data_25516
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25516
_Entry.PDB_ID 2N07
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 25516
_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 HIS HA H 2 4.157 4.157 4.694 -0.537 25516
2 1 1 . 1 1 2 2 HIS H H 2 8.567 8.567 8.513 0.054 25516
3 1 1 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.722 -0.458 25516
4 1 1 . 1 1 3 3 CYS H H 3 7.901 7.901 7.748 0.153 25516
5 1 1 . 1 1 4 4 SER HA H 4 3.996 3.996 4.345 -0.349 25516
6 1 1 . 1 1 4 4 SER CA C 4 59.701 59.701 58.952 0.749 25516
7 1 1 . 1 1 4 4 SER CB C 4 62.904 62.904 63.337 -0.432 25516
8 1 1 . 1 1 4 4 SER H H 4 7.625 7.625 7.992 -0.367 25516
9 1 1 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.858 -0.072 25516
10 1 1 . 1 1 5 5 ASP H H 5 7.500 7.500 7.345 0.155 25516
11 1 1 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.302 -0.232 25516
12 1 1 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.058 -0.086 25516
13 1 1 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.335 -0.421 25516
14 1 1 . 1 1 7 7 ARG H H 7 7.791 7.791 8.682 -0.891 25516
15 1 1 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.237 -0.223 25516
16 1 1 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.832 0.321 25516
17 1 1 . 1 1 8 8 PHE H H 8 7.691 7.691 8.550 -0.859 25516
18 1 1 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.283 -0.130 25516
19 1 1 . 1 1 9 9 ASN H H 9 8.578 8.578 7.939 0.639 25516
20 1 1 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.268 -0.516 25516
21 1 1 . 1 1 10 10 TYR H H 10 7.664 7.664 7.446 0.218 25516
22 1 1 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.104 -0.116 25516
23 1 1 . 1 1 11 11 ASP H H 11 7.710 7.710 8.469 -0.759 25516
24 1 1 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.049 -0.055 25516
25 1 1 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.032 -1.150 25516
26 1 1 . 1 1 12 12 HIS H H 12 7.287 7.287 8.102 -0.815 25516
27 1 1 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.465 -0.278 25516
28 1 1 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.073 -0.090 25516
29 1 1 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.769 -0.361 25516
30 1 1 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.781 -0.434 25516
31 1 1 . 1 1 14 14 GLU H H 14 9.338 9.338 8.652 0.686 25516
32 1 1 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.853 0.130 25516
33 1 1 . 1 1 15 15 ILE H H 15 7.160 7.160 7.751 -0.591 25516
34 1 1 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.461 0.266 25516
35 1 1 . 1 1 16 16 CYS H H 16 8.042 8.042 7.657 0.385 25516
36 1 1 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.327 0.119 25516
37 1 1 . 1 1 17 17 GLY H H 17 8.191 8.191 8.491 -0.300 25516
38 1 1 . 1 1 18 18 GLY H H 18 8.150 8.150 8.130 0.020 25516
39 1 1 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.594 -0.514 25516
40 1 1 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.617 -1.224 25516
41 1 1 . 1 1 19 19 ALA H H 19 7.782 7.782 7.630 0.152 25516
42 1 1 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.173 -0.179 25516
43 1 1 . 1 1 20 20 ALA H H 20 8.238 8.238 8.634 -0.396 25516
44 1 1 . 1 1 21 21 GLY H H 21 8.180 8.180 8.285 -0.105 25516
45 1 2 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.760 -0.603 25516
46 1 2 . 1 1 2 2 HIS H H 2 8.567 8.567 8.248 0.319 25516
47 1 2 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.875 -0.611 25516
48 1 2 . 1 1 3 3 CYS H H 3 7.901 7.901 7.990 -0.089 25516
49 1 2 . 1 1 4 4 SER HA H 4 3.996 3.996 4.505 -0.509 25516
50 1 2 . 1 1 4 4 SER CA C 4 59.701 59.701 59.845 -0.144 25516
51 1 2 . 1 1 4 4 SER CB C 4 62.904 62.904 63.436 -0.532 25516
52 1 2 . 1 1 4 4 SER H H 4 7.625 7.625 7.922 -0.297 25516
53 1 2 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.961 -0.175 25516
54 1 2 . 1 1 5 5 ASP H H 5 7.500 7.500 7.715 -0.215 25516
55 1 2 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.294 -0.224 25516
56 1 2 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.069 -0.097 25516
57 1 2 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.207 -0.293 25516
58 1 2 . 1 1 7 7 ARG H H 7 7.791 7.791 8.843 -1.052 25516
59 1 2 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.297 -0.283 25516
60 1 2 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.763 0.390 25516
61 1 2 . 1 1 8 8 PHE H H 8 7.691 7.691 9.084 -1.393 25516
62 1 2 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.339 -0.186 25516
63 1 2 . 1 1 9 9 ASN H H 9 8.578 8.578 7.871 0.707 25516
64 1 2 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.294 -0.542 25516
65 1 2 . 1 1 10 10 TYR H H 10 7.664 7.664 8.227 -0.563 25516
66 1 2 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.232 -0.244 25516
67 1 2 . 1 1 11 11 ASP H H 11 7.710 7.710 8.454 -0.744 25516
68 1 2 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.887 0.107 25516
69 1 2 . 1 1 12 12 HIS CB C 12 27.882 27.882 31.276 -3.394 25516
70 1 2 . 1 1 12 12 HIS H H 12 7.287 7.287 7.610 -0.323 25516
71 1 2 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.589 -0.402 25516
72 1 2 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.100 -0.117 25516
73 1 2 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.365 0.043 25516
74 1 2 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.800 -0.453 25516
75 1 2 . 1 1 14 14 GLU H H 14 9.338 9.338 8.596 0.742 25516
76 1 2 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.869 0.114 25516
77 1 2 . 1 1 15 15 ILE H H 15 7.160 7.160 7.987 -0.827 25516
78 1 2 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.569 0.158 25516
79 1 2 . 1 1 16 16 CYS H H 16 8.042 8.042 7.532 0.510 25516
80 1 2 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.278 0.168 25516
81 1 2 . 1 1 17 17 GLY H H 17 8.191 8.191 7.999 0.192 25516
82 1 2 . 1 1 18 18 GLY H H 18 8.150 8.150 8.508 -0.358 25516
83 1 2 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.349 -0.269 25516
84 1 2 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.358 0.035 25516
85 1 2 . 1 1 19 19 ALA H H 19 7.782 7.782 7.605 0.177 25516
86 1 2 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.351 -0.357 25516
87 1 2 . 1 1 20 20 ALA H H 20 8.238 8.238 8.746 -0.508 25516
88 1 2 . 1 1 21 21 GLY H H 21 8.180 8.180 7.899 0.281 25516
89 1 3 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.679 -0.522 25516
90 1 3 . 1 1 2 2 HIS H H 2 8.567 8.567 7.950 0.617 25516
91 1 3 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.512 -0.248 25516
92 1 3 . 1 1 3 3 CYS H H 3 7.901 7.901 7.478 0.423 25516
93 1 3 . 1 1 4 4 SER HA H 4 3.996 3.996 4.360 -0.364 25516
94 1 3 . 1 1 4 4 SER CA C 4 59.701 59.701 59.250 0.451 25516
95 1 3 . 1 1 4 4 SER CB C 4 62.904 62.904 61.410 1.494 25516
96 1 3 . 1 1 4 4 SER H H 4 7.625 7.625 8.219 -0.594 25516
97 1 3 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.896 -0.110 25516
98 1 3 . 1 1 5 5 ASP H H 5 7.500 7.500 8.040 -0.540 25516
99 1 3 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.502 -0.432 25516
100 1 3 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.847 0.124 25516
101 1 3 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.166 -0.252 25516
102 1 3 . 1 1 7 7 ARG H H 7 7.791 7.791 8.449 -0.658 25516
103 1 3 . 1 1 8 8 PHE HA H 8 4.014 4.014 5.142 -1.128 25516
104 1 3 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.115 0.038 25516
105 1 3 . 1 1 8 8 PHE H H 8 7.691 7.691 7.915 -0.224 25516
106 1 3 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.441 -0.288 25516
107 1 3 . 1 1 9 9 ASN H H 9 8.578 8.578 8.216 0.362 25516
108 1 3 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.430 -0.678 25516
109 1 3 . 1 1 10 10 TYR H H 10 7.664 7.664 7.672 -0.008 25516
110 1 3 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.068 -0.080 25516
111 1 3 . 1 1 11 11 ASP H H 11 7.710 7.710 8.380 -0.670 25516
112 1 3 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.774 0.220 25516
113 1 3 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.736 -1.854 25516
114 1 3 . 1 1 12 12 HIS H H 12 7.287 7.287 7.842 -0.555 25516
115 1 3 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.213 -0.026 25516
116 1 3 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.014 -0.031 25516
117 1 3 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.554 -1.146 25516
118 1 3 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.197 -0.850 25516
