data_19476
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19476
_Entry.PDB_ID 2MD6
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 19476
_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 GLY CA C 2 42.241 42.241 45.141 -2.900 19476
2 1 1 . 1 1 2 2 GLY H H 2 8.945 8.945 8.684 0.261 19476
3 1 1 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.798 -0.301 19476
4 1 1 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.231 -1.601 19476
5 1 1 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.410 12.092 19476
6 1 1 . 1 1 3 3 CYS H H 3 8.910 8.910 8.273 0.637 19476
7 1 1 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.530 -0.101 19476
8 1 1 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.621 -6.529 19476
9 1 1 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.403 8.817 19476
10 1 1 . 1 1 4 4 CYS H H 4 8.773 8.773 8.409 0.364 19476
11 1 1 . 1 1 5 5 SER HA H 5 4.518 4.518 4.440 0.078 19476
12 1 1 . 1 1 5 5 SER CA C 5 55.783 55.783 58.431 -2.648 19476
13 1 1 . 1 1 5 5 SER CB C 5 60.742 60.742 63.704 -2.962 19476
14 1 1 . 1 1 5 5 SER H H 5 7.798 7.798 8.404 -0.606 19476
15 1 1 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.029 0.266 19476
16 1 1 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.555 -5.487 19476
17 1 1 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.883 -0.955 19476
18 1 1 . 1 1 6 6 ASN H H 6 8.073 8.073 8.364 -0.291 19476
19 1 1 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.456 -0.339 19476
20 1 1 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.535 -1.443 19476
21 1 1 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.029 -2.751 19476
22 1 1 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.414 -0.265 19476
23 1 1 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.339 -1.457 19476
24 1 1 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.676 -3.463 19476
25 1 1 . 1 1 8 8 ALA H H 8 7.807 7.807 8.206 -0.399 19476
26 1 1 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.364 0.031 19476
27 1 1 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.381 -2.283 19476
28 1 1 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.972 11.413 19476
29 1 1 . 1 1 9 9 CYS H H 9 8.114 8.114 7.993 0.121 19476
30 1 1 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.147 -0.150 19476
31 1 1 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.775 -2.958 19476
32 1 1 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.094 -2.544 19476
33 1 1 . 1 1 10 10 ARG H H 10 8.855 8.855 7.764 1.091 19476
34 1 1 . 1 1 11 11 THR HA H 11 3.891 3.891 4.215 -0.324 19476
35 1 1 . 1 1 11 11 THR CA C 11 62.717 62.717 64.767 -2.050 19476
36 1 1 . 1 1 11 11 THR CB C 11 66.074 66.074 68.651 -2.578 19476
37 1 1 . 1 1 11 11 THR H H 11 7.934 7.934 7.795 0.139 19476
38 1 1 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.685 -0.081 19476
39 1 1 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.851 -2.826 19476
40 1 1 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.871 -3.293 19476
41 1 1 . 1 1 12 12 ASN H H 12 7.538 7.538 7.735 -0.197 19476
42 1 1 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.944 0.520 19476
43 1 1 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.722 -3.538 19476
44 1 1 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.977 -3.264 19476
45 1 1 . 1 1 13 13 HIS H H 13 7.818 7.818 8.296 -0.478 19476
46 1 1 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.385 0.023 19476
47 1 1 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.162 -1.847 19476
48 1 1 . 1 1 14 14 PRO CB C 14 28.367 28.367 31.933 -3.566 19476
49 1 1 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.139 0.184 19476
50 1 1 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.032 -2.528 19476
51 1 1 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.599 -4.243 19476
52 1 1 . 1 1 15 15 GLU H H 15 9.729 9.729 8.297 1.432 19476
53 1 1 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.024 0.210 19476
54 1 1 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.725 -2.309 19476
55 1 1 . 1 1 16 16 VAL CB C 16 30.066 30.066 30.778 -0.712 19476
56 1 1 . 1 1 16 16 VAL H H 16 7.514 7.514 7.431 0.083 19476
57 1 1 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.748 0.185 19476
58 1 1 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.814 -7.029 19476
59 1 1 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.027 7.581 19476
60 1 1 . 1 1 17 17 CYS H H 17 7.823 7.823 7.826 -0.003 19476
61 1 2 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.714 -2.473 19476
62 1 2 . 1 1 2 2 GLY H H 2 8.945 8.945 8.355 0.590 19476
63 1 2 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.714 -0.217 19476
64 1 2 . 1 1 3 3 CYS CA C 3 55.630 55.630 58.408 -2.778 19476
65 1 2 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.619 12.883 19476
66 1 2 . 1 1 3 3 CYS H H 3 8.910 8.910 8.430 0.480 19476
67 1 2 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.489 -0.059 19476
68 1 2 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.287 -6.195 19476
69 1 2 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.591 8.629 19476
70 1 2 . 1 1 4 4 CYS H H 4 8.773 8.773 8.763 0.010 19476
71 1 2 . 1 1 5 5 SER HA H 5 4.518 4.518 4.422 0.096 19476
72 1 2 . 1 1 5 5 SER CA C 5 55.783 55.783 58.426 -2.643 19476
73 1 2 . 1 1 5 5 SER CB C 5 60.742 60.742 63.656 -2.914 19476
74 1 2 . 1 1 5 5 SER H H 5 7.798 7.798 8.106 -0.308 19476
75 1 2 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.024 0.271 19476
76 1 2 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.878 -5.810 19476
77 1 2 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.410 -0.482 19476
78 1 2 . 1 1 6 6 ASN H H 6 8.073 8.073 8.295 -0.222 19476
79 1 2 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.345 -0.228 19476
80 1 2 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.374 -2.282 19476
81 1 2 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.985 -2.707 19476
82 1 2 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.392 -0.243 19476
83 1 2 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.941 -2.059 19476
84 1 2 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.339 -3.126 19476
85 1 2 . 1 1 8 8 ALA H H 8 7.807 7.807 8.316 -0.509 19476
86 1 2 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.526 -0.131 19476
87 1 2 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.856 -1.758 19476
88 1 2 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.157 11.229 19476
89 1 2 . 1 1 9 9 CYS H H 9 8.114 8.114 8.015 0.099 19476
90 1 2 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.884 0.113 19476
91 1 2 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.593 -2.777 19476
92 1 2 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.816 -2.266 19476
93 1 2 . 1 1 10 10 ARG H H 10 8.855 8.855 7.760 1.095 19476
94 1 2 . 1 1 11 11 THR HA H 11 3.891 3.891 4.130 -0.239 19476
95 1 2 . 1 1 11 11 THR CA C 11 62.717 62.717 64.732 -2.015 19476
96 1 2 . 1 1 11 11 THR CB C 11 66.074 66.074 68.309 -2.235 19476
97 1 2 . 1 1 11 11 THR H H 11 7.934 7.934 7.827 0.107 19476
98 1 2 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.692 -0.088 19476
99 1 2 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.521 -2.496 19476
100 1 2 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.222 -3.644 19476
101 1 2 . 1 1 12 12 ASN H H 12 7.538 7.538 7.703 -0.165 19476
102 1 2 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.042 0.422 19476
103 1 2 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.901 -2.717 19476
104 1 2 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.202 -3.489 19476
105 1 2 . 1 1 13 13 HIS H H 13 7.818 7.818 8.218 -0.400 19476
106 1 2 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.238 0.170 19476
107 1 2 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.304 -1.989 19476
108 1 2 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.174 -3.807 19476
109 1 2 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.090 0.233 19476
110 1 2 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.482 -2.978 19476
111 1 2 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.029 -4.673 19476
112 1 2 . 1 1 15 15 GLU H H 15 9.729 9.729 8.481 1.248 19476
113 1 2 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.918 0.316 19476
114 1 2 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.786 -4.370 19476
115 1 2 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.096 -2.030 19476
116 1 2 . 1 1 16 16 VAL H H 16 7.514 7.514 7.467 0.047 19476
117 1 2 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.587 0.346 19476
118 1 2 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.160 -7.375 19476
119 1 2 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.429 7.179 19476
120 1 2 . 1 1 17 17 CYS H H 17 7.823 7.823 7.744 0.079 19476
121 1 3 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.696 -3.455 19476
122 1 3 . 1 1 2 2 GLY H H 2 8.945 8.945 8.854 0.091 19476
123 1 3 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.860 -0.363 19476
124 1 3 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.046 -1.416 19476
125 1 3 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.007 12.495 19476
126 1 3 . 1 1 3 3 CYS H H 3 8.910 8.910 8.257 0.653 19476
127 1 3 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.522 -0.092 19476
128 1 3 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.203 -6.111 19476
