -0.268 19175
897 1 15 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.048 -0.118 19175
898 1 15 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.373 -0.335 19175
899 1 15 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.838 -0.698 19175
900 1 15 . 1 1 9 9 ARG H H 9 9.555 9.555 9.257 0.298 19175
901 1 15 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.977 0.407 19175
902 1 15 . 1 1 10 10 GLY H H 10 8.683 8.683 8.199 0.484 19175
903 1 15 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.237 0.084 19175
904 1 15 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.453 0.280 19175
905 1 15 . 1 1 11 11 VAL CB C 11 33.527 33.527 32.223 1.304 19175
906 1 15 . 1 1 11 11 VAL H H 11 7.804 7.804 7.634 0.170 19175
907 1 15 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.936 0.577 19175
908 1 15 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.358 -3.023 19175
909 1 15 . 1 1 12 12 CYS CB C 12 48.010 48.010 28.037 19.973 19175
910 1 15 . 1 1 12 12 CYS H H 12 9.040 9.040 8.803 0.237 19175
911 1 15 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.786 -0.082 19175
912 1 15 . 1 1 13 13 ARG CA C 13 55.056 55.056 53.747 1.309 19175
913 1 15 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.124 -1.683 19175
914 1 15 . 1 1 13 13 ARG H H 13 8.673 8.673 9.358 -0.685 19175
915 1 15 . 1 1 14 14 CYS HA H 14 5.568 5.568 4.686 0.882 19175
916 1 15 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.067 -2.624 19175
917 1 15 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.093 21.128 19175
918 1 15 . 1 1 14 14 CYS H H 14 9.104 9.104 8.674 0.430 19175
919 1 15 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.529 -0.114 19175
920 1 15 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.072 1.300 19175
921 1 15 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.096 -0.662 19175
922 1 15 . 1 1 15 15 ILE H H 15 8.794 8.794 9.069 -0.275 19175
923 1 15 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.315 0.223 19175
924 1 15 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.837 -2.307 19175
925 1 15 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.203 19.783 19175
926 1 15 . 1 1 16 16 CYS H H 16 9.127 9.127 8.552 0.575 19175
927 1 15 . 1 1 17 17 THR HA H 17 4.454 4.454 4.633 -0.179 19175
928 1 15 . 1 1 17 17 THR CA C 17 61.140 61.140 60.722 0.418 19175
929 1 15 . 1 1 17 17 THR CB C 17 70.290 70.290 70.480 -0.190 19175
930 1 15 . 1 1 17 17 THR H H 17 8.616 8.616 9.165 -0.549 19175
931 1 16 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.985 0.021 19175
932 1 16 . 1 1 2 2 ASP CA C 2 51.831 51.831 52.990 -1.159 19175
933 1 16 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.504 -4.409 19175
934 1 16 . 1 1 2 2 ASP H H 2 7.917 7.917 7.867 0.050 19175
935 1 16 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.125 0.295 19175
936 1 16 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.817 -2.007 19175
937 1 16 . 1 1 3 3 CYS CB C 3 47.083 47.083 28.946 18.137 19175
938 1 16 . 1 1 3 3 CYS H H 3 8.877 8.877 8.933 -0.056 19175
939 1 16 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.723 -0.025 19175
940 1 16 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.684 -0.610 19175
941 1 16 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.824 -1.260 19175
942 1 16 . 1 1 4 4 ARG H H 4 8.714 8.714 9.169 -0.455 19175
943 1 16 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.258 0.291 19175
944 1 16 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.742 -2.189 19175
945 1 16 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.010 21.234 19175
946 1 16 . 1 1 5 5 CYS H H 5 9.066 9.066 8.726 0.340 19175
947 1 16 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.880 -0.160 19175
948 1 16 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.901 0.587 19175
949 1 16 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.371 -1.848 19175
950 1 16 . 1 1 6 6 LEU H H 6 8.697 8.697 9.173 -0.476 19175
951 1 16 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.518 0.026 19175
952 1 16 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.262 -1.835 19175
953 1 16 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.474 18.608 19175
954 1 16 . 1 1 7 7 CYS H H 7 9.116 9.116 8.500 0.616 19175
955 1 16 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.563 -0.028 19175
956 1 16 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.459 0.191 19175
957 1 16 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.119 0.795 19175
958 1 16 . 1 1 8 8 ARG H H 8 8.689 8.689 9.012 -0.323 19175
959 1 16 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.021 -0.091 19175