119 1 3 . 1 1 14 14 GLU H H 14 9.338 9.338 8.760 0.578 25516
120 1 3 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.854 0.129 25516
121 1 3 . 1 1 15 15 ILE H H 15 7.160 7.160 7.454 -0.294 25516
122 1 3 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.346 0.381 25516
123 1 3 . 1 1 16 16 CYS H H 16 8.042 8.042 7.666 0.376 25516
124 1 3 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.757 -0.311 25516
125 1 3 . 1 1 17 17 GLY H H 17 8.191 8.191 8.828 -0.637 25516
126 1 3 . 1 1 18 18 GLY H H 18 8.150 8.150 8.330 -0.180 25516
127 1 3 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.419 -0.339 25516
128 1 3 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.525 -0.132 25516
129 1 3 . 1 1 19 19 ALA H H 19 7.782 7.782 7.701 0.081 25516
130 1 3 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.048 -0.054 25516
131 1 3 . 1 1 20 20 ALA H H 20 8.238 8.238 8.515 -0.277 25516
132 1 3 . 1 1 21 21 GLY H H 21 8.180 8.180 8.380 -0.200 25516
133 1 4 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.734 -0.577 25516
134 1 4 . 1 1 2 2 HIS H H 2 8.567 8.567 8.445 0.122 25516
135 1 4 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.623 -0.359 25516
136 1 4 . 1 1 3 3 CYS H H 3 7.901 7.901 8.574 -0.673 25516
137 1 4 . 1 1 4 4 SER HA H 4 3.996 3.996 4.355 -0.359 25516
138 1 4 . 1 1 4 4 SER CA C 4 59.701 59.701 59.879 -0.178 25516
139 1 4 . 1 1 4 4 SER CB C 4 62.904 62.904 63.419 -0.515 25516
140 1 4 . 1 1 4 4 SER H H 4 7.625 7.625 7.960 -0.335 25516
141 1 4 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.872 -0.086 25516
142 1 4 . 1 1 5 5 ASP H H 5 7.500 7.500 7.407 0.093 25516
143 1 4 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.253 -0.183 25516
144 1 4 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.221 -0.249 25516
145 1 4 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.203 -0.289 25516
146 1 4 . 1 1 7 7 ARG H H 7 7.791 7.791 7.852 -0.061 25516
147 1 4 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.296 -0.282 25516
148 1 4 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.058 0.095 25516
149 1 4 . 1 1 8 8 PHE H H 8 7.691 7.691 8.090 -0.399 25516
150 1 4 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.300 -0.147 25516
151 1 4 . 1 1 9 9 ASN H H 9 8.578 8.578 7.904 0.674 25516
152 1 4 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.341 -0.589 25516
153 1 4 . 1 1 10 10 TYR H H 10 7.664 7.664 7.441 0.223 25516
154 1 4 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.066 -0.078 25516
155 1 4 . 1 1 11 11 ASP H H 11 7.710 7.710 8.330 -0.620 25516
156 1 4 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.984 0.010 25516
157 1 4 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.196 -1.314 25516
158 1 4 . 1 1 12 12 HIS H H 12 7.287 7.287 8.133 -0.846 25516
159 1 4 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.321 -0.134 25516
160 1 4 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.012 -0.029 25516
161 1 4 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.041 -0.633 25516
162 1 4 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.849 -0.502 25516
163 1 4 . 1 1 14 14 GLU H H 14 9.338 9.338 8.579 0.759 25516
164 1 4 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.845 0.138 25516
165 1 4 . 1 1 15 15 ILE H H 15 7.160 7.160 7.794 -0.634 25516
166 1 4 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.414 0.313 25516
167 1 4 . 1 1 16 16 CYS H H 16 8.042 8.042 7.743 0.299 25516
168 1 4 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.582 -0.136 25516
169 1 4 . 1 1 17 17 GLY H H 17 8.191 8.191 8.602 -0.411 25516
170 1 4 . 1 1 18 18 GLY H H 18 8.150 8.150 8.307 -0.157 25516
171 1 4 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.492 -0.411 25516
172 1 4 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.285 0.108 25516
173 1 4 . 1 1 19 19 ALA H H 19 7.782 7.782 7.730 0.052 25516
174 1 4 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.132 -0.138 25516
175 1 4 . 1 1 20 20 ALA H H 20 8.238 8.238 8.767 -0.529 25516
176 1 4 . 1 1 21 21 GLY H H 21 8.180 8.180 8.357 -0.177 25516
177 1 5 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.602 -0.445 25516
178 1 5 . 1 1 2 2 HIS H H 2 8.567 8.567 8.442 0.125 25516
179 1 5 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.567 -0.303 25516
180 1 5 . 1 1 3 3 CYS H H 3 7.901 7.901 8.065 -0.164 25516
181 1 5 . 1 1 4 4 SER HA H 4 3.996 3.996 4.266 -0.270 25516
182 1 5 . 1 1 4 4 SER CA C 4 59.701 59.701 60.315 -0.614 25516
183 1 5 . 1 1 4 4 SER CB C 4 62.904 62.904 63.304 -0.400 25516
184 1 5 . 1 1 4 4 SER H H 4 7.625 7.625 7.832 -0.207 25516
185 1 5 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.993 -0.207 25516
186 1 5 . 1 1 5 5 ASP H H 5 7.500 7.500 7.736 -0.236 25516
187 1 5 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.503 -0.433 25516
188 1 5 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.801 0.171 25516
189 1 5 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.125 -0.211 25516
190 1 5 . 1 1 7 7 ARG H H 7 7.791 7.791 8.610 -0.819 25516
191 1 5 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.773 -0.759 25516
192 1 5 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.682 0.471 25516
193 1 5 . 1 1 8 8 PHE H H 8 7.691 7.691 7.802 -0.111 25516
194 1 5 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.313 -0.160 25516
195 1 5 . 1 1 9 9 ASN H H 9 8.578 8.578 7.621 0.957 25516
196 1 5 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.292 -0.540 25516
197 1 5 . 1 1 10 10 TYR H H 10 7.664 7.664 7.646 0.018 25516
198 1 5 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.082 -0.094 25516
199 1 5 . 1 1 11 11 ASP H H 11 7.710 7.710 7.884 -0.174 25516
200 1 5 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.860 0.134 25516
201 1 5 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.948 -2.066 25516
202 1 5 . 1 1 12 12 HIS H H 12 7.287 7.287 7.593 -0.306 25516
203 1 5 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.464 -0.277 25516
204 1 5 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.083 -0.101 25516
205 1 5 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.361 0.047 25516
206 1 5 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.406 -0.059 25516
207 1 5 . 1 1 14 14 GLU H H 14 9.338 9.338 8.541 0.797 25516
208 1 5 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.837 0.146 25516
209 1 5 . 1 1 15 15 ILE H H 15 7.160 7.160 8.050 -0.890 25516
210 1 5 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.739 -0.012 25516
211 1 5 . 1 1 16 16 CYS H H 16 8.042 8.042 7.680 0.362 25516
212 1 5 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.980 0.466 25516
213 1 5 . 1 1 17 17 GLY H H 17 8.191 8.191 8.289 -0.098 25516
214 1 5 . 1 1 18 18 GLY H H 18 8.150 8.150 7.308 0.842 25516
215 1 5 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.889 0.191 25516
216 1 5 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.865 1.528 25516
217 1 5 . 1 1 19 19 ALA H H 19 7.782 7.782 9.530 -1.748 25516
218 1 5 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.946 0.048 25516
219 1 5 . 1 1 20 20 ALA H H 20 8.238 8.238 8.368 -0.130 25516
220 1 5 . 1 1 21 21 GLY H H 21 8.180 8.180 8.346 -0.166 25516
221 1 6 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.956 -0.799 25516
222 1 6 . 1 1 2 2 HIS H H 2 8.567 8.567 8.440 0.127 25516
223 1 6 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.832 -0.568 25516
224 1 6 . 1 1 3 3 CYS H H 3 7.901 7.901 7.881 0.020 25516
225 1 6 . 1 1 4 4 SER HA H 4 3.996 3.996 4.452 -0.456 25516
226 1 6 . 1 1 4 4 SER CA C 4 59.701 59.701 60.449 -0.748 25516
227 1 6 . 1 1 4 4 SER CB C 4 62.904 62.904 63.618 -0.714 25516
228 1 6 . 1 1 4 4 SER H H 4 7.625 7.625 8.208 -0.583 25516
229 1 6 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.051 -0.265 25516
230 1 6 . 1 1 5 5 ASP H H 5 7.500 7.500 7.699 -0.199 25516
231 1 6 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.307 -0.237 25516
232 1 6 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.153 -0.181 25516
233 1 6 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.221 -0.307 25516
234 1 6 . 1 1 7 7 ARG H H 7 7.791 7.791 8.452 -0.661 25516
235 1 6 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.210 -0.196 25516
236 1 6 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.002 0.151 25516
237 1 6 . 1 1 8 8 PHE H H 8 7.691 7.691 9.210 -1.519 25516