129 1 3 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.580 8.640 19476
130 1 3 . 1 1 4 4 CYS H H 4 8.773 8.773 8.365 0.408 19476
131 1 3 . 1 1 5 5 SER HA H 5 4.518 4.518 4.543 -0.025 19476
132 1 3 . 1 1 5 5 SER CA C 5 55.783 55.783 58.507 -2.724 19476
133 1 3 . 1 1 5 5 SER CB C 5 60.742 60.742 64.317 -3.575 19476
134 1 3 . 1 1 5 5 SER H H 5 7.798 7.798 8.089 -0.291 19476
135 1 3 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.115 0.180 19476
136 1 3 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.942 -4.874 19476
137 1 3 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.261 -1.333 19476
138 1 3 . 1 1 6 6 ASN H H 6 8.073 8.073 8.472 -0.399 19476
139 1 3 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.267 -0.150 19476
140 1 3 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.320 -2.228 19476
141 1 3 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.920 -2.642 19476
142 1 3 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.430 -0.281 19476
143 1 3 . 1 1 8 8 ALA CA C 8 51.882 51.882 54.133 -2.251 19476
144 1 3 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.163 -2.950 19476
145 1 3 . 1 1 8 8 ALA H H 8 7.807 7.807 8.191 -0.384 19476
146 1 3 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.442 -0.047 19476
147 1 3 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.227 -2.130 19476
148 1 3 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.960 11.425 19476
149 1 3 . 1 1 9 9 CYS H H 9 8.114 8.114 8.221 -0.107 19476
150 1 3 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.974 0.023 19476
151 1 3 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.594 -2.779 19476
152 1 3 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.991 -2.441 19476
153 1 3 . 1 1 10 10 ARG H H 10 8.855 8.855 7.661 1.194 19476
154 1 3 . 1 1 11 11 THR HA H 11 3.891 3.891 4.152 -0.261 19476
155 1 3 . 1 1 11 11 THR CA C 11 62.717 62.717 64.829 -2.112 19476
156 1 3 . 1 1 11 11 THR CB C 11 66.074 66.074 68.667 -2.593 19476
157 1 3 . 1 1 11 11 THR H H 11 7.934 7.934 7.893 0.041 19476
158 1 3 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.770 -0.166 19476
159 1 3 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.822 -2.797 19476
160 1 3 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.777 -3.199 19476
161 1 3 . 1 1 12 12 ASN H H 12 7.538 7.538 7.923 -0.385 19476
162 1 3 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.017 0.447 19476
163 1 3 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.001 -2.817 19476
164 1 3 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.594 -3.881 19476
165 1 3 . 1 1 13 13 HIS H H 13 7.818 7.818 7.864 -0.046 19476
166 1 3 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.338 0.070 19476
167 1 3 . 1 1 14 14 PRO CA C 14 62.315 62.315 63.768 -1.453 19476
168 1 3 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.271 -3.904 19476
169 1 3 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.142 0.181 19476
170 1 3 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.569 -3.065 19476
171 1 3 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.290 -4.934 19476
172 1 3 . 1 1 15 15 GLU H H 15 9.729 9.729 8.483 1.246 19476
173 1 3 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.218 0.016 19476
174 1 3 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.526 -2.110 19476
175 1 3 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.160 -1.094 19476
176 1 3 . 1 1 16 16 VAL H H 16 7.514 7.514 7.587 -0.073 19476
177 1 3 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.754 0.179 19476
178 1 3 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.443 -7.658 19476
179 1 3 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.743 6.865 19476
180 1 3 . 1 1 17 17 CYS H H 17 7.823 7.823 7.801 0.022 19476
181 1 4 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.398 -3.157 19476
182 1 4 . 1 1 2 2 GLY H H 2 8.945 8.945 8.649 0.296 19476
183 1 4 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.775 -0.278 19476
184 1 4 . 1 1 3 3 CYS CA C 3 55.630 55.630 58.034 -2.404 19476
185 1 4 . 1 1 3 3 CYS CB C 3 39.502 39.502 28.384 11.118 19476
186 1 4 . 1 1 3 3 CYS H H 3 8.910 8.910 8.313 0.597 19476
187 1 4 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.490 -0.060 19476
188 1 4 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.316 -6.224 19476
189 1 4 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.647 8.573 19476
190 1 4 . 1 1 4 4 CYS H H 4 8.773 8.773 8.759 0.014 19476
191 1 4 . 1 1 5 5 SER HA H 5 4.518 4.518 4.411 0.107 19476
192 1 4 . 1 1 5 5 SER CA C 5 55.783 55.783 58.657 -2.874 19476
193 1 4 . 1 1 5 5 SER CB C 5 60.742 60.742 63.634 -2.892 19476
194 1 4 . 1 1 5 5 SER H H 5 7.798 7.798 8.378 -0.580 19476
195 1 4 . 1 1 6 6 ASN HA H 6 5.295 5.295 4.990 0.305 19476
196 1 4 . 1 1 6 6 ASN CA C 6 47.068 47.068 53.014 -5.946 19476
197 1 4 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.147 -1.219 19476
198 1 4 . 1 1 6 6 ASN H H 6 8.073 8.073 8.461 -0.388 19476
199 1 4 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.446 -0.329 19476
200 1 4 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.430 -1.338 19476
201 1 4 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.791 -2.513 19476
202 1 4 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.451 -0.302 19476
203 1 4 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.849 -1.967 19476
204 1 4 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.387 -3.174 19476
205 1 4 . 1 1 8 8 ALA H H 8 7.807 7.807 8.017 -0.210 19476
206 1 4 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.468 -0.073 19476
207 1 4 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.198 -2.100 19476
208 1 4 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.055 11.330 19476
209 1 4 . 1 1 9 9 CYS H H 9 8.114 8.114 8.201 -0.087 19476
210 1 4 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.957 0.040 19476
211 1 4 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.662 -2.846 19476
212 1 4 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.040 -2.490 19476
213 1 4 . 1 1 10 10 ARG H H 10 8.855 8.855 7.811 1.044 19476
214 1 4 . 1 1 11 11 THR HA H 11 3.891 3.891 4.137 -0.246 19476
215 1 4 . 1 1 11 11 THR CA C 11 62.717 62.717 64.410 -1.693 19476
216 1 4 . 1 1 11 11 THR CB C 11 66.074 66.074 68.505 -2.431 19476
217 1 4 . 1 1 11 11 THR H H 11 7.934 7.934 7.821 0.113 19476
218 1 4 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.725 -0.121 19476
219 1 4 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.668 -2.643 19476
220 1 4 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.755 -3.177 19476
221 1 4 . 1 1 12 12 ASN H H 12 7.538 7.538 7.843 -0.305 19476
222 1 4 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.028 0.436 19476
223 1 4 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.745 -2.561 19476
224 1 4 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.438 -3.725 19476
225 1 4 . 1 1 13 13 HIS H H 13 7.818 7.818 8.123 -0.305 19476
226 1 4 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.263 0.145 19476
227 1 4 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.304 -1.989 19476
228 1 4 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.279 -3.912 19476
229 1 4 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.141 0.182 19476
230 1 4 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.494 -2.990 19476
231 1 4 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.113 -4.757 19476
232 1 4 . 1 1 15 15 GLU H H 15 9.729 9.729 8.300 1.429 19476
233 1 4 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.846 0.388 19476
234 1 4 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.922 -4.506 19476
235 1 4 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.738 -1.672 19476
236 1 4 . 1 1 16 16 VAL H H 16 7.514 7.514 7.760 -0.246 19476
237 1 4 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.350 0.583 19476
238 1 4 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.734 -7.949 19476
239 1 4 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.124 8.484 19476
240 1 4 . 1 1 17 17 CYS H H 17 7.823 7.823 7.340 0.483 19476
241 1 5 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.895 -2.654 19476
242 1 5 . 1 1 2 2 GLY H H 2 8.945 8.945 8.359 0.586 19476
243 1 5 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.706 -0.209 19476
244 1 5 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.542 -1.912 19476
245 1 5 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.801 12.701 19476
246 1 5 . 1 1 3 3 CYS H H 3 8.910 8.910 8.102 0.808 19476
247 1 5 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.516 -0.086 19476
248 1 5 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.975 -5.883 19476
249 1 5 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.659 8.561 19476
250 1 5 . 1 1 4 4 CYS H H 4 8.773 8.773 8.203 0.570 19476
251 1 5 . 1 1 5 5 SER HA H 5 4.518 4.518 4.523 -0.005 19476
252 1 5 . 1 1 5 5 SER CA C 5 55.783 55.783 58.308 -2.525 19476
253 1 5 . 1 1 5 5 SER CB C 5 60.742 60.742 64.125 -3.383 19476
254 1 5 . 1 1 5 5 SER H H 5 7.798 7.798 8.003 -0.205 19476
255 1 5 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.108 0.187 19476
256 1 5 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.256 -5.188 19476
257 1 5 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.959 -1.031 19476
258 1 5 . 1 1 6 6 ASN H H 6 8.073 8.073 8.568 -0.495 19476
259 1 5 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.646 -0.529 19476