960 1 16 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.707 0.331 19175
961 1 16 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.676 -0.536 19175
962 1 16 . 1 1 9 9 ARG H H 9 9.555 9.555 9.172 0.383 19175
963 1 16 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.735 0.649 19175
964 1 16 . 1 1 10 10 GLY H H 10 8.683 8.683 8.061 0.622 19175
965 1 16 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.224 0.097 19175
966 1 16 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.712 0.021 19175
967 1 16 . 1 1 11 11 VAL CB C 11 33.527 33.527 31.678 1.849 19175
968 1 16 . 1 1 11 11 VAL H H 11 7.804 7.804 7.802 0.002 19175
969 1 16 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.015 0.498 19175
970 1 16 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.344 -3.009 19175
971 1 16 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.381 20.629 19175
972 1 16 . 1 1 12 12 CYS H H 12 9.040 9.040 9.000 0.040 19175
973 1 16 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.757 -0.053 19175
974 1 16 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.242 -0.186 19175
975 1 16 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.366 -1.925 19175
976 1 16 . 1 1 13 13 ARG H H 13 8.673 8.673 9.257 -0.584 19175
977 1 16 . 1 1 14 14 CYS HA H 14 5.568 5.568 4.764 0.804 19175
978 1 16 . 1 1 14 14 CYS CA C 14 55.443 55.443 59.251 -3.808 19175
979 1 16 . 1 1 14 14 CYS CB C 14 48.220 48.220 25.831 22.389 19175
980 1 16 . 1 1 14 14 CYS H H 14 9.104 9.104 8.880 0.224 19175
981 1 16 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.636 -0.221 19175
982 1 16 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.006 0.366 19175
983 1 16 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.416 -1.982 19175
984 1 16 . 1 1 15 15 ILE H H 15 8.794 8.794 8.915 -0.121 19175
985 1 16 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.277 0.261 19175
986 1 16 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.793 -2.263 19175
987 1 16 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.542 18.444 19175
988 1 16 . 1 1 16 16 CYS H H 16 9.127 9.127 8.738 0.389 19175
989 1 16 . 1 1 17 17 THR HA H 17 4.454 4.454 4.589 -0.135 19175
990 1 16 . 1 1 17 17 THR CA C 17 61.140 61.140 62.000 -0.860 19175
991 1 16 . 1 1 17 17 THR CB C 17 70.290 70.290 71.733 -1.443 19175
992 1 16 . 1 1 17 17 THR H H 17 8.616 8.616 9.170 -0.554 19175
993 1 17 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.983 0.023 19175
994 1 17 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.190 -1.359 19175
995 1 17 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.647 -4.552 19175
996 1 17 . 1 1 2 2 ASP H H 2 7.917 7.917 7.868 0.049 19175
997 1 17 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.032 0.388 19175
998 1 17 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.061 -2.251 19175
999 1 17 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.870 19.213 19175
1000 1 17 . 1 1 3 3 CYS H H 3 8.877 8.877 8.902 -0.025 19175
1001 1 17 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.894 -0.196 19175
1002 1 17 . 1 1 4 4 ARG CA C 4 55.074 55.074 54.710 0.364 19175
1003 1 17 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.734 -0.170 19175
1004 1 17 . 1 1 4 4 ARG H H 4 8.714 8.714 9.116 -0.402 19175
1005 1 17 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.357 0.192 19175
1006 1 17 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.790 -2.237 19175
1007 1 17 . 1 1 5 5 CYS CB C 5 48.244 48.244 28.988 19.256 19175
1008 1 17 . 1 1 5 5 CYS H H 5 9.066 9.066 8.593 0.473 19175
1009 1 17 . 1 1 6 6 LEU HA H 6 4.720 4.720 5.069 -0.349 19175
1010 1 17 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.843 0.645 19175
1011 1 17 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.060 -0.537 19175
1012 1 17 . 1 1 6 6 LEU H H 6 8.697 8.697 9.169 -0.472 19175
1013 1 17 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.547 -0.003 19175
1014 1 17 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.629 -2.202 19175
1015 1 17 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.913 18.169 19175
1016 1 17 . 1 1 7 7 CYS H H 7 9.116 9.116 8.618 0.498 19175
1017 1 17 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.502 0.033 19175
1018 1 17 . 1 1 8 8 ARG CA C 8 55.650 55.650 54.889 0.761 19175
1019 1 17 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.533 0.381 19175
1020 1 17 . 1 1 8 8 ARG H H 8 8.689 8.689 9.013 -0.324 19175
1021 1 17 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.003 -0.073 19175
1022 1 17 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.340 -0.302 19175
1023 1 17 . 1 1 9 9 ARG CB C 9 28.140 28.140 29.074 -0.934 19175