238 1 6 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.256 -0.103 25516
239 1 6 . 1 1 9 9 ASN H H 9 8.578 8.578 8.150 0.428 25516
240 1 6 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.305 -0.553 25516
241 1 6 . 1 1 10 10 TYR H H 10 7.664 7.664 7.419 0.245 25516
242 1 6 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.076 -0.088 25516
243 1 6 . 1 1 11 11 ASP H H 11 7.710 7.710 8.375 -0.665 25516
244 1 6 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.026 -0.032 25516
245 1 6 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.326 -1.444 25516
246 1 6 . 1 1 12 12 HIS H H 12 7.287 7.287 8.068 -0.781 25516
247 1 6 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.330 -0.143 25516
248 1 6 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.044 -0.061 25516
249 1 6 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.170 -0.762 25516
250 1 6 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.592 -0.245 25516
251 1 6 . 1 1 14 14 GLU H H 14 9.338 9.338 8.770 0.568 25516
252 1 6 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.821 0.162 25516
253 1 6 . 1 1 15 15 ILE H H 15 7.160 7.160 7.671 -0.511 25516
254 1 6 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.266 0.461 25516
255 1 6 . 1 1 16 16 CYS H H 16 8.042 8.042 7.737 0.305 25516
256 1 6 . 1 1 17 17 GLY CA C 17 46.446 46.446 47.105 -0.659 25516
257 1 6 . 1 1 17 17 GLY H H 17 8.191 8.191 8.556 -0.365 25516
258 1 6 . 1 1 18 18 GLY H H 18 8.150 8.150 8.234 -0.084 25516
259 1 6 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.274 -0.194 25516
260 1 6 . 1 1 19 19 ALA CB C 19 19.393 19.393 18.827 0.566 25516
261 1 6 . 1 1 19 19 ALA H H 19 7.782 7.782 7.652 0.130 25516
262 1 6 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.069 -0.075 25516
263 1 6 . 1 1 20 20 ALA H H 20 8.238 8.238 7.447 0.791 25516
264 1 6 . 1 1 21 21 GLY H H 21 8.180 8.180 7.958 0.222 25516
265 1 7 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.765 -0.608 25516
266 1 7 . 1 1 2 2 HIS H H 2 8.567 8.567 8.692 -0.125 25516
267 1 7 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.564 -0.300 25516
268 1 7 . 1 1 3 3 CYS H H 3 7.901 7.901 8.377 -0.476 25516
269 1 7 . 1 1 4 4 SER HA H 4 3.996 3.996 4.276 -0.280 25516
270 1 7 . 1 1 4 4 SER CA C 4 59.701 59.701 59.777 -0.076 25516
271 1 7 . 1 1 4 4 SER CB C 4 62.904 62.904 63.244 -0.340 25516
272 1 7 . 1 1 4 4 SER H H 4 7.625 7.625 7.936 -0.311 25516
273 1 7 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.778 0.008 25516
274 1 7 . 1 1 5 5 ASP H H 5 7.500 7.500 7.368 0.132 25516
275 1 7 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.413 -0.343 25516
276 1 7 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.793 0.179 25516
277 1 7 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.179 -0.265 25516
278 1 7 . 1 1 7 7 ARG H H 7 7.791 7.791 8.360 -0.569 25516
279 1 7 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.868 -0.854 25516
280 1 7 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.013 0.140 25516
281 1 7 . 1 1 8 8 PHE H H 8 7.691 7.691 7.827 -0.136 25516
282 1 7 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.298 -0.145 25516
283 1 7 . 1 1 9 9 ASN H H 9 8.578 8.578 7.915 0.663 25516
284 1 7 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.342 -0.590 25516
285 1 7 . 1 1 10 10 TYR H H 10 7.664 7.664 7.667 -0.003 25516
286 1 7 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.141 -0.153 25516
287 1 7 . 1 1 11 11 ASP H H 11 7.710 7.710 8.059 -0.349 25516
288 1 7 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.148 -0.154 25516
289 1 7 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.021 -2.139 25516
290 1 7 . 1 1 12 12 HIS H H 12 7.287 7.287 7.810 -0.523 25516
291 1 7 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.415 -0.228 25516
292 1 7 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.096 -0.113 25516
293 1 7 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.598 -0.190 25516
294 1 7 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.666 -0.319 25516
295 1 7 . 1 1 14 14 GLU H H 14 9.338 9.338 8.768 0.570 25516
296 1 7 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.903 0.080 25516
297 1 7 . 1 1 15 15 ILE H H 15 7.160 7.160 7.341 -0.181 25516
298 1 7 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.708 0.019 25516
299 1 7 . 1 1 16 16 CYS H H 16 8.042 8.042 7.558 0.484 25516
300 1 7 . 1 1 17 17 GLY CA C 17 46.446 46.446 47.414 -0.968 25516
301 1 7 . 1 1 17 17 GLY H H 17 8.191 8.191 8.343 -0.152 25516
302 1 7 . 1 1 18 18 GLY H H 18 8.150 8.150 7.983 0.167 25516
303 1 7 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.536 -0.456 25516
304 1 7 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.465 1.927 25516
305 1 7 . 1 1 19 19 ALA H H 19 7.782 7.782 8.163 -0.381 25516
306 1 7 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.491 -0.497 25516
307 1 7 . 1 1 20 20 ALA H H 20 8.238 8.238 7.723 0.515 25516
308 1 7 . 1 1 21 21 GLY H H 21 8.180 8.180 8.225 -0.045 25516
309 1 8 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.922 -0.765 25516
310 1 8 . 1 1 2 2 HIS H H 2 8.567 8.567 8.184 0.383 25516
311 1 8 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.655 -0.391 25516
312 1 8 . 1 1 3 3 CYS H H 3 7.901 7.901 8.436 -0.535 25516
313 1 8 . 1 1 4 4 SER HA H 4 3.996 3.996 4.320 -0.324 25516
314 1 8 . 1 1 4 4 SER CA C 4 59.701 59.701 59.069 0.632 25516
315 1 8 . 1 1 4 4 SER CB C 4 62.904 62.904 62.883 0.021 25516
316 1 8 . 1 1 4 4 SER H H 4 7.625 7.625 8.067 -0.442 25516
317 1 8 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.911 -0.125 25516
318 1 8 . 1 1 5 5 ASP H H 5 7.500 7.500 7.287 0.213 25516
319 1 8 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.307 -0.237 25516
320 1 8 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.889 0.083 25516
321 1 8 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.228 -0.314 25516
322 1 8 . 1 1 7 7 ARG H H 7 7.791 7.791 8.319 -0.528 25516
323 1 8 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.285 -0.271 25516
324 1 8 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.137 0.016 25516
325 1 8 . 1 1 8 8 PHE H H 8 7.691 7.691 8.107 -0.416 25516
326 1 8 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.354 -0.201 25516
327 1 8 . 1 1 9 9 ASN H H 9 8.578 8.578 8.025 0.553 25516
328 1 8 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.338 -0.586 25516
329 1 8 . 1 1 10 10 TYR H H 10 7.664 7.664 7.800 -0.136 25516
330 1 8 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.122 -0.134 25516
331 1 8 . 1 1 11 11 ASP H H 11 7.710 7.710 8.007 -0.297 25516
332 1 8 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.857 0.137 25516
333 1 8 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.425 -2.543 25516
334 1 8 . 1 1 12 12 HIS H H 12 7.287 7.287 8.006 -0.719 25516
335 1 8 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.266 -0.079 25516
336 1 8 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.024 -0.041 25516
337 1 8 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.216 -0.808 25516
338 1 8 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.131 -0.784 25516
339 1 8 . 1 1 14 14 GLU H H 14 9.338 9.338 8.680 0.658 25516
340 1 8 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.734 0.249 25516
341 1 8 . 1 1 15 15 ILE H H 15 7.160 7.160 7.550 -0.390 25516
342 1 8 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.356 0.371 25516
343 1 8 . 1 1 16 16 CYS H H 16 8.042 8.042 8.062 -0.020 25516
344 1 8 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.079 0.367 25516
345 1 8 . 1 1 17 17 GLY H H 17 8.191 8.191 8.495 -0.304 25516
346 1 8 . 1 1 18 18 GLY H H 18 8.150 8.150 7.902 0.248 25516
347 1 8 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.564 -0.483 25516
348 1 8 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.094 -0.701 25516
349 1 8 . 1 1 19 19 ALA H H 19 7.782 7.782 7.785 -0.003 25516
350 1 8 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.023 -0.029 25516
351 1 8 . 1 1 20 20 ALA H H 20 8.238 8.238 8.378 -0.140 25516
352 1 8 . 1 1 21 21 GLY H H 21 8.180 8.180 8.745 -0.565 25516
353 1 9 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.709 -0.552 25516
354 1 9 . 1 1 2 2 HIS H H 2 8.567 8.567 8.323 0.244 25516
355 1 9 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.627 -0.363 25516
356 1 9 . 1 1 3 3 CYS H H 3 7.901 7.901 8.378 -0.477 25516