260 1 5 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.159 -0.067 19476
261 1 5 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.052 -0.774 19476
262 1 5 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.423 -0.274 19476
263 1 5 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.059 -1.177 19476
264 1 5 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.487 -4.274 19476
265 1 5 . 1 1 8 8 ALA H H 8 7.807 7.807 8.294 -0.487 19476
266 1 5 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.441 -0.046 19476
267 1 5 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.451 -2.353 19476
268 1 5 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.885 11.500 19476
269 1 5 . 1 1 9 9 CYS H H 9 8.114 8.114 8.075 0.039 19476
270 1 5 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.979 0.018 19476
271 1 5 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.851 -3.035 19476
272 1 5 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.268 -2.718 19476
273 1 5 . 1 1 10 10 ARG H H 10 8.855 8.855 7.620 1.235 19476
274 1 5 . 1 1 11 11 THR HA H 11 3.891 3.891 4.114 -0.223 19476
275 1 5 . 1 1 11 11 THR CA C 11 62.717 62.717 64.952 -2.235 19476
276 1 5 . 1 1 11 11 THR CB C 11 66.074 66.074 67.792 -1.718 19476
277 1 5 . 1 1 11 11 THR H H 11 7.934 7.934 8.214 -0.280 19476
278 1 5 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.750 -0.146 19476
279 1 5 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.535 -2.510 19476
280 1 5 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.677 -4.099 19476
281 1 5 . 1 1 12 12 ASN H H 12 7.538 7.538 7.727 -0.189 19476
282 1 5 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.016 0.448 19476
283 1 5 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.457 -3.273 19476
284 1 5 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.067 -3.354 19476
285 1 5 . 1 1 13 13 HIS H H 13 7.818 7.818 8.342 -0.524 19476
286 1 5 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.279 0.129 19476
287 1 5 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.379 -2.064 19476
288 1 5 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.160 -3.793 19476
289 1 5 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.122 0.201 19476
290 1 5 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.908 -2.404 19476
291 1 5 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.459 -4.103 19476
292 1 5 . 1 1 15 15 GLU H H 15 9.729 9.729 8.496 1.233 19476
293 1 5 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.815 0.419 19476
294 1 5 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.447 -4.031 19476
295 1 5 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.205 -2.139 19476
296 1 5 . 1 1 16 16 VAL H H 16 7.514 7.514 7.417 0.097 19476
297 1 5 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.810 0.123 19476
298 1 5 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.661 -6.876 19476
299 1 5 . 1 1 17 17 CYS CB C 17 36.608 36.608 30.781 5.827 19476
300 1 5 . 1 1 17 17 CYS H H 17 7.823 7.823 8.013 -0.190 19476
301 1 6 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.707 -3.466 19476
302 1 6 . 1 1 2 2 GLY H H 2 8.945 8.945 8.823 0.122 19476
303 1 6 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.912 -0.415 19476
304 1 6 . 1 1 3 3 CYS CA C 3 55.630 55.630 56.899 -1.269 19476
305 1 6 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.260 12.242 19476
306 1 6 . 1 1 3 3 CYS H H 3 8.910 8.910 8.108 0.802 19476
307 1 6 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.467 -0.037 19476
308 1 6 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.764 -6.672 19476
309 1 6 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.363 8.857 19476
310 1 6 . 1 1 4 4 CYS H H 4 8.773 8.773 8.367 0.406 19476
311 1 6 . 1 1 5 5 SER HA H 5 4.518 4.518 4.399 0.119 19476
312 1 6 . 1 1 5 5 SER CA C 5 55.783 55.783 58.460 -2.677 19476
313 1 6 . 1 1 5 5 SER CB C 5 60.742 60.742 63.700 -2.958 19476
314 1 6 . 1 1 5 5 SER H H 5 7.798 7.798 8.616 -0.818 19476
315 1 6 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.094 0.201 19476
316 1 6 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.305 -4.237 19476
317 1 6 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.769 -0.841 19476
318 1 6 . 1 1 6 6 ASN H H 6 8.073 8.073 8.279 -0.206 19476
319 1 6 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.569 -0.452 19476
320 1 6 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.142 -0.050 19476
321 1 6 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.631 -1.353 19476
322 1 6 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.390 -0.241 19476
323 1 6 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.302 -1.420 19476
324 1 6 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.597 -4.384 19476
325 1 6 . 1 1 8 8 ALA H H 8 7.807 7.807 8.121 -0.314 19476
326 1 6 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.604 -0.209 19476
327 1 6 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.035 -1.937 19476
328 1 6 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.362 11.023 19476
329 1 6 . 1 1 9 9 CYS H H 9 8.114 8.114 8.002 0.112 19476
330 1 6 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.933 0.064 19476
331 1 6 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.813 -2.997 19476
332 1 6 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.308 -2.758 19476
333 1 6 . 1 1 10 10 ARG H H 10 8.855 8.855 7.611 1.244 19476
334 1 6 . 1 1 11 11 THR HA H 11 3.891 3.891 4.095 -0.204 19476
335 1 6 . 1 1 11 11 THR CA C 11 62.717 62.717 65.465 -2.748 19476
336 1 6 . 1 1 11 11 THR CB C 11 66.074 66.074 68.132 -2.058 19476
337 1 6 . 1 1 11 11 THR H H 11 7.934 7.934 8.552 -0.618 19476
338 1 6 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.822 -0.218 19476
339 1 6 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.708 -2.683 19476
340 1 6 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.937 -3.359 19476
341 1 6 . 1 1 12 12 ASN H H 12 7.538 7.538 7.886 -0.348 19476
342 1 6 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.057 0.407 19476
343 1 6 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.757 -2.573 19476
344 1 6 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.247 -3.534 19476
345 1 6 . 1 1 13 13 HIS H H 13 7.818 7.818 8.167 -0.349 19476
346 1 6 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.314 0.094 19476
347 1 6 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.120 -1.805 19476
348 1 6 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.194 -3.827 19476
349 1 6 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.177 0.146 19476
350 1 6 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.998 -2.494 19476
351 1 6 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.990 -4.634 19476
352 1 6 . 1 1 15 15 GLU H H 15 9.729 9.729 8.315 1.414 19476
353 1 6 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.069 0.165 19476
354 1 6 . 1 1 16 16 VAL CA C 16 60.416 60.416 63.177 -2.761 19476
355 1 6 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.173 -1.107 19476
356 1 6 . 1 1 16 16 VAL H H 16 7.514 7.514 7.632 -0.118 19476
357 1 6 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.652 0.281 19476
358 1 6 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.828 -7.043 19476
359 1 6 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.172 7.436 19476
360 1 6 . 1 1 17 17 CYS H H 17 7.823 7.823 7.643 0.180 19476
361 1 7 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.131 -2.890 19476
362 1 7 . 1 1 2 2 GLY H H 2 8.945 8.945 8.528 0.417 19476
363 1 7 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.979 -0.482 19476
364 1 7 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.227 -1.597 19476
365 1 7 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.113 13.389 19476
366 1 7 . 1 1 3 3 CYS H H 3 8.910 8.910 7.786 1.124 19476
367 1 7 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.832 -0.402 19476
368 1 7 . 1 1 4 4 CYS CA C 4 53.092 53.092 56.397 -3.305 19476
369 1 7 . 1 1 4 4 CYS CB C 4 33.220 33.220 26.293 6.927 19476
370 1 7 . 1 1 4 4 CYS H H 4 8.773 8.773 8.003 0.770 19476
371 1 7 . 1 1 5 5 SER HA H 5 4.518 4.518 4.413 0.105 19476
372 1 7 . 1 1 5 5 SER CA C 5 55.783 55.783 58.701 -2.918 19476
373 1 7 . 1 1 5 5 SER CB C 5 60.742 60.742 63.430 -2.688 19476
374 1 7 . 1 1 5 5 SER H H 5 7.798 7.798 8.568 -0.770 19476
375 1 7 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.233 0.062 19476
376 1 7 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.199 -3.131 19476
377 1 7 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.974 -2.046 19476
378 1 7 . 1 1 6 6 ASN H H 6 8.073 8.073 8.098 -0.025 19476
379 1 7 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.492 -0.375 19476
380 1 7 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.605 -0.513 19476
381 1 7 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.528 -2.250 19476
382 1 7 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.300 -0.151 19476
383 1 7 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.852 -1.970 19476
384 1 7 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.905 -3.692 19476
385 1 7 . 1 1 8 8 ALA H H 8 7.807 7.807 7.958 -0.151 19476
386 1 7 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.378 0.017 19476
387 1 7 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.822 -1.724 19476
388 1 7 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.348 12.037 19476
389 1 7 . 1 1 9 9 CYS H H 9 8.114 8.114 8.112 0.002 19476