1024 1 17 . 1 1 9 9 ARG H H 9 9.555 9.555 9.144 0.411 19175
1025 1 17 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.742 0.642 19175
1026 1 17 . 1 1 10 10 GLY H H 10 8.683 8.683 8.177 0.506 19175
1027 1 17 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.469 -0.148 19175
1028 1 17 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.333 1.400 19175
1029 1 17 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.852 -1.325 19175
1030 1 17 . 1 1 11 11 VAL H H 11 7.804 7.804 7.679 0.125 19175
1031 1 17 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.060 0.453 19175
1032 1 17 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.092 -2.757 19175
1033 1 17 . 1 1 12 12 CYS CB C 12 48.010 48.010 26.835 21.175 19175
1034 1 17 . 1 1 12 12 CYS H H 12 9.040 9.040 8.848 0.192 19175
1035 1 17 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.886 -0.182 19175
1036 1 17 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.429 0.627 19175
1037 1 17 . 1 1 13 13 ARG CB C 13 32.441 32.441 32.643 -0.202 19175
1038 1 17 . 1 1 13 13 ARG H H 13 8.673 8.673 9.356 -0.683 19175
1039 1 17 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.227 0.341 19175
1040 1 17 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.311 -2.868 19175
1041 1 17 . 1 1 14 14 CYS CB C 14 48.220 48.220 28.225 19.995 19175
1042 1 17 . 1 1 14 14 CYS H H 14 9.104 9.104 8.583 0.521 19175
1043 1 17 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.489 -0.074 19175
1044 1 17 . 1 1 15 15 ILE CA C 15 60.372 60.372 60.163 0.209 19175
1045 1 17 . 1 1 15 15 ILE CB C 15 40.434 40.434 42.518 -2.084 19175
1046 1 17 . 1 1 15 15 ILE H H 15 8.794 8.794 9.028 -0.234 19175
1047 1 17 . 1 1 16 16 CYS HA H 16 5.538 5.538 4.917 0.621 19175
1048 1 17 . 1 1 16 16 CYS CA C 16 55.530 55.530 58.252 -2.722 19175
1049 1 17 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.101 19.885 19175
1050 1 17 . 1 1 16 16 CYS H H 16 9.127 9.127 8.846 0.281 19175
1051 1 17 . 1 1 17 17 THR HA H 17 4.454 4.454 4.599 -0.145 19175
1052 1 17 . 1 1 17 17 THR CA C 17 61.140 61.140 61.756 -0.616 19175
1053 1 17 . 1 1 17 17 THR CB C 17 70.290 70.290 72.028 -1.738 19175
1054 1 17 . 1 1 17 17 THR H H 17 8.616 8.616 9.058 -0.442 19175
1055 1 18 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.947 0.059 19175
1056 1 18 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.190 -1.359 19175
1057 1 18 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.672 -4.577 19175
1058 1 18 . 1 1 2 2 ASP H H 2 7.917 7.917 7.808 0.109 19175
1059 1 18 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.005 0.415 19175
1060 1 18 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.375 -2.565 19175
1061 1 18 . 1 1 3 3 CYS CB C 3 47.083 47.083 27.269 19.814 19175
1062 1 18 . 1 1 3 3 CYS H H 3 8.877 8.877 8.982 -0.105 19175
1063 1 18 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.761 -0.063 19175
1064 1 18 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.400 -0.326 19175
1065 1 18 . 1 1 4 4 ARG CB C 4 32.564 32.564 34.044 -1.480 19175
1066 1 18 . 1 1 4 4 ARG H H 4 8.714 8.714 9.352 -0.638 19175
1067 1 18 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.263 0.286 19175
1068 1 18 . 1 1 5 5 CYS CA C 5 55.553 55.553 58.775 -3.222 19175
1069 1 18 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.467 20.777 19175
1070 1 18 . 1 1 5 5 CYS H H 5 9.066 9.066 8.804 0.262 19175
1071 1 18 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.885 -0.165 19175
1072 1 18 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.167 0.320 19175
1073 1 18 . 1 1 6 6 LEU CB C 6 44.523 44.523 46.708 -2.185 19175
1074 1 18 . 1 1 6 6 LEU H H 6 8.697 8.697 9.254 -0.557 19175
1075 1 18 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.547 -0.003 19175
1076 1 18 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.257 -1.830 19175
1077 1 18 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.819 18.264 19175
1078 1 18 . 1 1 7 7 CYS H H 7 9.116 9.116 8.643 0.473 19175
1079 1 18 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.603 -0.068 19175
1080 1 18 . 1 1 8 8 ARG CA C 8 55.650 55.650 54.567 1.083 19175
1081 1 18 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.592 0.322 19175
1082 1 18 . 1 1 8 8 ARG H H 8 8.689 8.689 8.941 -0.252 19175
1083 1 18 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.020 -0.090 19175
1084 1 18 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.142 -0.104 19175
1085 1 18 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.980 -0.840 19175
1086 1 18 . 1 1 9 9 ARG H H 9 9.555 9.555 9.058 0.497 19175
1087 1 18 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.699 0.685 19175