357 1 9 . 1 1 4 4 SER HA H 4 3.996 3.996 4.260 -0.264 25516
358 1 9 . 1 1 4 4 SER CA C 4 59.701 59.701 60.210 -0.509 25516
359 1 9 . 1 1 4 4 SER CB C 4 62.904 62.904 63.120 -0.216 25516
360 1 9 . 1 1 4 4 SER H H 4 7.625 7.625 8.053 -0.428 25516
361 1 9 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.963 -0.177 25516
362 1 9 . 1 1 5 5 ASP H H 5 7.500 7.500 7.337 0.163 25516
363 1 9 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.262 -0.192 25516
364 1 9 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.913 0.059 25516
365 1 9 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.149 -0.235 25516
366 1 9 . 1 1 7 7 ARG H H 7 7.791 7.791 8.761 -0.970 25516
367 1 9 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.328 -0.314 25516
368 1 9 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.156 -0.003 25516
369 1 9 . 1 1 8 8 PHE H H 8 7.691 7.691 7.937 -0.246 25516
370 1 9 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.360 -0.207 25516
371 1 9 . 1 1 9 9 ASN H H 9 8.578 8.578 7.863 0.715 25516
372 1 9 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.325 -0.573 25516
373 1 9 . 1 1 10 10 TYR H H 10 7.664 7.664 7.403 0.261 25516
374 1 9 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.028 -0.040 25516
375 1 9 . 1 1 11 11 ASP H H 11 7.710 7.710 7.889 -0.179 25516
376 1 9 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.863 0.131 25516
377 1 9 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.110 -2.228 25516
378 1 9 . 1 1 12 12 HIS H H 12 7.287 7.287 8.060 -0.773 25516
379 1 9 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.341 -0.154 25516
380 1 9 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.033 -0.050 25516
381 1 9 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.291 -0.883 25516
382 1 9 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.234 -0.887 25516
383 1 9 . 1 1 14 14 GLU H H 14 9.338 9.338 8.562 0.776 25516
384 1 9 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.785 0.198 25516
385 1 9 . 1 1 15 15 ILE H H 15 7.160 7.160 7.481 -0.321 25516
386 1 9 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.385 0.342 25516
387 1 9 . 1 1 16 16 CYS H H 16 8.042 8.042 7.967 0.075 25516
388 1 9 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.053 0.393 25516
389 1 9 . 1 1 17 17 GLY H H 17 8.191 8.191 8.249 -0.058 25516
390 1 9 . 1 1 18 18 GLY H H 18 8.150 8.150 7.899 0.251 25516
391 1 9 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.487 -0.407 25516
392 1 9 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.623 -0.230 25516
393 1 9 . 1 1 19 19 ALA H H 19 7.782 7.782 8.059 -0.277 25516
394 1 9 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.354 -0.360 25516
395 1 9 . 1 1 20 20 ALA H H 20 8.238 8.238 8.053 0.185 25516
396 1 9 . 1 1 21 21 GLY H H 21 8.180 8.180 8.540 -0.360 25516
397 1 10 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.885 -0.728 25516
398 1 10 . 1 1 2 2 HIS H H 2 8.567 8.567 8.502 0.065 25516
399 1 10 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.964 -0.700 25516
400 1 10 . 1 1 3 3 CYS H H 3 7.901 7.901 7.654 0.247 25516
401 1 10 . 1 1 4 4 SER HA H 4 3.996 3.996 4.440 -0.444 25516
402 1 10 . 1 1 4 4 SER CA C 4 59.701 59.701 60.542 -0.841 25516
403 1 10 . 1 1 4 4 SER CB C 4 62.904 62.904 63.481 -0.577 25516
404 1 10 . 1 1 4 4 SER H H 4 7.625 7.625 8.183 -0.558 25516
405 1 10 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.955 -0.169 25516
406 1 10 . 1 1 5 5 ASP H H 5 7.500 7.500 7.711 -0.211 25516
407 1 10 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.228 -0.158 25516
408 1 10 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.209 -0.237 25516
409 1 10 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.233 -0.319 25516
410 1 10 . 1 1 7 7 ARG H H 7 7.791 7.791 8.032 -0.241 25516
411 1 10 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.219 -0.205 25516
412 1 10 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.876 0.277 25516
413 1 10 . 1 1 8 8 PHE H H 8 7.691 7.691 9.311 -1.620 25516
414 1 10 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.371 -0.218 25516
415 1 10 . 1 1 9 9 ASN H H 9 8.578 8.578 7.996 0.582 25516
416 1 10 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.309 -0.557 25516
417 1 10 . 1 1 10 10 TYR H H 10 7.664 7.664 7.505 0.159 25516
418 1 10 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.110 -0.122 25516
419 1 10 . 1 1 11 11 ASP H H 11 7.710 7.710 8.351 -0.641 25516
420 1 10 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.003 -0.009 25516
421 1 10 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.089 -1.207 25516
422 1 10 . 1 1 12 12 HIS H H 12 7.287 7.287 7.946 -0.659 25516
423 1 10 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.402 -0.215 25516
424 1 10 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.115 -0.132 25516
425 1 10 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.739 -0.331 25516
426 1 10 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.026 -0.679 25516
427 1 10 . 1 1 14 14 GLU H H 14 9.338 9.338 8.723 0.615 25516
428 1 10 . 1 1 15 15 ILE HA H 15 3.983 3.983 4.004 -0.021 25516
429 1 10 . 1 1 15 15 ILE H H 15 7.160 7.160 7.493 -0.333 25516
430 1 10 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.842 -0.115 25516
431 1 10 . 1 1 16 16 CYS H H 16 8.042 8.042 8.125 -0.083 25516
432 1 10 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.887 0.559 25516
433 1 10 . 1 1 17 17 GLY H H 17 8.191 8.191 8.517 -0.326 25516
434 1 10 . 1 1 18 18 GLY H H 18 8.150 8.150 8.607 -0.457 25516
435 1 10 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.529 -0.449 25516
436 1 10 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.400 -1.007 25516
437 1 10 . 1 1 19 19 ALA H H 19 7.782 7.782 7.620 0.162 25516
438 1 10 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.383 -0.389 25516
439 1 10 . 1 1 20 20 ALA H H 20 8.238 8.238 8.503 -0.265 25516
440 1 10 . 1 1 21 21 GLY H H 21 8.180 8.180 8.341 -0.161 25516
441 1 11 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.682 -0.525 25516
442 1 11 . 1 1 2 2 HIS H H 2 8.567 8.567 8.480 0.087 25516
443 1 11 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.999 -0.735 25516
444 1 11 . 1 1 3 3 CYS H H 3 7.901 7.901 8.727 -0.826 25516
445 1 11 . 1 1 4 4 SER HA H 4 3.996 3.996 4.391 -0.395 25516
446 1 11 . 1 1 4 4 SER CA C 4 59.701 59.701 59.878 -0.177 25516
447 1 11 . 1 1 4 4 SER CB C 4 62.904 62.904 63.890 -0.986 25516
448 1 11 . 1 1 4 4 SER H H 4 7.625 7.625 8.065 -0.440 25516
449 1 11 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.998 -0.212 25516
450 1 11 . 1 1 5 5 ASP H H 5 7.500 7.500 7.757 -0.257 25516
451 1 11 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.304 -0.234 25516
452 1 11 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.019 -0.047 25516
453 1 11 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.198 -0.284 25516
454 1 11 . 1 1 7 7 ARG H H 7 7.791 7.791 9.288 -1.497 25516
455 1 11 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.217 -0.203 25516
456 1 11 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.946 0.207 25516
457 1 11 . 1 1 8 8 PHE H H 8 7.691 7.691 8.065 -0.374 25516
458 1 11 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.402 -0.249 25516
459 1 11 . 1 1 9 9 ASN H H 9 8.578 8.578 8.034 0.544 25516
460 1 11 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.306 -0.554 25516
461 1 11 . 1 1 10 10 TYR H H 10 7.664 7.664 7.764 -0.100 25516
462 1 11 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.110 -0.122 25516
463 1 11 . 1 1 11 11 ASP H H 11 7.710 7.710 8.505 -0.795 25516
464 1 11 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.043 -0.049 25516
465 1 11 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.293 -2.411 25516
466 1 11 . 1 1 12 12 HIS H H 12 7.287 7.287 7.973 -0.686 25516
467 1 11 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.447 -0.260 25516
468 1 11 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.104 -0.121 25516
469 1 11 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.011 -0.603 25516
470 1 11 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.730 -0.383 25516
471 1 11 . 1 1 14 14 GLU H H 14 9.338 9.338 8.854 0.484 25516
472 1 11 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.754 0.229 25516
473 1 11 . 1 1 15 15 ILE H H 15 7.160 7.160 7.324 -0.164 25516