390 1 7 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.175 -0.178 19476
391 1 7 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.456 -2.640 19476
392 1 7 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.046 -2.496 19476
393 1 7 . 1 1 10 10 ARG H H 10 8.855 8.855 7.747 1.108 19476
394 1 7 . 1 1 11 11 THR HA H 11 3.891 3.891 4.116 -0.225 19476
395 1 7 . 1 1 11 11 THR CA C 11 62.717 62.717 64.472 -1.755 19476
396 1 7 . 1 1 11 11 THR CB C 11 66.074 66.074 68.307 -2.233 19476
397 1 7 . 1 1 11 11 THR H H 11 7.934 7.934 8.071 -0.137 19476
398 1 7 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.604 0.000 19476
399 1 7 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.780 -2.755 19476
400 1 7 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.609 -3.031 19476
401 1 7 . 1 1 12 12 ASN H H 12 7.538 7.538 7.536 0.002 19476
402 1 7 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.993 0.471 19476
403 1 7 . 1 1 13 13 HIS CA C 13 51.184 51.184 52.465 -1.282 19476
404 1 7 . 1 1 13 13 HIS CB C 13 25.713 25.713 27.830 -2.117 19476
405 1 7 . 1 1 13 13 HIS H H 13 7.818 7.818 7.660 0.158 19476
406 1 7 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.617 -0.208 19476
407 1 7 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.448 -2.132 19476
408 1 7 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.506 -4.139 19476
409 1 7 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.272 0.051 19476
410 1 7 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.655 -2.151 19476
411 1 7 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.462 -5.106 19476
412 1 7 . 1 1 15 15 GLU H H 15 9.729 9.729 8.772 0.957 19476
413 1 7 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.843 0.391 19476
414 1 7 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.476 -4.060 19476
415 1 7 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.195 -2.129 19476
416 1 7 . 1 1 16 16 VAL H H 16 7.514 7.514 7.930 -0.416 19476
417 1 7 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.511 0.422 19476
418 1 7 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.894 -7.109 19476
419 1 7 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.231 7.377 19476
420 1 7 . 1 1 17 17 CYS H H 17 7.823 7.823 7.921 -0.098 19476
421 1 8 . 1 1 2 2 GLY CA C 2 42.241 42.241 46.029 -3.788 19476
422 1 8 . 1 1 2 2 GLY H H 2 8.945 8.945 8.455 0.490 19476
423 1 8 . 1 1 3 3 CYS HA H 3 4.497 4.497 5.064 -0.567 19476
424 1 8 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.147 -1.517 19476
425 1 8 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.340 12.162 19476
426 1 8 . 1 1 3 3 CYS H H 3 8.910 8.910 7.922 0.988 19476
427 1 8 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.541 -0.111 19476
428 1 8 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.747 -5.655 19476
429 1 8 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.809 8.411 19476
430 1 8 . 1 1 4 4 CYS H H 4 8.773 8.773 8.316 0.457 19476
431 1 8 . 1 1 5 5 SER HA H 5 4.518 4.518 4.384 0.134 19476
432 1 8 . 1 1 5 5 SER CA C 5 55.783 55.783 58.362 -2.579 19476
433 1 8 . 1 1 5 5 SER CB C 5 60.742 60.742 63.612 -2.870 19476
434 1 8 . 1 1 5 5 SER H H 5 7.798 7.798 8.740 -0.942 19476
435 1 8 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.135 0.160 19476
436 1 8 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.859 -3.792 19476
437 1 8 . 1 1 6 6 ASN CB C 6 37.928 37.928 40.624 -2.696 19476
438 1 8 . 1 1 6 6 ASN H H 6 8.073 8.073 8.076 -0.003 19476
439 1 8 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.608 -0.491 19476
440 1 8 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.700 -0.608 19476
441 1 8 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.134 -1.855 19476
442 1 8 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.338 -0.189 19476
443 1 8 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.458 -1.576 19476
444 1 8 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.775 -3.562 19476
445 1 8 . 1 1 8 8 ALA H H 8 7.807 7.807 8.228 -0.421 19476
446 1 8 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.118 0.277 19476
447 1 8 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.362 -2.264 19476
448 1 8 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.141 12.244 19476
449 1 8 . 1 1 9 9 CYS H H 9 8.114 8.114 8.323 -0.209 19476
450 1 8 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.985 0.012 19476
451 1 8 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.638 -2.821 19476
452 1 8 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.239 -2.689 19476
453 1 8 . 1 1 10 10 ARG H H 10 8.855 8.855 7.503 1.352 19476
454 1 8 . 1 1 11 11 THR HA H 11 3.891 3.891 4.157 -0.266 19476
455 1 8 . 1 1 11 11 THR CA C 11 62.717 62.717 64.962 -2.245 19476
456 1 8 . 1 1 11 11 THR CB C 11 66.074 66.074 68.000 -1.926 19476
457 1 8 . 1 1 11 11 THR H H 11 7.934 7.934 8.183 -0.249 19476
458 1 8 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.672 -0.068 19476
459 1 8 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.545 -2.520 19476
460 1 8 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.302 -3.724 19476
461 1 8 . 1 1 12 12 ASN H H 12 7.538 7.538 7.517 0.021 19476
462 1 8 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.117 0.347 19476
463 1 8 . 1 1 13 13 HIS CA C 13 51.184 51.184 52.295 -1.111 19476
464 1 8 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.463 -3.750 19476
465 1 8 . 1 1 13 13 HIS H H 13 7.818 7.818 7.514 0.304 19476
466 1 8 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.586 -0.178 19476
467 1 8 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.376 -2.061 19476
468 1 8 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.559 -4.192 19476
469 1 8 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.170 0.153 19476
470 1 8 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.536 -3.032 19476
471 1 8 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.122 -4.766 19476
472 1 8 . 1 1 15 15 GLU H H 15 9.729 9.729 8.547 1.182 19476
473 1 8 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.845 0.389 19476
474 1 8 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.133 -4.717 19476
475 1 8 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.048 -1.982 19476
476 1 8 . 1 1 16 16 VAL H H 16 7.514 7.514 7.924 -0.410 19476
477 1 8 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.532 0.401 19476
478 1 8 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.757 -6.972 19476
479 1 8 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.792 7.816 19476
480 1 8 . 1 1 17 17 CYS H H 17 7.823 7.823 7.844 -0.021 19476
481 1 9 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.944 -2.703 19476
482 1 9 . 1 1 2 2 GLY H H 2 8.945 8.945 8.317 0.628 19476
483 1 9 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.819 -0.322 19476
484 1 9 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.758 -2.127 19476
485 1 9 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.902 12.600 19476
486 1 9 . 1 1 3 3 CYS H H 3 8.910 8.910 7.962 0.948 19476
487 1 9 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.646 -0.216 19476
488 1 9 . 1 1 4 4 CYS CA C 4 53.092 53.092 57.709 -4.617 19476
489 1 9 . 1 1 4 4 CYS CB C 4 33.220 33.220 25.291 7.928 19476
490 1 9 . 1 1 4 4 CYS H H 4 8.773 8.773 7.904 0.869 19476
491 1 9 . 1 1 5 5 SER HA H 5 4.518 4.518 4.373 0.145 19476
492 1 9 . 1 1 5 5 SER CA C 5 55.783 55.783 59.366 -3.583 19476
493 1 9 . 1 1 5 5 SER CB C 5 60.742 60.742 63.507 -2.765 19476
494 1 9 . 1 1 5 5 SER H H 5 7.798 7.798 8.563 -0.765 19476
495 1 9 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.262 0.033 19476
496 1 9 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.591 -3.523 19476
497 1 9 . 1 1 6 6 ASN CB C 6 37.928 37.928 40.204 -2.276 19476
498 1 9 . 1 1 6 6 ASN H H 6 8.073 8.073 7.661 0.412 19476
499 1 9 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.496 -0.379 19476
500 1 9 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.706 -1.614 19476
501 1 9 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.189 -2.911 19476
502 1 9 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.345 -0.196 19476
503 1 9 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.582 -1.700 19476
504 1 9 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.714 -3.501 19476
505 1 9 . 1 1 8 8 ALA H H 8 7.807 7.807 7.893 -0.086 19476
506 1 9 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.379 0.016 19476
507 1 9 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.775 -1.677 19476
508 1 9 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.118 11.267 19476
509 1 9 . 1 1 9 9 CYS H H 9 8.114 8.114 7.792 0.322 19476
510 1 9 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.949 0.048 19476
511 1 9 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.640 -2.824 19476
512 1 9 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.919 -2.369 19476
513 1 9 . 1 1 10 10 ARG H H 10 8.855 8.855 7.770 1.085 19476
514 1 9 . 1 1 11 11 THR HA H 11 3.891 3.891 4.038 -0.147 19476
515 1 9 . 1 1 11 11 THR CA C 11 62.717 62.717 65.056 -2.339 19476
516 1 9 . 1 1 11 11 THR CB C 11 66.074 66.074 68.408 -2.334 19476
517 1 9 . 1 1 11 11 THR H H 11 7.934 7.934 7.846 0.088 19476
518 1 9 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.562 0.042 19476
519 1 9 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.744 -2.719 19476
520 1 9 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.034 -2.456 19476