1088 1 18 . 1 1 10 10 GLY H H 10 8.683 8.683 8.188 0.495 19175
1089 1 18 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.471 -0.150 19175
1090 1 18 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.701 1.032 19175
1091 1 18 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.439 -0.912 19175
1092 1 18 . 1 1 11 11 VAL H H 11 7.804 7.804 7.698 0.106 19175
1093 1 18 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.969 0.544 19175
1094 1 18 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.274 -2.939 19175
1095 1 18 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.553 20.457 19175
1096 1 18 . 1 1 12 12 CYS H H 12 9.040 9.040 8.810 0.230 19175
1097 1 18 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.800 -0.096 19175
1098 1 18 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.243 -0.187 19175
1099 1 18 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.684 -1.243 19175
1100 1 18 . 1 1 13 13 ARG H H 13 8.673 8.673 9.194 -0.521 19175
1101 1 18 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.130 0.438 19175
1102 1 18 . 1 1 14 14 CYS CA C 14 55.443 55.443 57.828 -2.385 19175
1103 1 18 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.311 20.909 19175
1104 1 18 . 1 1 14 14 CYS H H 14 9.104 9.104 8.701 0.403 19175
1105 1 18 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.649 -0.234 19175
1106 1 18 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.386 0.986 19175
1107 1 18 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.861 -1.427 19175
1108 1 18 . 1 1 15 15 ILE H H 15 8.794 8.794 9.083 -0.289 19175
1109 1 18 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.377 0.161 19175
1110 1 18 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.739 -2.209 19175
1111 1 18 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.183 19.803 19175
1112 1 18 . 1 1 16 16 CYS H H 16 9.127 9.127 8.477 0.650 19175
1113 1 18 . 1 1 17 17 THR HA H 17 4.454 4.454 4.616 -0.162 19175
1114 1 18 . 1 1 17 17 THR CA C 17 61.140 61.140 61.112 0.028 19175
1115 1 18 . 1 1 17 17 THR CB C 17 70.290 70.290 70.734 -0.444 19175
1116 1 18 . 1 1 17 17 THR H H 17 8.616 8.616 9.113 -0.497 19175
1117 1 19 . 1 1 2 2 ASP HA H 2 5.006 5.006 4.954 0.052 19175
1118 1 19 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.218 -1.387 19175
1119 1 19 . 1 1 2 2 ASP CB C 2 39.095 39.095 44.241 -5.146 19175
1120 1 19 . 1 1 2 2 ASP H H 2 7.917 7.917 7.785 0.132 19175
1121 1 19 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.205 0.215 19175
1122 1 19 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.039 -1.229 19175
1123 1 19 . 1 1 3 3 CYS CB C 3 47.083 47.083 31.188 15.895 19175
1124 1 19 . 1 1 3 3 CYS H H 3 8.877 8.877 8.450 0.427 19175
1125 1 19 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.656 0.042 19175
1126 1 19 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.965 -0.891 19175
1127 1 19 . 1 1 4 4 ARG CB C 4 32.564 32.564 32.703 -0.139 19175
1128 1 19 . 1 1 4 4 ARG H H 4 8.714 8.714 8.881 -0.167 19175
1129 1 19 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.434 0.115 19175
1130 1 19 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.600 -2.047 19175
1131 1 19 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.862 20.382 19175
1132 1 19 . 1 1 5 5 CYS H H 5 9.066 9.066 8.671 0.395 19175
1133 1 19 . 1 1 6 6 LEU HA H 6 4.720 4.720 5.097 -0.377 19175
1134 1 19 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.795 0.693 19175
1135 1 19 . 1 1 6 6 LEU CB C 6 44.523 44.523 44.931 -0.409 19175
1136 1 19 . 1 1 6 6 LEU H H 6 8.697 8.697 9.140 -0.443 19175
1137 1 19 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.557 -0.013 19175
1138 1 19 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.997 -2.570 19175
1139 1 19 . 1 1 7 7 CYS CB C 7 48.082 48.082 30.548 17.534 19175
1140 1 19 . 1 1 7 7 CYS H H 7 9.116 9.116 8.447 0.669 19175
1141 1 19 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.519 0.016 19175
1142 1 19 . 1 1 8 8 ARG CA C 8 55.650 55.650 56.282 -0.632 19175
1143 1 19 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.795 0.119 19175
1144 1 19 . 1 1 8 8 ARG H H 8 8.689 8.689 9.102 -0.413 19175
1145 1 19 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.051 -0.121 19175
1146 1 19 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.096 -0.058 19175
1147 1 19 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.959 -0.819 19175
1148 1 19 . 1 1 9 9 ARG H H 9 9.555 9.555 9.291 0.264 19175
1149 1 19 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.643 0.741 19175
1150 1 19 . 1 1 10 10 GLY H H 10 8.683 8.683 8.307 0.376 19175