474 1 11 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.349 0.378 25516
475 1 11 . 1 1 16 16 CYS H H 16 8.042 8.042 8.017 0.025 25516
476 1 11 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.029 0.417 25516
477 1 11 . 1 1 17 17 GLY H H 17 8.191 8.191 8.568 -0.377 25516
478 1 11 . 1 1 18 18 GLY H H 18 8.150 8.150 7.940 0.210 25516
479 1 11 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.418 -0.338 25516
480 1 11 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.886 -0.493 25516
481 1 11 . 1 1 19 19 ALA H H 19 7.782 7.782 7.678 0.103 25516
482 1 11 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.074 -0.080 25516
483 1 11 . 1 1 20 20 ALA H H 20 8.238 8.238 8.630 -0.392 25516
484 1 11 . 1 1 21 21 GLY H H 21 8.180 8.180 8.256 -0.076 25516
485 1 12 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.825 -0.668 25516
486 1 12 . 1 1 2 2 HIS H H 2 8.567 8.567 8.684 -0.117 25516
487 1 12 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.969 -0.705 25516
488 1 12 . 1 1 3 3 CYS H H 3 7.901 7.901 7.870 0.031 25516
489 1 12 . 1 1 4 4 SER HA H 4 3.996 3.996 4.424 -0.428 25516
490 1 12 . 1 1 4 4 SER CA C 4 59.701 59.701 60.409 -0.708 25516
491 1 12 . 1 1 4 4 SER CB C 4 62.904 62.904 63.540 -0.636 25516
492 1 12 . 1 1 4 4 SER H H 4 7.625 7.625 8.416 -0.791 25516
493 1 12 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.029 -0.243 25516
494 1 12 . 1 1 5 5 ASP H H 5 7.500 7.500 7.818 -0.318 25516
495 1 12 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.204 -0.134 25516
496 1 12 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.336 -0.364 25516
497 1 12 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.209 -0.295 25516
498 1 12 . 1 1 7 7 ARG H H 7 7.791 7.791 8.269 -0.478 25516
499 1 12 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.430 -0.416 25516
500 1 12 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.727 0.425 25516
501 1 12 . 1 1 8 8 PHE H H 8 7.691 7.691 8.579 -0.888 25516
502 1 12 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.274 -0.121 25516
503 1 12 . 1 1 9 9 ASN H H 9 8.578 8.578 8.052 0.526 25516
504 1 12 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.305 -0.553 25516
505 1 12 . 1 1 10 10 TYR H H 10 7.664 7.664 7.658 0.006 25516
506 1 12 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.135 -0.147 25516
507 1 12 . 1 1 11 11 ASP H H 11 7.710 7.710 8.454 -0.744 25516
508 1 12 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.106 -0.112 25516
509 1 12 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.480 -2.598 25516
510 1 12 . 1 1 12 12 HIS H H 12 7.287 7.287 8.059 -0.772 25516
511 1 12 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.382 -0.195 25516
512 1 12 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.063 -0.080 25516
513 1 12 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.980 -0.572 25516
514 1 12 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.467 -0.120 25516
515 1 12 . 1 1 14 14 GLU H H 14 9.338 9.338 8.744 0.594 25516
516 1 12 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.757 0.226 25516
517 1 12 . 1 1 15 15 ILE H H 15 7.160 7.160 7.937 -0.777 25516
518 1 12 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.301 0.426 25516
519 1 12 . 1 1 16 16 CYS H H 16 8.042 8.042 7.855 0.187 25516
520 1 12 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.552 -0.106 25516
521 1 12 . 1 1 17 17 GLY H H 17 8.191 8.191 8.559 -0.368 25516
522 1 12 . 1 1 18 18 GLY H H 18 8.150 8.150 8.067 0.083 25516
523 1 12 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.201 -0.121 25516
524 1 12 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.132 0.261 25516
525 1 12 . 1 1 19 19 ALA H H 19 7.782 7.782 7.898 -0.116 25516
526 1 12 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.058 -0.064 25516
527 1 12 . 1 1 20 20 ALA H H 20 8.238 8.238 7.978 0.260 25516
528 1 12 . 1 1 21 21 GLY H H 21 8.180 8.180 8.292 -0.112 25516
529 1 13 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.654 -0.497 25516
530 1 13 . 1 1 2 2 HIS H H 2 8.567 8.567 8.357 0.210 25516
531 1 13 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.661 -0.397 25516
532 1 13 . 1 1 3 3 CYS H H 3 7.901 7.901 7.857 0.044 25516
533 1 13 . 1 1 4 4 SER HA H 4 3.996 3.996 4.315 -0.319 25516
534 1 13 . 1 1 4 4 SER CA C 4 59.701 59.701 59.608 0.094 25516
535 1 13 . 1 1 4 4 SER CB C 4 62.904 62.904 63.310 -0.406 25516
536 1 13 . 1 1 4 4 SER H H 4 7.625 7.625 8.200 -0.575 25516
537 1 13 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.949 -0.163 25516
538 1 13 . 1 1 5 5 ASP H H 5 7.500 7.500 7.545 -0.045 25516
539 1 13 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.269 -0.199 25516
540 1 13 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.895 0.077 25516
541 1 13 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.136 -0.222 25516
542 1 13 . 1 1 7 7 ARG H H 7 7.791 7.791 8.401 -0.610 25516
543 1 13 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.191 -0.177 25516
544 1 13 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.881 0.272 25516
545 1 13 . 1 1 8 8 PHE H H 8 7.691 7.691 7.895 -0.204 25516
546 1 13 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.279 -0.126 25516
547 1 13 . 1 1 9 9 ASN H H 9 8.578 8.578 7.981 0.597 25516
548 1 13 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.291 -0.539 25516
549 1 13 . 1 1 10 10 TYR H H 10 7.664 7.664 7.697 -0.033 25516
550 1 13 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.122 -0.134 25516
551 1 13 . 1 1 11 11 ASP H H 11 7.710 7.710 8.559 -0.849 25516
552 1 13 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.025 -0.031 25516
553 1 13 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.512 -2.630 25516
554 1 13 . 1 1 12 12 HIS H H 12 7.287 7.287 7.968 -0.681 25516
555 1 13 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.388 -0.201 25516
556 1 13 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.093 -0.110 25516
557 1 13 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.423 -0.015 25516
558 1 13 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.663 -0.316 25516
559 1 13 . 1 1 14 14 GLU H H 14 9.338 9.338 8.681 0.657 25516
560 1 13 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.766 0.217 25516
561 1 13 . 1 1 15 15 ILE H H 15 7.160 7.160 7.308 -0.148 25516
562 1 13 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.445 0.282 25516
563 1 13 . 1 1 16 16 CYS H H 16 8.042 8.042 7.625 0.417 25516
564 1 13 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.604 -0.158 25516
565 1 13 . 1 1 17 17 GLY H H 17 8.191 8.191 8.538 -0.347 25516
566 1 13 . 1 1 18 18 GLY H H 18 8.150 8.150 8.301 -0.151 25516
567 1 13 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.599 -0.519 25516
568 1 13 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.332 -0.939 25516
569 1 13 . 1 1 19 19 ALA H H 19 7.782 7.782 7.875 -0.093 25516
570 1 13 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.173 -0.179 25516
571 1 13 . 1 1 20 20 ALA H H 20 8.238 8.238 8.418 -0.180 25516
572 1 13 . 1 1 21 21 GLY H H 21 8.180 8.180 8.704 -0.524 25516
573 1 14 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.569 -0.412 25516
574 1 14 . 1 1 2 2 HIS H H 2 8.567 8.567 8.232 0.335 25516
575 1 14 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.596 -0.332 25516
576 1 14 . 1 1 3 3 CYS H H 3 7.901 7.901 8.089 -0.188 25516
577 1 14 . 1 1 4 4 SER HA H 4 3.996 3.996 4.308 -0.312 25516
578 1 14 . 1 1 4 4 SER CA C 4 59.701 59.701 59.688 0.013 25516
579 1 14 . 1 1 4 4 SER CB C 4 62.904 62.904 63.296 -0.392 25516
580 1 14 . 1 1 4 4 SER H H 4 7.625 7.625 8.180 -0.555 25516
581 1 14 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.951 -0.165 25516
582 1 14 . 1 1 5 5 ASP H H 5 7.500 7.500 7.531 -0.031 25516
583 1 14 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.249 -0.179 25516
584 1 14 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.956 0.016 25516
585 1 14 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.117 -0.203 25516
586 1 14 . 1 1 7 7 ARG H H 7 7.791 7.791 8.474 -0.683 25516
587 1 14 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.255 -0.241 25516
588 1 14 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.790 0.363 25516
589 1 14 . 1 1 8 8 PHE H H 8 7.691 7.691 7.871 -0.180 25516
590 1 14 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.314 -0.161 25516
591 1 14 . 1 1 9 9 ASN H H 9 8.578 8.578 7.980 0.598 25516