521 1 9 . 1 1 12 12 ASN H H 12 7.538 7.538 7.398 0.140 19476
522 1 9 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.936 0.528 19476
523 1 9 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.599 -2.415 19476
524 1 9 . 1 1 13 13 HIS CB C 13 25.713 25.713 27.904 -2.191 19476
525 1 9 . 1 1 13 13 HIS H H 13 7.818 7.818 7.687 0.131 19476
526 1 9 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.626 -0.218 19476
527 1 9 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.229 -1.914 19476
528 1 9 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.404 -4.037 19476
529 1 9 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.188 0.135 19476
530 1 9 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.537 -3.033 19476
531 1 9 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.996 -4.640 19476
532 1 9 . 1 1 15 15 GLU H H 15 9.729 9.729 8.741 0.988 19476
533 1 9 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.844 0.390 19476
534 1 9 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.173 -4.757 19476
535 1 9 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.914 -1.848 19476
536 1 9 . 1 1 16 16 VAL H H 16 7.514 7.514 8.149 -0.635 19476
537 1 9 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.524 0.409 19476
538 1 9 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.580 -6.795 19476
539 1 9 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.917 7.691 19476
540 1 9 . 1 1 17 17 CYS H H 17 7.823 7.823 7.904 -0.081 19476
541 1 10 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.025 -2.784 19476
542 1 10 . 1 1 2 2 GLY H H 2 8.945 8.945 8.576 0.369 19476
543 1 10 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.708 -0.211 19476
544 1 10 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.124 -1.494 19476
545 1 10 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.729 12.773 19476
546 1 10 . 1 1 3 3 CYS H H 3 8.910 8.910 8.072 0.838 19476
547 1 10 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.524 -0.094 19476
548 1 10 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.064 -5.972 19476
549 1 10 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.641 8.579 19476
550 1 10 . 1 1 4 4 CYS H H 4 8.773 8.773 8.254 0.519 19476
551 1 10 . 1 1 5 5 SER HA H 5 4.518 4.518 4.491 0.027 19476
552 1 10 . 1 1 5 5 SER CA C 5 55.783 55.783 58.550 -2.767 19476
553 1 10 . 1 1 5 5 SER CB C 5 60.742 60.742 63.969 -3.227 19476
554 1 10 . 1 1 5 5 SER H H 5 7.798 7.798 8.376 -0.578 19476
555 1 10 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.104 0.191 19476
556 1 10 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.780 -4.712 19476
557 1 10 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.048 -1.120 19476
558 1 10 . 1 1 6 6 ASN H H 6 8.073 8.073 8.423 -0.350 19476
559 1 10 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.508 -0.391 19476
560 1 10 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.105 -0.013 19476
561 1 10 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.698 -1.420 19476
562 1 10 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.383 -0.234 19476
563 1 10 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.315 -1.433 19476
564 1 10 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.619 -4.406 19476
565 1 10 . 1 1 8 8 ALA H H 8 7.807 7.807 8.059 -0.252 19476
566 1 10 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.687 -0.292 19476
567 1 10 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.610 -1.512 19476
568 1 10 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.692 10.693 19476
569 1 10 . 1 1 9 9 CYS H H 9 8.114 8.114 7.894 0.220 19476
570 1 10 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.035 -0.038 19476
571 1 10 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.905 -3.089 19476
572 1 10 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.366 -2.817 19476
573 1 10 . 1 1 10 10 ARG H H 10 8.855 8.855 7.657 1.198 19476
574 1 10 . 1 1 11 11 THR HA H 11 3.891 3.891 4.171 -0.280 19476
575 1 10 . 1 1 11 11 THR CA C 11 62.717 62.717 64.707 -1.990 19476
576 1 10 . 1 1 11 11 THR CB C 11 66.074 66.074 67.816 -1.742 19476
577 1 10 . 1 1 11 11 THR H H 11 7.934 7.934 8.152 -0.218 19476
578 1 10 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.776 -0.172 19476
579 1 10 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.388 -2.363 19476
580 1 10 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.276 -3.698 19476
581 1 10 . 1 1 12 12 ASN H H 12 7.538 7.538 7.889 -0.351 19476
582 1 10 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.986 0.478 19476
583 1 10 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.379 -3.195 19476
584 1 10 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.119 -3.405 19476
585 1 10 . 1 1 13 13 HIS H H 13 7.818 7.818 8.221 -0.403 19476
586 1 10 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.309 0.099 19476
587 1 10 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.067 -1.752 19476
588 1 10 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.215 -3.848 19476
589 1 10 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.121 0.202 19476
590 1 10 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.933 -2.429 19476
591 1 10 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.074 -4.718 19476
592 1 10 . 1 1 15 15 GLU H H 15 9.729 9.729 8.295 1.434 19476
593 1 10 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.766 0.468 19476
594 1 10 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.325 -4.909 19476
595 1 10 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.865 -1.799 19476
596 1 10 . 1 1 16 16 VAL H H 16 7.514 7.514 7.779 -0.265 19476
597 1 10 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.585 0.348 19476
598 1 10 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.720 -6.935 19476
599 1 10 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.268 8.340 19476
600 1 10 . 1 1 17 17 CYS H H 17 7.823 7.823 7.877 -0.054 19476
601 1 11 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.967 -2.726 19476
602 1 11 . 1 1 2 2 GLY H H 2 8.945 8.945 8.443 0.502 19476
603 1 11 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.683 -0.186 19476
604 1 11 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.980 -2.350 19476
605 1 11 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.844 11.658 19476
606 1 11 . 1 1 3 3 CYS H H 3 8.910 8.910 7.996 0.914 19476
607 1 11 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.577 -0.147 19476
608 1 11 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.340 -6.248 19476
609 1 11 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.479 8.741 19476
610 1 11 . 1 1 4 4 CYS H H 4 8.773 8.773 8.412 0.361 19476
611 1 11 . 1 1 5 5 SER HA H 5 4.518 4.518 4.483 0.035 19476
612 1 11 . 1 1 5 5 SER CA C 5 55.783 55.783 58.888 -3.105 19476
613 1 11 . 1 1 5 5 SER CB C 5 60.742 60.742 63.607 -2.865 19476
614 1 11 . 1 1 5 5 SER H H 5 7.798 7.798 8.168 -0.370 19476
615 1 11 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.108 0.187 19476
616 1 11 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.543 -4.475 19476
617 1 11 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.292 -0.364 19476
618 1 11 . 1 1 6 6 ASN H H 6 8.073 8.073 8.606 -0.533 19476
619 1 11 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.586 -0.469 19476
620 1 11 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.397 -0.305 19476
621 1 11 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.181 -0.903 19476
622 1 11 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.360 -0.211 19476
623 1 11 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.258 -1.376 19476
624 1 11 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.564 -4.351 19476
625 1 11 . 1 1 8 8 ALA H H 8 7.807 7.807 8.080 -0.273 19476
626 1 11 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.395 -0.000 19476
627 1 11 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.381 -2.283 19476
628 1 11 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.965 11.420 19476
629 1 11 . 1 1 9 9 CYS H H 9 8.114 8.114 8.140 -0.026 19476
630 1 11 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.218 -0.221 19476
631 1 11 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.719 -2.903 19476
632 1 11 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.635 -3.085 19476
633 1 11 . 1 1 10 10 ARG H H 10 8.855 8.855 7.581 1.274 19476
634 1 11 . 1 1 11 11 THR HA H 11 3.891 3.891 4.329 -0.438 19476
635 1 11 . 1 1 11 11 THR CA C 11 62.717 62.717 63.714 -0.997 19476
636 1 11 . 1 1 11 11 THR CB C 11 66.074 66.074 67.805 -1.730 19476
637 1 11 . 1 1 11 11 THR H H 11 7.934 7.934 8.533 -0.599 19476
638 1 11 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.839 -0.235 19476
639 1 11 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.501 -2.476 19476
640 1 11 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.070 -3.492 19476
641 1 11 . 1 1 12 12 ASN H H 12 7.538 7.538 7.649 -0.111 19476
642 1 11 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.960 0.504 19476
643 1 11 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.401 -3.217 19476
644 1 11 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.745 -3.033 19476
645 1 11 . 1 1 13 13 HIS H H 13 7.818 7.818 8.413 -0.595 19476
646 1 11 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.313 0.095 19476
647 1 11 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.123 -1.808 19476