1151 1 19 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.228 0.093 19175
1152 1 19 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.620 0.113 19175
1153 1 19 . 1 1 11 11 VAL CB C 11 33.527 33.527 32.810 0.717 19175
1154 1 19 . 1 1 11 11 VAL H H 11 7.804 7.804 7.689 0.115 19175
1155 1 19 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.163 0.350 19175
1156 1 19 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.239 -2.904 19175
1157 1 19 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.104 20.906 19175
1158 1 19 . 1 1 12 12 CYS H H 12 9.040 9.040 9.036 0.004 19175
1159 1 19 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.803 -0.099 19175
1160 1 19 . 1 1 13 13 ARG CA C 13 55.056 55.056 55.243 -0.187 19175
1161 1 19 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.625 -2.184 19175
1162 1 19 . 1 1 13 13 ARG H H 13 8.673 8.673 9.346 -0.673 19175
1163 1 19 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.014 0.554 19175
1164 1 19 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.325 -2.881 19175
1165 1 19 . 1 1 14 14 CYS CB C 14 48.220 48.220 28.160 20.060 19175
1166 1 19 . 1 1 14 14 CYS H H 14 9.104 9.104 8.856 0.248 19175
1167 1 19 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.374 0.041 19175
1168 1 19 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.387 0.985 19175
1169 1 19 . 1 1 15 15 ILE CB C 15 40.434 40.434 37.688 2.746 19175
1170 1 19 . 1 1 15 15 ILE H H 15 8.794 8.794 9.250 -0.456 19175
1171 1 19 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.063 0.475 19175
1172 1 19 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.839 -2.309 19175
1173 1 19 . 1 1 16 16 CYS CB C 16 47.986 47.986 29.667 18.319 19175
1174 1 19 . 1 1 16 16 CYS H H 16 9.127 9.127 8.987 0.140 19175
1175 1 19 . 1 1 17 17 THR HA H 17 4.454 4.454 4.643 -0.189 19175
1176 1 19 . 1 1 17 17 THR CA C 17 61.140 61.140 61.618 -0.478 19175
1177 1 19 . 1 1 17 17 THR CB C 17 70.290 70.290 71.013 -0.723 19175
1178 1 19 . 1 1 17 17 THR H H 17 8.616 8.616 9.222 -0.606 19175
1179 1 20 . 1 1 2 2 ASP HA H 2 5.006 5.006 5.014 -0.008 19175
1180 1 20 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.013 -1.182 19175
1181 1 20 . 1 1 2 2 ASP CB C 2 39.095 39.095 44.875 -5.780 19175
1182 1 20 . 1 1 2 2 ASP H H 2 7.917 7.917 8.037 -0.120 19175
1183 1 20 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.232 0.188 19175
1184 1 20 . 1 1 3 3 CYS CA C 3 55.810 55.810 57.451 -1.641 19175
1185 1 20 . 1 1 3 3 CYS CB C 3 47.083 47.083 29.543 17.540 19175
1186 1 20 . 1 1 3 3 CYS H H 3 8.877 8.877 8.554 0.323 19175
1187 1 20 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.738 -0.040 19175
1188 1 20 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.210 -0.136 19175
1189 1 20 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.526 -0.962 19175
1190 1 20 . 1 1 4 4 ARG H H 4 8.714 8.714 9.373 -0.659 19175
1191 1 20 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.319 0.230 19175
1192 1 20 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.771 -2.218 19175
1193 1 20 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.490 20.754 19175
1194 1 20 . 1 1 5 5 CYS H H 5 9.066 9.066 8.669 0.397 19175
1195 1 20 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.810 -0.090 19175
1196 1 20 . 1 1 6 6 LEU CA C 6 54.488 54.488 54.508 -0.020 19175
1197 1 20 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.816 -1.294 19175
1198 1 20 . 1 1 6 6 LEU H H 6 8.697 8.697 9.138 -0.441 19175
1199 1 20 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.275 0.269 19175
1200 1 20 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.464 -2.037 19175
1201 1 20 . 1 1 7 7 CYS CB C 7 48.082 48.082 28.481 19.601 19175
1202 1 20 . 1 1 7 7 CYS H H 7 9.116 9.116 8.418 0.698 19175
1203 1 20 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.574 -0.039 19175
1204 1 20 . 1 1 8 8 ARG CA C 8 55.650 55.650 54.261 1.389 19175
1205 1 20 . 1 1 8 8 ARG CB C 8 32.914 32.914 31.910 1.004 19175
1206 1 20 . 1 1 8 8 ARG H H 8 8.689 8.689 9.050 -0.361 19175
1207 1 20 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.020 -0.090 19175
1208 1 20 . 1 1 9 9 ARG CA C 9 57.038 57.038 56.493 0.545 19175
1209 1 20 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.556 -0.416 19175
1210 1 20 . 1 1 9 9 ARG H H 9 9.555 9.555 9.081 0.474 19175
1211 1 20 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.725 0.659 19175
1212 1 20 . 1 1 10 10 GLY H H 10 8.683 8.683 8.206 0.477 19175
1213 1 20 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.475 -0.154 19175
1214 1 20 . 1 1 11 11 VAL CA C 11 61.733 61.733 60.398 1.335 19175