592 1 14 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.262 -0.510 25516
593 1 14 . 1 1 10 10 TYR H H 10 7.664 7.664 7.610 0.054 25516
594 1 14 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.111 -0.123 25516
595 1 14 . 1 1 11 11 ASP H H 11 7.710 7.710 8.492 -0.782 25516
596 1 14 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.076 -0.082 25516
597 1 14 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.633 -2.751 25516
598 1 14 . 1 1 12 12 HIS H H 12 7.287 7.287 7.950 -0.663 25516
599 1 14 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.511 -0.324 25516
600 1 14 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.088 -0.105 25516
601 1 14 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.075 -0.667 25516
602 1 14 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.965 -0.618 25516
603 1 14 . 1 1 14 14 GLU H H 14 9.338 9.338 8.555 0.783 25516
604 1 14 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.669 0.314 25516
605 1 14 . 1 1 15 15 ILE H H 15 7.160 7.160 7.888 -0.728 25516
606 1 14 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.403 0.324 25516
607 1 14 . 1 1 16 16 CYS H H 16 8.042 8.042 7.703 0.339 25516
608 1 14 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.517 -0.071 25516
609 1 14 . 1 1 17 17 GLY H H 17 8.191 8.191 8.052 0.139 25516
610 1 14 . 1 1 18 18 GLY H H 18 8.150 8.150 8.039 0.111 25516
611 1 14 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.872 0.208 25516
612 1 14 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.357 2.036 25516
613 1 14 . 1 1 19 19 ALA H H 19 7.782 7.782 7.583 0.199 25516
614 1 14 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.300 -0.306 25516
615 1 14 . 1 1 20 20 ALA H H 20 8.238 8.238 7.842 0.396 25516
616 1 14 . 1 1 21 21 GLY H H 21 8.180 8.180 8.699 -0.519 25516
617 1 15 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.813 -0.656 25516
618 1 15 . 1 1 2 2 HIS H H 2 8.567 8.567 8.868 -0.301 25516
619 1 15 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.927 -0.663 25516
620 1 15 . 1 1 3 3 CYS H H 3 7.901 7.901 8.803 -0.902 25516
621 1 15 . 1 1 4 4 SER HA H 4 3.996 3.996 4.484 -0.488 25516
622 1 15 . 1 1 4 4 SER CA C 4 59.701 59.701 60.415 -0.714 25516
623 1 15 . 1 1 4 4 SER CB C 4 62.904 62.904 63.934 -1.030 25516
624 1 15 . 1 1 4 4 SER H H 4 7.625 7.625 8.456 -0.831 25516
625 1 15 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.985 -0.199 25516
626 1 15 . 1 1 5 5 ASP H H 5 7.500 7.500 7.578 -0.078 25516
627 1 15 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.261 -0.191 25516
628 1 15 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.825 0.147 25516
629 1 15 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.185 -0.271 25516
630 1 15 . 1 1 7 7 ARG H H 7 7.791 7.791 8.678 -0.887 25516
631 1 15 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.781 -0.767 25516
632 1 15 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.809 0.344 25516
633 1 15 . 1 1 8 8 PHE H H 8 7.691 7.691 8.012 -0.321 25516
634 1 15 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.306 -0.153 25516
635 1 15 . 1 1 9 9 ASN H H 9 8.578 8.578 7.964 0.614 25516
636 1 15 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.301 -0.549 25516
637 1 15 . 1 1 10 10 TYR H H 10 7.664 7.664 7.910 -0.246 25516
638 1 15 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.169 -0.181 25516
639 1 15 . 1 1 11 11 ASP H H 11 7.710 7.710 8.465 -0.755 25516
640 1 15 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.208 -0.214 25516
641 1 15 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.223 -2.341 25516
642 1 15 . 1 1 12 12 HIS H H 12 7.287 7.287 7.906 -0.619 25516
643 1 15 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.364 -0.177 25516
644 1 15 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.082 -0.099 25516
645 1 15 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.012 -0.604 25516
646 1 15 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.685 -0.338 25516
647 1 15 . 1 1 14 14 GLU H H 14 9.338 9.338 8.846 0.492 25516
648 1 15 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.742 0.241 25516
649 1 15 . 1 1 15 15 ILE H H 15 7.160 7.160 7.346 -0.186 25516
650 1 15 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.278 0.449 25516
651 1 15 . 1 1 16 16 CYS H H 16 8.042 8.042 7.548 0.494 25516
652 1 15 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.030 0.416 25516
653 1 15 . 1 1 17 17 GLY H H 17 8.191 8.191 8.286 -0.095 25516
654 1 15 . 1 1 18 18 GLY H H 18 8.150 8.150 7.919 0.231 25516
655 1 15 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.939 0.141 25516
656 1 15 . 1 1 19 19 ALA CB C 19 19.393 19.393 16.956 2.437 25516
657 1 15 . 1 1 19 19 ALA H H 19 7.782 7.782 8.098 -0.316 25516
658 1 15 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.137 -0.143 25516
659 1 15 . 1 1 20 20 ALA H H 20 8.238 8.238 8.463 -0.225 25516
660 1 15 . 1 1 21 21 GLY H H 21 8.180 8.180 8.167 0.013 25516
661 1 16 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.775 -0.618 25516
662 1 16 . 1 1 2 2 HIS H H 2 8.567 8.567 8.580 -0.013 25516
663 1 16 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.755 -0.491 25516
664 1 16 . 1 1 3 3 CYS H H 3 7.901 7.901 8.696 -0.795 25516
665 1 16 . 1 1 4 4 SER HA H 4 3.996 3.996 4.260 -0.264 25516
666 1 16 . 1 1 4 4 SER CA C 4 59.701 59.701 59.567 0.134 25516
667 1 16 . 1 1 4 4 SER CB C 4 62.904 62.904 62.966 -0.062 25516
668 1 16 . 1 1 4 4 SER H H 4 7.625 7.625 7.891 -0.266 25516
669 1 16 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.033 -0.247 25516
670 1 16 . 1 1 5 5 ASP H H 5 7.500 7.500 7.762 -0.262 25516
671 1 16 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.246 -0.176 25516
672 1 16 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.072 -0.100 25516
673 1 16 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.226 -0.312 25516
674 1 16 . 1 1 7 7 ARG H H 7 7.791 7.791 8.247 -0.456 25516
675 1 16 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.230 -0.216 25516
676 1 16 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.054 0.099 25516
677 1 16 . 1 1 8 8 PHE H H 8 7.691 7.691 8.993 -1.302 25516
678 1 16 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.250 -0.097 25516
679 1 16 . 1 1 9 9 ASN H H 9 8.578 8.578 8.167 0.411 25516
680 1 16 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.284 -0.532 25516
681 1 16 . 1 1 10 10 TYR H H 10 7.664 7.664 7.581 0.083 25516
682 1 16 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.085 -0.097 25516
683 1 16 . 1 1 11 11 ASP H H 11 7.710 7.710 8.171 -0.461 25516
684 1 16 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.868 0.126 25516
685 1 16 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.329 -2.447 25516
686 1 16 . 1 1 12 12 HIS H H 12 7.287 7.287 8.160 -0.873 25516
687 1 16 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.381 -0.194 25516
688 1 16 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.065 -0.082 25516
689 1 16 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.852 -0.444 25516
690 1 16 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.584 -1.237 25516
691 1 16 . 1 1 14 14 GLU H H 14 9.338 9.338 8.529 0.809 25516
692 1 16 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.967 0.016 25516
693 1 16 . 1 1 15 15 ILE H H 15 7.160 7.160 7.409 -0.249 25516
694 1 16 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.678 0.049 25516
695 1 16 . 1 1 16 16 CYS H H 16 8.042 8.042 7.963 0.079 25516
696 1 16 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.635 0.811 25516
697 1 16 . 1 1 17 17 GLY H H 17 8.191 8.191 7.934 0.257 25516
698 1 16 . 1 1 18 18 GLY H H 18 8.150 8.150 7.946 0.204 25516
699 1 16 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.558 -0.478 25516
700 1 16 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.399 -0.006 25516
701 1 16 . 1 1 19 19 ALA H H 19 7.782 7.782 7.744 0.038 25516
702 1 16 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.902 0.092 25516
703 1 16 . 1 1 20 20 ALA H H 20 8.238 8.238 8.588 -0.350 25516
704 1 16 . 1 1 21 21 GLY H H 21 8.180 8.180 8.493 -0.313 25516
705 1 17 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.512 -0.355 25516
706 1 17 . 1 1 2 2 HIS H H 2 8.567 8.567 8.335 0.232 25516
707 1 17 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.704 -0.440 25516