648 1 11 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.120 -3.753 19476
649 1 11 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.075 0.248 19476
650 1 11 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.447 -2.943 19476
651 1 11 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.035 -4.679 19476
652 1 11 . 1 1 15 15 GLU H H 15 9.729 9.729 8.246 1.483 19476
653 1 11 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.726 0.508 19476
654 1 11 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.666 -4.250 19476
655 1 11 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.265 -2.199 19476
656 1 11 . 1 1 16 16 VAL H H 16 7.514 7.514 7.602 -0.088 19476
657 1 11 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.712 0.221 19476
658 1 11 . 1 1 17 17 CYS CA C 17 51.785 51.785 57.733 -5.948 19476
659 1 11 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.454 8.154 19476
660 1 11 . 1 1 17 17 CYS H H 17 7.823 7.823 7.770 0.053 19476
661 1 12 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.018 -2.777 19476
662 1 12 . 1 1 2 2 GLY H H 2 8.945 8.945 8.535 0.410 19476
663 1 12 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.690 -0.193 19476
664 1 12 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.851 -2.221 19476
665 1 12 . 1 1 3 3 CYS CB C 3 39.502 39.502 28.015 11.487 19476
666 1 12 . 1 1 3 3 CYS H H 3 8.910 8.910 7.926 0.984 19476
667 1 12 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.516 -0.086 19476
668 1 12 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.647 -6.555 19476
669 1 12 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.381 8.839 19476
670 1 12 . 1 1 4 4 CYS H H 4 8.773 8.773 8.434 0.339 19476
671 1 12 . 1 1 5 5 SER HA H 5 4.518 4.518 4.445 0.073 19476
672 1 12 . 1 1 5 5 SER CA C 5 55.783 55.783 58.397 -2.614 19476
673 1 12 . 1 1 5 5 SER CB C 5 60.742 60.742 63.843 -3.101 19476
674 1 12 . 1 1 5 5 SER H H 5 7.798 7.798 8.551 -0.753 19476
675 1 12 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.180 0.115 19476
676 1 12 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.739 -3.671 19476
677 1 12 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.393 -1.465 19476
678 1 12 . 1 1 6 6 ASN H H 6 8.073 8.073 8.343 -0.270 19476
679 1 12 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.536 -0.419 19476
680 1 12 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.539 -0.447 19476
681 1 12 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.069 -0.791 19476
682 1 12 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.347 -0.198 19476
683 1 12 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.572 -1.690 19476
684 1 12 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.834 -4.622 19476
685 1 12 . 1 1 8 8 ALA H H 8 7.807 7.807 8.317 -0.510 19476
686 1 12 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.439 -0.044 19476
687 1 12 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.951 -1.853 19476
688 1 12 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.860 11.525 19476
689 1 12 . 1 1 9 9 CYS H H 9 8.114 8.114 8.166 -0.052 19476
690 1 12 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.160 -0.163 19476
691 1 12 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.609 -2.793 19476
692 1 12 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.572 -3.022 19476
693 1 12 . 1 1 10 10 ARG H H 10 8.855 8.855 7.660 1.195 19476
694 1 12 . 1 1 11 11 THR HA H 11 3.891 3.891 4.333 -0.442 19476
695 1 12 . 1 1 11 11 THR CA C 11 62.717 62.717 64.146 -1.429 19476
696 1 12 . 1 1 11 11 THR CB C 11 66.074 66.074 67.293 -1.220 19476
697 1 12 . 1 1 11 11 THR H H 11 7.934 7.934 8.438 -0.504 19476
698 1 12 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.836 -0.232 19476
699 1 12 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.588 -2.563 19476
700 1 12 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.903 -4.325 19476
701 1 12 . 1 1 12 12 ASN H H 12 7.538 7.538 8.106 -0.568 19476
702 1 12 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.020 0.444 19476
703 1 12 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.228 -3.044 19476
704 1 12 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.945 -3.232 19476
705 1 12 . 1 1 13 13 HIS H H 13 7.818 7.818 8.404 -0.586 19476
706 1 12 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.279 0.129 19476
707 1 12 . 1 1 14 14 PRO CA C 14 62.315 62.315 63.878 -1.563 19476
708 1 12 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.027 -3.660 19476
709 1 12 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.047 0.276 19476
710 1 12 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.480 -2.975 19476
711 1 12 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.063 -4.707 19476
712 1 12 . 1 1 15 15 GLU H H 15 9.729 9.729 8.187 1.542 19476
713 1 12 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.728 0.506 19476
714 1 12 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.314 -4.898 19476
715 1 12 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.897 -1.831 19476
716 1 12 . 1 1 16 16 VAL H H 16 7.514 7.514 7.725 -0.211 19476
717 1 12 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.540 0.393 19476
718 1 12 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.064 -6.279 19476
719 1 12 . 1 1 17 17 CYS CB C 17 36.608 36.608 27.923 8.685 19476
720 1 12 . 1 1 17 17 CYS H H 17 7.823 7.823 8.101 -0.278 19476
721 1 13 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.838 -2.597 19476
722 1 13 . 1 1 2 2 GLY H H 2 8.945 8.945 8.655 0.290 19476
723 1 13 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.718 -0.221 19476
724 1 13 . 1 1 3 3 CYS CA C 3 55.630 55.630 56.996 -1.366 19476
725 1 13 . 1 1 3 3 CYS CB C 3 39.502 39.502 25.659 13.843 19476
726 1 13 . 1 1 3 3 CYS H H 3 8.910 8.910 8.037 0.873 19476
727 1 13 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.875 -0.445 19476
728 1 13 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.053 -5.960 19476
729 1 13 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.405 8.815 19476
730 1 13 . 1 1 4 4 CYS H H 4 8.773 8.773 8.382 0.391 19476
731 1 13 . 1 1 5 5 SER HA H 5 4.518 4.518 4.420 0.098 19476
732 1 13 . 1 1 5 5 SER CA C 5 55.783 55.783 58.371 -2.588 19476
733 1 13 . 1 1 5 5 SER CB C 5 60.742 60.742 63.383 -2.641 19476
734 1 13 . 1 1 5 5 SER H H 5 7.798 7.798 8.432 -0.634 19476
735 1 13 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.043 0.252 19476
736 1 13 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.203 -5.135 19476
737 1 13 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.863 -0.935 19476
738 1 13 . 1 1 6 6 ASN H H 6 8.073 8.073 8.243 -0.170 19476
739 1 13 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.292 -0.175 19476
740 1 13 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.862 -1.770 19476
741 1 13 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.789 -2.511 19476
742 1 13 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.391 -0.242 19476
743 1 13 . 1 1 8 8 ALA CA C 8 51.882 51.882 54.123 -2.241 19476
744 1 13 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.302 -3.089 19476
745 1 13 . 1 1 8 8 ALA H H 8 7.807 7.807 8.053 -0.246 19476
746 1 13 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.456 -0.061 19476
747 1 13 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.431 -1.333 19476
748 1 13 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.954 11.431 19476
749 1 13 . 1 1 9 9 CYS H H 9 8.114 8.114 8.202 -0.088 19476
750 1 13 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.274 -0.277 19476
751 1 13 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.713 -2.897 19476
752 1 13 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.028 -2.478 19476
753 1 13 . 1 1 10 10 ARG H H 10 8.855 8.855 7.763 1.092 19476
754 1 13 . 1 1 11 11 THR HA H 11 3.891 3.891 4.143 -0.252 19476
755 1 13 . 1 1 11 11 THR CA C 11 62.717 62.717 64.679 -1.962 19476
756 1 13 . 1 1 11 11 THR CB C 11 66.074 66.074 68.606 -2.532 19476
757 1 13 . 1 1 11 11 THR H H 11 7.934 7.934 7.732 0.202 19476
758 1 13 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.768 -0.164 19476
759 1 13 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.327 -2.302 19476
760 1 13 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.834 -3.256 19476
761 1 13 . 1 1 12 12 ASN H H 12 7.538 7.538 7.856 -0.318 19476
762 1 13 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.990 0.474 19476
763 1 13 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.449 -3.265 19476
764 1 13 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.920 -3.207 19476
765 1 13 . 1 1 13 13 HIS H H 13 7.818 7.818 8.154 -0.336 19476
766 1 13 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.356 0.052 19476
767 1 13 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.569 -2.254 19476
768 1 13 . 1 1 14 14 PRO CB C 14 28.367 28.367 31.968 -3.601 19476
769 1 13 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.098 0.225 19476
770 1 13 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.275 -2.771 19476
771 1 13 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.761 -4.405 19476
772 1 13 . 1 1 15 15 GLU H H 15 9.729 9.729 8.360 1.369 19476
773 1 13 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.019 0.215 19476
774 1 13 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.681 -2.265 19476
775 1 13 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.794 -1.728 19476