1215 1 20 . 1 1 11 11 VAL CB C 11 33.527 33.527 34.167 -0.640 19175
1216 1 20 . 1 1 11 11 VAL H H 11 7.804 7.804 7.759 0.045 19175
1217 1 20 . 1 1 12 12 CYS HA H 12 5.513 5.513 4.824 0.689 19175
1218 1 20 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.418 -3.083 19175
1219 1 20 . 1 1 12 12 CYS CB C 12 48.010 48.010 26.600 21.410 19175
1220 1 20 . 1 1 12 12 CYS H H 12 9.040 9.040 8.882 0.158 19175
1221 1 20 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.819 -0.115 19175
1222 1 20 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.426 0.630 19175
1223 1 20 . 1 1 13 13 ARG CB C 13 32.441 32.441 34.239 -1.798 19175
1224 1 20 . 1 1 13 13 ARG H H 13 8.673 8.673 9.162 -0.489 19175
1225 1 20 . 1 1 14 14 CYS HA H 14 5.568 5.568 4.849 0.719 19175
1226 1 20 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.022 -2.579 19175
1227 1 20 . 1 1 14 14 CYS CB C 14 48.220 48.220 27.261 20.959 19175
1228 1 20 . 1 1 14 14 CYS H H 14 9.104 9.104 8.671 0.433 19175
1229 1 20 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.628 -0.213 19175
1230 1 20 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.358 1.014 19175
1231 1 20 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.307 -0.873 19175
1232 1 20 . 1 1 15 15 ILE H H 15 8.794 8.794 8.984 -0.190 19175
1233 1 20 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.357 0.181 19175
1234 1 20 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.688 -2.158 19175
1235 1 20 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.512 19.474 19175
1236 1 20 . 1 1 16 16 CYS H H 16 9.127 9.127 8.472 0.655 19175
1237 1 20 . 1 1 17 17 THR HA H 17 4.454 4.454 4.634 -0.180 19175
1238 1 20 . 1 1 17 17 THR CA C 17 61.140 61.140 61.567 -0.427 19175
1239 1 20 . 1 1 17 17 THR CB C 17 70.290 70.290 71.821 -1.531 19175
1240 1 20 . 1 1 17 17 THR H H 17 8.616 8.616 9.202 -0.586 19175
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 19175
2 1 1 "Average Difference" HA 17 0.279 -0.085 0.274 19175
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19175
4 1 1 "Average Difference" CA 16 1.747 0.817 1.594 19175
5 1 1 "Average Difference" CB 15 12.535 -7.191 10.628 19175
6 1 1 "Average Difference" HN 16 0.428 0.005 0.442 19175
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19175
8 1 2 "Average Difference" HA 17 0.225 -0.059 0.224 19175
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19175
10 1 2 "Average Difference" CA 16 1.502 0.860 1.272 19175
11 1 2 "Average Difference" CB 15 12.489 -7.171 10.584 19175
12 1 2 "Average Difference" HN 16 0.421 0.036 0.433 19175
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19175
14 1 3 "Average Difference" HA 17 0.258 -0.090 0.250 19175
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19175
16 1 3 "Average Difference" CA 16 1.573 0.828 1.382 19175
17 1 3 "Average Difference" CB 15 12.778 -7.401 10.782 19175
18 1 3 "Average Difference" HN 16 0.396 0.054 0.406 19175
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19175
20 1 4 "Average Difference" HA 17 0.257 -0.085 0.250 19175
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19175
22 1 4 "Average Difference" CA 16 1.678 1.051 1.351 19175
23 1 4 "Average Difference" CB 15 12.527 -7.323 10.520 19175
24 1 4 "Average Difference" HN 16 0.356 0.029 0.366 19175
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19175
26 1 5 "Average Difference" HA 17 0.215 -0.033 0.219 19175
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19175
28 1 5 "Average Difference" CA 16 1.486 0.602 1.403 19175
29 1 5 "Average Difference" CB 15 12.224 -7.341 10.117 19175
30 1 5 "Average Difference" HN 16 0.431 -0.012 0.445 19175
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19175
32 1 6 "Average Difference" HA 17 0.292 -0.134 0.267 19175
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19175
34 1 6 "Average Difference" CA 16 1.703 0.884 1.503 19175
35 1 6 "Average Difference" CB 15 12.802 -7.828 10.485 19175
36 1 6 "Average Difference" HN 16 0.358 0.048 0.366 19175
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19175
38 1 7 "Average Difference" HA 17 0.261 -0.094 0.251 19175
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19175
40 1 7 "Average Difference" CA 16 1.545 0.939 1.267 19175
41 1 7 "Average Difference" CB 15 12.517 -7.218 10.585 19175
42 1 7 "Average Difference" HN 16 0.381 0.037 0.392 19175
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19175
44 1 8 "Average Difference" HA 17 0.259 -0.093 0.250 19175
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19175
46 1 8 "Average Difference" CA 16 1.649 0.879 1.440 19175
47 1 8 "Average Difference" CB 15 12.694 -7.362 10.704 19175