708 1 17 . 1 1 3 3 CYS H H 3 7.901 7.901 8.351 -0.450 25516
709 1 17 . 1 1 4 4 SER HA H 4 3.996 3.996 4.398 -0.402 25516
710 1 17 . 1 1 4 4 SER CA C 4 59.701 59.701 59.704 -0.003 25516
711 1 17 . 1 1 4 4 SER CB C 4 62.904 62.904 63.392 -0.488 25516
712 1 17 . 1 1 4 4 SER H H 4 7.625 7.625 7.903 -0.278 25516
713 1 17 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.962 -0.176 25516
714 1 17 . 1 1 5 5 ASP H H 5 7.500 7.500 7.553 -0.053 25516
715 1 17 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.283 -0.213 25516
716 1 17 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.836 0.136 25516
717 1 17 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.174 -0.260 25516
718 1 17 . 1 1 7 7 ARG H H 7 7.791 7.791 8.366 -0.575 25516
719 1 17 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.731 -0.717 25516
720 1 17 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.788 0.366 25516
721 1 17 . 1 1 8 8 PHE H H 8 7.691 7.691 7.805 -0.114 25516
722 1 17 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.348 -0.195 25516
723 1 17 . 1 1 9 9 ASN H H 9 8.578 8.578 7.985 0.593 25516
724 1 17 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.439 -0.687 25516
725 1 17 . 1 1 10 10 TYR H H 10 7.664 7.664 7.810 -0.146 25516
726 1 17 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.108 -0.120 25516
727 1 17 . 1 1 11 11 ASP H H 11 7.710 7.710 8.400 -0.690 25516
728 1 17 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.914 0.080 25516
729 1 17 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.053 -2.171 25516
730 1 17 . 1 1 12 12 HIS H H 12 7.287 7.287 7.878 -0.592 25516
731 1 17 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.179 0.008 25516
732 1 17 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.019 -0.036 25516
733 1 17 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.174 -0.766 25516
734 1 17 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.229 -0.882 25516
735 1 17 . 1 1 14 14 GLU H H 14 9.338 9.338 8.657 0.681 25516
736 1 17 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.732 0.251 25516
737 1 17 . 1 1 15 15 ILE H H 15 7.160 7.160 7.341 -0.181 25516
738 1 17 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.334 0.393 25516
739 1 17 . 1 1 16 16 CYS H H 16 8.042 8.042 7.823 0.219 25516
740 1 17 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.473 -0.027 25516
741 1 17 . 1 1 17 17 GLY H H 17 8.191 8.191 8.307 -0.116 25516
742 1 17 . 1 1 18 18 GLY H H 18 8.150 8.150 7.857 0.293 25516
743 1 17 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.498 -0.418 25516
744 1 17 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.176 -0.783 25516
745 1 17 . 1 1 19 19 ALA H H 19 7.782 7.782 8.039 -0.257 25516
746 1 17 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.457 -0.463 25516
747 1 17 . 1 1 20 20 ALA H H 20 8.238 8.238 8.563 -0.325 25516
748 1 17 . 1 1 21 21 GLY H H 21 8.180 8.180 8.805 -0.625 25516
749 1 18 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.777 -0.620 25516
750 1 18 . 1 1 2 2 HIS H H 2 8.567 8.567 8.313 0.254 25516
751 1 18 . 1 1 3 3 CYS HA H 3 4.264 4.264 5.023 -0.759 25516
752 1 18 . 1 1 3 3 CYS H H 3 7.901 7.901 8.553 -0.652 25516
753 1 18 . 1 1 4 4 SER HA H 4 3.996 3.996 4.439 -0.443 25516
754 1 18 . 1 1 4 4 SER CA C 4 59.701 59.701 60.064 -0.363 25516
755 1 18 . 1 1 4 4 SER CB C 4 62.904 62.904 63.848 -0.944 25516
756 1 18 . 1 1 4 4 SER H H 4 7.625 7.625 8.020 -0.395 25516
757 1 18 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.967 -0.181 25516
758 1 18 . 1 1 5 5 ASP H H 5 7.500 7.500 7.852 -0.352 25516
759 1 18 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.287 -0.217 25516
760 1 18 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.915 0.057 25516
761 1 18 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.179 -0.265 25516
762 1 18 . 1 1 7 7 ARG H H 7 7.791 7.791 8.871 -1.080 25516
763 1 18 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.311 -0.297 25516
764 1 18 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.788 0.365 25516
765 1 18 . 1 1 8 8 PHE H H 8 7.691 7.691 7.750 -0.059 25516
766 1 18 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.223 -0.070 25516
767 1 18 . 1 1 9 9 ASN H H 9 8.578 8.578 7.916 0.662 25516
768 1 18 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.254 -0.502 25516
769 1 18 . 1 1 10 10 TYR H H 10 7.664 7.664 7.654 0.010 25516
770 1 18 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.134 -0.146 25516
771 1 18 . 1 1 11 11 ASP H H 11 7.710 7.710 8.265 -0.555 25516
772 1 18 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.871 0.123 25516
773 1 18 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.457 -1.575 25516
774 1 18 . 1 1 12 12 HIS H H 12 7.287 7.287 8.171 -0.884 25516
775 1 18 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.538 -0.351 25516
776 1 18 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.065 -0.082 25516
777 1 18 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.370 -0.962 25516
778 1 18 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.972 -0.625 25516
779 1 18 . 1 1 14 14 GLU H H 14 9.338 9.338 8.491 0.847 25516
780 1 18 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.785 0.198 25516
781 1 18 . 1 1 15 15 ILE H H 15 7.160 7.160 7.726 -0.566 25516
782 1 18 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.348 0.379 25516
783 1 18 . 1 1 16 16 CYS H H 16 8.042 8.042 7.949 0.093 25516
784 1 18 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.430 1.016 25516
785 1 18 . 1 1 17 17 GLY H H 17 8.191 8.191 8.119 0.072 25516
786 1 18 . 1 1 18 18 GLY H H 18 8.150 8.150 7.732 0.418 25516
787 1 18 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.551 -0.471 25516
788 1 18 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.444 1.949 25516
789 1 18 . 1 1 19 19 ALA H H 19 7.782 7.782 8.218 -0.436 25516
790 1 18 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.310 -0.316 25516
791 1 18 . 1 1 20 20 ALA H H 20 8.238 8.238 7.605 0.633 25516
792 1 18 . 1 1 21 21 GLY H H 21 8.180 8.180 8.760 -0.580 25516
793 1 19 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.439 -0.282 25516
794 1 19 . 1 1 2 2 HIS H H 2 8.567 8.567 8.567 0.000 25516
795 1 19 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.706 -0.442 25516
796 1 19 . 1 1 3 3 CYS H H 3 7.901 7.901 8.721 -0.820 25516
797 1 19 . 1 1 4 4 SER HA H 4 3.996 3.996 4.640 -0.644 25516
798 1 19 . 1 1 4 4 SER CA C 4 59.701 59.701 58.853 0.848 25516
799 1 19 . 1 1 4 4 SER CB C 4 62.904 62.904 64.992 -2.088 25516
800 1 19 . 1 1 4 4 SER H H 4 7.625 7.625 8.450 -0.825 25516
801 1 19 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.876 -0.090 25516
802 1 19 . 1 1 5 5 ASP H H 5 7.500 7.500 7.176 0.324 25516
803 1 19 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.209 -0.139 25516
804 1 19 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.744 -0.772 25516
805 1 19 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.523 -0.609 25516
806 1 19 . 1 1 7 7 ARG H H 7 7.791 7.791 8.489 -0.698 25516
807 1 19 . 1 1 8 8 PHE HA H 8 4.014 4.014 3.999 0.015 25516
808 1 19 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.834 0.319 25516
809 1 19 . 1 1 8 8 PHE H H 8 7.691 7.691 8.412 -0.721 25516
810 1 19 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.516 -0.363 25516
811 1 19 . 1 1 9 9 ASN H H 9 8.578 8.578 8.065 0.513 25516
812 1 19 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.329 -0.577 25516
813 1 19 . 1 1 10 10 TYR H H 10 7.664 7.664 8.348 -0.684 25516
814 1 19 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.236 -0.248 25516
815 1 19 . 1 1 11 11 ASP H H 11 7.710 7.710 8.124 -0.414 25516
816 1 19 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.983 0.011 25516
817 1 19 . 1 1 12 12 HIS CB C 12 27.882 27.882 28.878 -0.996 25516
818 1 19 . 1 1 12 12 HIS H H 12 7.287 7.287 7.358 -0.071 25516
819 1 19 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.344 -0.157 25516
820 1 19 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.071 -0.088 25516
821 1 19 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.013 -0.605 25516
822 1 19 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.021 -0.674 25516
823 1 19 . 1 1 14 14 GLU H H 14 9.338 9.338 8.690 0.648 25516
824 1 19 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.681 0.302 25516
825 1 19 . 1 1 15 15 ILE H H 15 7.160 7.160 7.587 -0.427 25516