776 1 13 . 1 1 16 16 VAL H H 16 7.514 7.514 7.481 0.033 19476
777 1 13 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.696 0.237 19476
778 1 13 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.441 -6.655 19476
779 1 13 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.447 7.161 19476
780 1 13 . 1 1 17 17 CYS H H 17 7.823 7.823 7.499 0.324 19476
781 1 14 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.410 -3.169 19476
782 1 14 . 1 1 2 2 GLY H H 2 8.945 8.945 8.557 0.388 19476
783 1 14 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.790 -0.293 19476
784 1 14 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.231 -1.601 19476
785 1 14 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.659 12.843 19476
786 1 14 . 1 1 3 3 CYS H H 3 8.910 8.910 8.074 0.836 19476
787 1 14 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.426 0.004 19476
788 1 14 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.665 -6.573 19476
789 1 14 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.642 8.578 19476
790 1 14 . 1 1 4 4 CYS H H 4 8.773 8.773 8.339 0.434 19476
791 1 14 . 1 1 5 5 SER HA H 5 4.518 4.518 4.492 0.026 19476
792 1 14 . 1 1 5 5 SER CA C 5 55.783 55.783 58.340 -2.557 19476
793 1 14 . 1 1 5 5 SER CB C 5 60.742 60.742 63.870 -3.128 19476
794 1 14 . 1 1 5 5 SER H H 5 7.798 7.798 8.297 -0.499 19476
795 1 14 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.082 0.213 19476
796 1 14 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.052 -4.984 19476
797 1 14 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.393 -1.465 19476
798 1 14 . 1 1 6 6 ASN H H 6 8.073 8.073 8.569 -0.496 19476
799 1 14 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.383 -0.266 19476
800 1 14 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.844 -1.752 19476
801 1 14 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.897 -2.619 19476
802 1 14 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.468 -0.319 19476
803 1 14 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.600 -1.718 19476
804 1 14 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.413 -3.200 19476
805 1 14 . 1 1 8 8 ALA H H 8 7.807 7.807 8.006 -0.199 19476
806 1 14 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.465 -0.070 19476
807 1 14 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.851 -1.753 19476
808 1 14 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.139 11.246 19476
809 1 14 . 1 1 9 9 CYS H H 9 8.114 8.114 8.191 -0.077 19476
810 1 14 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.004 -0.007 19476
811 1 14 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.596 -2.780 19476
812 1 14 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.009 -2.459 19476
813 1 14 . 1 1 10 10 ARG H H 10 8.855 8.855 7.841 1.014 19476
814 1 14 . 1 1 11 11 THR HA H 11 3.891 3.891 4.116 -0.225 19476
815 1 14 . 1 1 11 11 THR CA C 11 62.717 62.717 64.648 -1.931 19476
816 1 14 . 1 1 11 11 THR CB C 11 66.074 66.074 68.470 -2.396 19476
817 1 14 . 1 1 11 11 THR H H 11 7.934 7.934 7.735 0.199 19476
818 1 14 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.720 -0.116 19476
819 1 14 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.765 -2.740 19476
820 1 14 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.223 -3.645 19476
821 1 14 . 1 1 12 12 ASN H H 12 7.538 7.538 7.737 -0.199 19476
822 1 14 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.040 0.424 19476
823 1 14 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.475 -2.291 19476
824 1 14 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.175 -3.462 19476
825 1 14 . 1 1 13 13 HIS H H 13 7.818 7.818 8.077 -0.259 19476
826 1 14 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.258 0.150 19476
827 1 14 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.279 -1.964 19476
828 1 14 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.266 -3.899 19476
829 1 14 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.148 0.175 19476
830 1 14 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.286 -2.782 19476
831 1 14 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.942 -4.586 19476
832 1 14 . 1 1 15 15 GLU H H 15 9.729 9.729 8.352 1.377 19476
833 1 14 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.954 0.280 19476
834 1 14 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.293 -3.877 19476
835 1 14 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.941 -1.875 19476
836 1 14 . 1 1 16 16 VAL H H 16 7.514 7.514 7.825 -0.311 19476
837 1 14 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.621 0.312 19476
838 1 14 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.624 -6.839 19476
839 1 14 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.521 7.087 19476
840 1 14 . 1 1 17 17 CYS H H 17 7.823 7.823 7.644 0.179 19476
841 1 15 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.605 -3.364 19476
842 1 15 . 1 1 2 2 GLY H H 2 8.945 8.945 8.691 0.254 19476
843 1 15 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.851 -0.354 19476
844 1 15 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.973 -2.343 19476
845 1 15 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.572 11.930 19476
846 1 15 . 1 1 3 3 CYS H H 3 8.910 8.910 8.262 0.648 19476
847 1 15 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.662 -0.232 19476
848 1 15 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.773 -5.681 19476
849 1 15 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.874 8.346 19476
850 1 15 . 1 1 4 4 CYS H H 4 8.773 8.773 8.782 -0.009 19476
851 1 15 . 1 1 5 5 SER HA H 5 4.518 4.518 4.420 0.098 19476
852 1 15 . 1 1 5 5 SER CA C 5 55.783 55.783 58.735 -2.952 19476
853 1 15 . 1 1 5 5 SER CB C 5 60.742 60.742 63.548 -2.806 19476
854 1 15 . 1 1 5 5 SER H H 5 7.798 7.798 8.215 -0.417 19476
855 1 15 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.035 0.260 19476
856 1 15 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.563 -5.495 19476
857 1 15 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.327 -0.398 19476
858 1 15 . 1 1 6 6 ASN H H 6 8.073 8.073 8.581 -0.508 19476
859 1 15 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.320 -0.203 19476
860 1 15 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.528 -2.436 19476
861 1 15 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.013 -2.735 19476
862 1 15 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.395 -0.246 19476
863 1 15 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.885 -2.003 19476
864 1 15 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.358 -3.145 19476
865 1 15 . 1 1 8 8 ALA H H 8 7.807 7.807 8.299 -0.492 19476
866 1 15 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.451 -0.056 19476
867 1 15 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.032 -1.934 19476
868 1 15 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.098 11.287 19476
869 1 15 . 1 1 9 9 CYS H H 9 8.114 8.114 7.984 0.130 19476
870 1 15 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.099 -0.102 19476
871 1 15 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.542 -2.726 19476
872 1 15 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.088 -2.538 19476
873 1 15 . 1 1 10 10 ARG H H 10 8.855 8.855 7.790 1.065 19476
874 1 15 . 1 1 11 11 THR HA H 11 3.891 3.891 4.256 -0.365 19476
875 1 15 . 1 1 11 11 THR CA C 11 62.717 62.717 63.876 -1.159 19476
876 1 15 . 1 1 11 11 THR CB C 11 66.074 66.074 68.315 -2.241 19476
877 1 15 . 1 1 11 11 THR H H 11 7.934 7.934 7.806 0.128 19476
878 1 15 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.722 -0.118 19476
879 1 15 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.587 -2.562 19476
880 1 15 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.770 -3.192 19476
881 1 15 . 1 1 12 12 ASN H H 12 7.538 7.538 7.870 -0.332 19476
882 1 15 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.016 0.448 19476
883 1 15 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.450 -3.266 19476
884 1 15 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.353 -3.640 19476
885 1 15 . 1 1 13 13 HIS H H 13 7.818 7.818 8.205 -0.387 19476
886 1 15 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.288 0.120 19476
887 1 15 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.192 -1.877 19476
888 1 15 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.092 -3.725 19476
889 1 15 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.086 0.237 19476
890 1 15 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.447 -2.942 19476
891 1 15 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.213 -4.857 19476
892 1 15 . 1 1 15 15 GLU H H 15 9.729 9.729 8.235 1.494 19476
893 1 15 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.818 0.416 19476
894 1 15 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.985 -4.569 19476
895 1 15 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.883 -1.817 19476
896 1 15 . 1 1 16 16 VAL H H 16 7.514 7.514 7.627 -0.113 19476
897 1 15 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.310 0.623 19476
898 1 15 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.926 -8.141 19476
899 1 15 . 1 1 17 17 CYS CB C 17 36.608 36.608 27.616 8.992 19476
900 1 15 . 1 1 17 17 CYS H H 17 7.823 7.823 7.854 -0.031 19476
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 19476
2 1 1 "Average Difference" HA 17 0.250 0.039 0.254 19476
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19476