48 1 8 "Average Difference" HN 16 0.382 0.029 0.394 19175
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19175
50 1 9 "Average Difference" HA 17 0.288 -0.120 0.270 19175
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19175
52 1 9 "Average Difference" CA 16 1.653 0.827 1.479 19175
53 1 9 "Average Difference" CB 15 12.453 -7.164 10.544 19175
54 1 9 "Average Difference" HN 16 0.375 -0.029 0.387 19175
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19175
56 1 10 "Average Difference" HA 17 0.229 -0.079 0.222 19175
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19175
58 1 10 "Average Difference" CA 16 1.600 0.831 1.411 19175
59 1 10 "Average Difference" CB 15 12.895 -7.493 10.864 19175
60 1 10 "Average Difference" HN 16 0.412 0.023 0.424 19175
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19175
62 1 11 "Average Difference" HA 17 0.246 -0.058 0.246 19175
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19175
64 1 11 "Average Difference" CA 16 1.378 0.818 1.145 19175
65 1 11 "Average Difference" CB 15 12.606 -7.278 10.653 19175
66 1 11 "Average Difference" HN 16 0.410 0.014 0.423 19175
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19175
68 1 12 "Average Difference" HA 17 0.248 -0.083 0.241 19175
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19175
70 1 12 "Average Difference" CA 16 1.628 0.716 1.510 19175
71 1 12 "Average Difference" CB 15 12.648 -7.509 10.534 19175
72 1 12 "Average Difference" HN 16 0.419 0.029 0.431 19175
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19175
74 1 13 "Average Difference" HA 17 0.250 -0.096 0.238 19175
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19175
76 1 13 "Average Difference" CA 16 1.566 0.835 1.368 19175
77 1 13 "Average Difference" CB 15 12.901 -7.320 10.996 19175
78 1 13 "Average Difference" HN 16 0.348 -0.014 0.360 19175
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19175
80 1 14 "Average Difference" HA 17 0.263 -0.097 0.252 19175
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19175
82 1 14 "Average Difference" CA 16 1.482 0.719 1.338 19175
83 1 14 "Average Difference" CB 15 12.697 -7.424 10.662 19175
84 1 14 "Average Difference" HN 16 0.390 -0.010 0.402 19175
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19175
86 1 15 "Average Difference" HA 17 0.323 -0.139 0.300 19175
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19175
88 1 15 "Average Difference" CA 16 1.577 0.682 1.468 19175
89 1 15 "Average Difference" CB 15 12.625 -7.344 10.630 19175
90 1 15 "Average Difference" HN 16 0.423 -0.011 0.437 19175
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19175
92 1 16 "Average Difference" HA 17 0.307 -0.129 0.287 19175
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19175
94 1 16 "Average Difference" CA 16 1.666 0.986 1.386 19175
95 1 16 "Average Difference" CB 15 12.732 -7.246 10.837 19175
96 1 16 "Average Difference" HN 16 0.390 -0.006 0.403 19175
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19175
98 1 17 "Average Difference" HA 17 0.292 -0.083 0.288 19175
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19175
100 1 17 "Average Difference" CA 16 1.666 0.792 1.514 19175
101 1 17 "Average Difference" CB 15 12.503 -7.102 10.651 19175
102 1 17 "Average Difference" HN 16 0.396 -0.030 0.408 19175
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19175
104 1 18 "Average Difference" HA 17 0.268 -0.082 0.263 19175
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19175
106 1 18 "Average Difference" CA 16 1.683 0.812 1.522 19175
107 1 18 "Average Difference" CB 15 12.751 -7.149 10.929 19175
108 1 18 "Average Difference" HN 16 0.421 -0.023 0.434 19175
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19175
110 1 19 "Average Difference" HA 17 0.271 -0.100 0.259 19175
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19175
112 1 19 "Average Difference" CA 16 1.577 0.940 1.307 19175
113 1 19 "Average Difference" CB 15 12.087 -7.151 10.087 19175
114 1 19 "Average Difference" HN 16 0.398 -0.001 0.411 19175
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19175
116 1 20 "Average Difference" HA 17 0.311 -0.113 0.299 19175
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19175
118 1 20 "Average Difference" CA 16 1.582 0.619 1.503 19175
119 1 20 "Average Difference" CB 15 12.763 -7.163 10.934 19175
120 1 20 "Average Difference" HN 16 0.450 -0.051 0.461 19175
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 19175
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
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This saveframe contains the averaged SPARTA chemical shift over all the models used.