4 1 1 "Average Difference" CA 16 3.519 3.090 1.740 19476
5 1 1 "Average Difference" CB 15 5.812 -0.638 5.980 19476
6 1 1 "Average Difference" HN 14 0.583 -0.154 0.584 19476
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19476
8 1 2 "Average Difference" HA 17 0.237 -0.014 0.244 19476
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19476
10 1 2 "Average Difference" CA 16 3.684 3.295 1.703 19476
11 1 2 "Average Difference" CB 15 5.887 -0.570 6.065 19476
12 1 2 "Average Difference" HN 14 0.532 -0.153 0.528 19476
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19476
14 1 3 "Average Difference" HA 17 0.203 0.037 0.206 19476
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19476
16 1 3 "Average Difference" CA 16 3.532 3.124 1.702 19476
17 1 3 "Average Difference" CB 15 5.873 -0.459 6.061 19476
18 1 3 "Average Difference" HN 14 0.544 -0.141 0.545 19476
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19476
20 1 4 "Average Difference" HA 17 0.268 -0.034 0.274 19476
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19476
22 1 4 "Average Difference" CA 16 3.784 3.324 1.867 19476
23 1 4 "Average Difference" CB 15 5.776 -0.503 5.956 19476
24 1 4 "Average Difference" HN 14 0.574 -0.133 0.579 19476
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19476
26 1 5 "Average Difference" HA 17 0.240 0.009 0.247 19476
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19476
28 1 5 "Average Difference" CA 16 3.449 3.012 1.736 19476
29 1 5 "Average Difference" CB 15 5.810 -0.480 5.993 19476
30 1 5 "Average Difference" HN 14 0.617 -0.157 0.619 19476
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19476
32 1 6 "Average Difference" HA 17 0.239 0.035 0.244 19476
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19476
34 1 6 "Average Difference" CA 16 3.410 2.927 1.808 19476
35 1 6 "Average Difference" CB 15 5.823 -0.583 5.997 19476
36 1 6 "Average Difference" HN 14 0.647 -0.108 0.662 19476
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19476
38 1 7 "Average Difference" HA 17 0.277 0.048 0.281 19476
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19476
40 1 7 "Average Difference" CA 16 2.987 2.621 1.480 19476
41 1 7 "Average Difference" CB 15 5.940 -0.520 6.125 19476
42 1 7 "Average Difference" HN 14 0.599 -0.210 0.582 19476
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19476
44 1 8 "Average Difference" HA 17 0.281 0.018 0.289 19476
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19476
46 1 8 "Average Difference" CA 16 3.377 2.954 1.692 19476
47 1 8 "Average Difference" CB 15 6.024 -0.441 6.219 19476
48 1 8 "Average Difference" HN 14 0.659 -0.181 0.657 19476
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19476
50 1 9 "Average Difference" HA 17 0.249 -0.008 0.256 19476
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19476
52 1 9 "Average Difference" CA 16 3.308 3.021 1.390 19476
53 1 9 "Average Difference" CB 15 5.799 -0.544 5.976 19476
54 1 9 "Average Difference" HN 14 0.628 -0.289 0.579 19476
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19476
56 1 10 "Average Difference" HA 17 0.271 0.024 0.278 19476
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19476
58 1 10 "Average Difference" CA 16 3.449 2.959 1.829 19476
59 1 10 "Average Difference" CB 15 5.946 -0.546 6.129 19476
60 1 10 "Average Difference" HN 14 0.631 -0.150 0.636 19476
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19476
62 1 11 "Average Difference" HA 17 0.275 0.010 0.283 19476
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19476
64 1 11 "Average Difference" CA 16 3.355 2.963 1.626 19476
65 1 11 "Average Difference" CB 15 5.842 -0.635 6.012 19476
66 1 11 "Average Difference" HN 14 0.669 -0.142 0.679 19476
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19476
68 1 12 "Average Difference" HA 17 0.273 -0.000 0.282 19476
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19476
70 1 12 "Average Difference" CA 16 3.380 2.961 1.684 19476
71 1 12 "Average Difference" CB 15 5.948 -0.571 6.129 19476
72 1 12 "Average Difference" HN 14 0.707 -0.053 0.732 19476
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19476
74 1 13 "Average Difference" HA 17 0.239 0.023 0.245 19476
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19476
76 1 13 "Average Difference" CA 16 3.331 2.960 1.577 19476
77 1 13 "Average Difference" CB 15 6.021 -0.724 6.187 19476
78 1 13 "Average Difference" HN 14 0.593 -0.199 0.580 19476
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19476
80 1 14 "Average Difference" HA 17 0.215 -0.011 0.222 19476
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19476
82 1 14 "Average Difference" CA 16 3.481 3.082 1.672 19476
83 1 14 "Average Difference" CB 15 5.894 -0.468 6.081 19476
84 1 14 "Average Difference" HN 14 0.584 -0.171 0.580 19476
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19476
86 1 15 "Average Difference" HA 17 0.285 -0.016 0.293 19476
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19476
88 1 15 "Average Difference" CA 16 3.767 3.341 1.797 19476
89 1 15 "Average Difference" CB 15 5.895 -0.631 6.067 19476
90 1 15 "Average Difference" HN 14 0.587 -0.102 0.600 19476
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 19476
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.235 -2.994 19476
2 1 . 1 1 2 2 GLY H H 2 8.945 8.945 8.565 0.380 19476
3 1 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.804 -0.307 19476
4 1 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.496 -1.866 19476
5 1 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.088 12.414 19476
6 1 . 1 1 3 3 CYS H H 3 8.910 8.910 8.101 0.809 19476
7 1 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.574 -0.144 19476
8 1 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.971 -5.879 19476
9 1 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.737 8.483 19476
10 1 . 1 1 4 4 CYS H H 4 8.773 8.773 8.379 0.394 19476
11 1 . 1 1 5 5 SER HA H 5 4.518 4.518 4.444 0.074 19476
12 1 . 1 1 5 5 SER CA C 5 55.783 55.783 58.567 -2.784 19476
13 1 . 1 1 5 5 SER CB C 5 60.742 60.742 63.727 -2.985 19476
14 1 . 1 1 5 5 SER H H 5 7.798 7.798 8.367 -0.569 19476
15 1 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.103 0.192 19476
16 1 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.765 -4.697 19476
17 1 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.170 -1.242 19476
18 1 . 1 1 6 6 ASN H H 6 8.073 8.073 8.336 -0.263 19476
19 1 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.463 -0.346 19476
20 1 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.216 -1.124 19476
21 1 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.327 -2.049 19476
22 1 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.388 -0.239 19476
23 1 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.618 -1.736 19476
24 1 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.876 -3.663 19476
25 1 . 1 1 8 8 ALA H H 8 7.807 7.807 8.136 -0.329 19476
26 1 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.441 -0.046 19476
27 1 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.024 -1.926 19476
28 1 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.980 11.405 19476
29 1 . 1 1 9 9 CYS H H 9 8.114 8.114 8.087 0.027 19476
30 1 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.052 -0.055 19476
31 1 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.674 -2.858 19476
32 1 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.161 -2.611 19476
33 1 . 1 1 10 10 ARG H H 10 8.855 8.855 7.703 1.152 19476
34 1 . 1 1 11 11 THR HA H 11 3.891 3.891 4.167 -0.276 19476
35 1 . 1 1 11 11 THR CA C 11 62.717 62.717 64.628 -1.911 19476
36 1 . 1 1 11 11 THR CB C 11 66.074 66.074 68.205 -2.131 19476
37 1 . 1 1 11 11 THR H H 11 7.934 7.934 8.040 -0.106 19476
38 1 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.730 -0.126 19476
39 1 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.622 -2.597 19476
40 1 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.017 -3.439 19476
41 1 . 1 1 12 12 ASN H H 12 7.538 7.538 7.758 -0.220 19476
42 1 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.011 0.453 19476
43 1 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.888 -2.704 19476
44 1 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.999 -3.286 19476
45 1 . 1 1 13 13 HIS H H 13 7.818 7.818 8.090 -0.272 19476
46 1 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.363 0.045 19476
47 1 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.213 -1.898 19476
48 1 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.211 -3.844 19476
49 1 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.134 0.189 19476
50 1 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.272 -2.768 19476
51 1 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.010 -4.654 19476
52 1 . 1 1 15 15 GLU H H 15 9.729 9.729 8.407 1.322 19476
53 1 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.896 0.338 19476
54 1 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.309 -3.893 19476
55 1 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.797 -1.731 19476
56 1 . 1 1 16 16 VAL H H 16 7.514 7.514 7.689 -0.175 19476
57 1 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.595 0.338 19476
58 1 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.825 -7.040 19476
59 1 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.963 7.645 19476
60 1 . 1 1 17 17 CYS H H 17 7.823 7.823 7.785 0.038 19476
stop_
save_