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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 ASP HA H 2 5.006 5.006 4.952 0.054 19175
2 1 . 1 1 2 2 ASP CA C 2 51.831 51.831 53.037 -1.206 19175
3 1 . 1 1 2 2 ASP CB C 2 39.095 39.095 43.217 -4.122 19175
4 1 . 1 1 2 2 ASP H H 2 7.917 7.917 7.953 -0.036 19175
5 1 . 1 1 3 3 CYS HA H 3 5.420 5.420 5.083 0.337 19175
6 1 . 1 1 3 3 CYS CA C 3 55.810 55.810 58.077 -2.267 19175
7 1 . 1 1 3 3 CYS CB C 3 47.083 47.083 28.010 19.073 19175
8 1 . 1 1 3 3 CYS H H 3 8.877 8.877 8.884 -0.007 19175
9 1 . 1 1 4 4 ARG HA H 4 4.698 4.698 4.752 -0.054 19175
10 1 . 1 1 4 4 ARG CA C 4 55.074 55.074 55.064 0.010 19175
11 1 . 1 1 4 4 ARG CB C 4 32.564 32.564 33.354 -0.790 19175
12 1 . 1 1 4 4 ARG H H 4 8.714 8.714 9.173 -0.459 19175
13 1 . 1 1 5 5 CYS HA H 5 5.549 5.549 5.335 0.214 19175
14 1 . 1 1 5 5 CYS CA C 5 55.553 55.553 57.864 -2.311 19175
15 1 . 1 1 5 5 CYS CB C 5 48.244 48.244 27.764 20.480 19175
16 1 . 1 1 5 5 CYS H H 5 9.066 9.066 8.705 0.361 19175
17 1 . 1 1 6 6 LEU HA H 6 4.720 4.720 4.918 -0.198 19175
18 1 . 1 1 6 6 LEU CA C 6 54.488 54.488 53.910 0.578 19175
19 1 . 1 1 6 6 LEU CB C 6 44.523 44.523 45.358 -0.835 19175
20 1 . 1 1 6 6 LEU H H 6 8.697 8.697 9.212 -0.515 19175
21 1 . 1 1 7 7 CYS HA H 7 5.544 5.544 5.539 0.005 19175
22 1 . 1 1 7 7 CYS CA C 7 55.427 55.427 57.339 -1.912 19175
23 1 . 1 1 7 7 CYS CB C 7 48.082 48.082 29.871 18.211 19175
24 1 . 1 1 7 7 CYS H H 7 9.116 9.116 8.616 0.500 19175
25 1 . 1 1 8 8 ARG HA H 8 4.535 4.535 4.543 -0.008 19175
26 1 . 1 1 8 8 ARG CA C 8 55.650 55.650 55.409 0.241 19175
27 1 . 1 1 8 8 ARG CB C 8 32.914 32.914 32.446 0.468 19175
28 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.027 -0.338 19175
29 1 . 1 1 9 9 ARG HA H 9 3.930 3.930 4.038 -0.108 19175
30 1 . 1 1 9 9 ARG CA C 9 57.038 57.038 57.042 -0.004 19175
31 1 . 1 1 9 9 ARG CB C 9 28.140 28.140 28.599 -0.459 19175
32 1 . 1 1 9 9 ARG H H 9 9.555 9.555 9.199 0.356 19175
33 1 . 1 1 10 10 GLY CA C 10 45.384 45.384 44.844 0.540 19175
34 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.194 0.489 19175
35 1 . 1 1 11 11 VAL HA H 11 4.321 4.321 4.331 -0.010 19175
36 1 . 1 1 11 11 VAL CA C 11 61.733 61.733 61.163 0.570 19175
37 1 . 1 1 11 11 VAL CB C 11 33.527 33.527 33.498 0.029 19175
38 1 . 1 1 11 11 VAL H H 11 7.804 7.804 7.693 0.111 19175
39 1 . 1 1 12 12 CYS HA H 12 5.513 5.513 5.078 0.435 19175
40 1 . 1 1 12 12 CYS CA C 12 55.335 55.335 58.150 -2.815 19175
41 1 . 1 1 12 12 CYS CB C 12 48.010 48.010 27.491 20.520 19175
42 1 . 1 1 12 12 CYS H H 12 9.040 9.040 8.919 0.121 19175
43 1 . 1 1 13 13 ARG HA H 13 4.704 4.704 4.782 -0.078 19175
44 1 . 1 1 13 13 ARG CA C 13 55.056 55.056 54.627 0.429 19175
45 1 . 1 1 13 13 ARG CB C 13 32.441 32.441 33.510 -1.069 19175
46 1 . 1 1 13 13 ARG H H 13 8.673 8.673 9.252 -0.579 19175
47 1 . 1 1 14 14 CYS HA H 14 5.568 5.568 5.069 0.499 19175
48 1 . 1 1 14 14 CYS CA C 14 55.443 55.443 58.338 -2.895 19175
49 1 . 1 1 14 14 CYS CB C 14 48.220 48.220 26.998 21.222 19175
50 1 . 1 1 14 14 CYS H H 14 9.104 9.104 8.779 0.325 19175
51 1 . 1 1 15 15 ILE HA H 15 4.415 4.415 4.553 -0.138 19175
52 1 . 1 1 15 15 ILE CA C 15 60.372 60.372 59.820 0.552 19175
53 1 . 1 1 15 15 ILE CB C 15 40.434 40.434 41.658 -1.224 19175
54 1 . 1 1 15 15 ILE H H 15 8.794 8.794 9.121 -0.327 19175
55 1 . 1 1 16 16 CYS HA H 16 5.538 5.538 5.309 0.229 19175
56 1 . 1 1 16 16 CYS CA C 16 55.530 55.530 57.780 -2.250 19175
57 1 . 1 1 16 16 CYS CB C 16 47.986 47.986 28.793 19.193 19175
58 1 . 1 1 16 16 CYS H H 16 9.127 9.127 8.702 0.425 19175
59 1 . 1 1 17 17 THR HA H 17 4.454 4.454 4.636 -0.182 19175
60 1 . 1 1 17 17 THR CA C 17 61.140 61.140 61.551 -0.411 19175
61 1 . 1 1 17 17 THR CB C 17 70.290 70.290 71.353 -1.063 19175
62 1 . 1 1 17 17 THR H H 17 8.616 8.616 9.137 -0.521 19175
stop_
save_