826 1 19 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.474 0.253 25516
827 1 19 . 1 1 16 16 CYS H H 16 8.042 8.042 7.886 0.156 25516
828 1 19 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.364 1.082 25516
829 1 19 . 1 1 17 17 GLY H H 17 8.191 8.191 8.204 -0.013 25516
830 1 19 . 1 1 18 18 GLY H H 18 8.150 8.150 7.736 0.414 25516
831 1 19 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.444 -0.364 25516
832 1 19 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.015 -0.622 25516
833 1 19 . 1 1 19 19 ALA H H 19 7.782 7.782 8.203 -0.421 25516
834 1 19 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.906 0.088 25516
835 1 19 . 1 1 20 20 ALA H H 20 8.238 8.238 7.732 0.506 25516
836 1 19 . 1 1 21 21 GLY H H 21 8.180 8.180 8.329 -0.149 25516
837 1 20 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.571 -0.414 25516
838 1 20 . 1 1 2 2 HIS H H 2 8.567 8.567 8.768 -0.201 25516
839 1 20 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.832 -0.568 25516
840 1 20 . 1 1 3 3 CYS H H 3 7.901 7.901 8.059 -0.158 25516
841 1 20 . 1 1 4 4 SER HA H 4 3.996 3.996 4.330 -0.334 25516
842 1 20 . 1 1 4 4 SER CA C 4 59.701 59.701 60.088 -0.387 25516
843 1 20 . 1 1 4 4 SER CB C 4 62.904 62.904 63.360 -0.456 25516
844 1 20 . 1 1 4 4 SER H H 4 7.625 7.625 8.158 -0.533 25516
845 1 20 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.938 -0.152 25516
846 1 20 . 1 1 5 5 ASP H H 5 7.500 7.500 7.568 -0.068 25516
847 1 20 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.169 -0.099 25516
848 1 20 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.080 -0.108 25516
849 1 20 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.141 -0.227 25516
850 1 20 . 1 1 7 7 ARG H H 7 7.791 7.791 8.321 -0.530 25516
851 1 20 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.292 -0.278 25516
852 1 20 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.897 0.256 25516
853 1 20 . 1 1 8 8 PHE H H 8 7.691 7.691 7.748 -0.057 25516
854 1 20 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.335 -0.182 25516
855 1 20 . 1 1 9 9 ASN H H 9 8.578 8.578 8.129 0.449 25516
856 1 20 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.340 -0.588 25516
857 1 20 . 1 1 10 10 TYR H H 10 7.664 7.664 7.419 0.245 25516
858 1 20 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.070 -0.082 25516
859 1 20 . 1 1 11 11 ASP H H 11 7.710 7.710 8.228 -0.518 25516
860 1 20 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.934 0.060 25516
861 1 20 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.167 -2.285 25516
862 1 20 . 1 1 12 12 HIS H H 12 7.287 7.287 8.118 -0.831 25516
863 1 20 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.210 -0.023 25516
864 1 20 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.066 -0.083 25516
865 1 20 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.902 -0.494 25516
866 1 20 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.566 -0.219 25516
867 1 20 . 1 1 14 14 GLU H H 14 9.338 9.338 8.769 0.569 25516
868 1 20 . 1 1 15 15 ILE HA H 15 3.983 3.983 4.026 -0.043 25516
869 1 20 . 1 1 15 15 ILE H H 15 7.160 7.160 7.719 -0.559 25516
870 1 20 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.437 0.290 25516
871 1 20 . 1 1 16 16 CYS H H 16 8.042 8.042 7.696 0.346 25516
872 1 20 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.478 0.968 25516
873 1 20 . 1 1 17 17 GLY H H 17 8.191 8.191 8.176 0.015 25516
874 1 20 . 1 1 18 18 GLY H H 18 8.150 8.150 8.248 -0.098 25516
875 1 20 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.249 -0.169 25516
876 1 20 . 1 1 19 19 ALA CB C 19 19.393 19.393 18.952 0.441 25516
877 1 20 . 1 1 19 19 ALA H H 19 7.782 7.782 8.117 -0.335 25516
878 1 20 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.416 -0.422 25516
879 1 20 . 1 1 20 20 ALA H H 20 8.238 8.238 7.830 0.408 25516
880 1 20 . 1 1 21 21 GLY H H 21 8.180 8.180 8.553 -0.373 25516
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 25516
2 1 1 "Average Difference" HA 23 0.295 0.175 0.242 25516
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25516
4 1 1 "Average Difference" CA 4 0.422 -0.105 0.472 25516
5 1 1 "Average Difference" CB 5 0.812 0.584 0.631 25516
6 1 1 "Average Difference" HN 18 0.509 0.146 0.502 25516
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25516
8 1 2 "Average Difference" HA 23 0.330 0.209 0.261 25516
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25516
10 1 2 "Average Difference" CA 4 0.123 0.007 0.141 25516
11 1 2 "Average Difference" CB 5 1.559 0.791 1.503 25516
12 1 2 "Average Difference" HN 18 0.614 0.191 0.601 25516
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25516
14 1 3 "Average Difference" HA 23 0.383 0.202 0.334 25516
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25516
16 1 3 "Average Difference" CA 4 0.638 0.220 0.691 25516
17 1 3 "Average Difference" CB 5 1.132 0.261 1.232 25516
18 1 3 "Average Difference" HN 18 0.453 0.133 0.446 25516
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25516
20 1 4 "Average Difference" HA 23 0.294 0.146 0.261 25516
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25516
22 1 4 "Average Difference" CA 4 0.358 0.299 0.227 25516
23 1 4 "Average Difference" CB 5 0.673 0.426 0.583 25516
24 1 4 "Average Difference" HN 18 0.467 0.146 0.457 25516
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25516
26 1 5 "Average Difference" HA 23 0.318 0.188 0.263 25516
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25516
28 1 5 "Average Difference" CA 4 0.395 -0.018 0.456 25516
29 1 5 "Average Difference" CB 5 1.182 0.105 1.317 25516
30 1 5 "Average Difference" HN 18 0.634 0.108 0.643 25516
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25516
32 1 6 "Average Difference" HA 23 0.313 0.123 0.294 25516
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25516
34 1 6 "Average Difference" CA 4 0.634 0.587 0.275 25516
35 1 6 "Average Difference" CB 5 0.775 0.337 0.780 25516
36 1 6 "Average Difference" HN 18 0.575 0.141 0.573 25516
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25516
38 1 7 "Average Difference" HA 23 0.362 0.247 0.270 25516
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25516
40 1 7 "Average Difference" CA 4 0.503 0.264 0.494 25516
41 1 7 "Average Difference" CB 5 1.306 0.146 1.451 25516
42 1 7 "Average Difference" HN 18 0.379 0.040 0.388 25516
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25516
44 1 8 "Average Difference" HA 23 0.309 0.168 0.265 25516
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25516
46 1 8 "Average Difference" CA 4 0.546 -0.069 0.626 25516
47 1 8 "Average Difference" CB 5 1.231 0.798 1.048 25516
48 1 8 "Average Difference" HN 18 0.417 0.136 0.406 25516
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25516
50 1 9 "Average Difference" HA 23 0.290 0.181 0.232 25516
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25516
52 1 9 "Average Difference" CA 4 0.547 0.235 0.570 25516
53 1 9 "Average Difference" CB 5 1.082 0.713 0.910 25516
54 1 9 "Average Difference" HN 18 0.455 0.079 0.461 25516
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25516
56 1 10 "Average Difference" HA 23 0.326 0.249 0.214 25516
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25516
58 1 10 "Average Difference" CA 4 0.545 0.213 0.579 25516
59 1 10 "Average Difference" CB 5 0.818 0.639 0.571 25516
60 1 10 "Average Difference" HN 18 0.540 0.207 0.513 25516
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25516
62 1 11 "Average Difference" HA 23 0.322 0.212 0.248 25516
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25516
64 1 11 "Average Difference" CA 4 0.378 0.102 0.420 25516
65 1 11 "Average Difference" CB 5 1.202 0.813 0.989 25516
66 1 11 "Average Difference" HN 18 0.546 0.252 0.498 25516
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25516
68 1 12 "Average Difference" HA 23 0.324 0.157 0.290 25516
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25516
70 1 12 "Average Difference" CA 4 0.493 0.438 0.262 25516
71 1 12 "Average Difference" CB 5 1.218 0.533 1.224 25516
72 1 12 "Average Difference" HN 18 0.495 0.211 0.461 25516
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25516
74 1 13 "Average Difference" HA 23 0.281 0.156 0.239 25516
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25516
76 1 13 "Average Difference" CA 4 0.100 0.001 0.115 25516
77 1 13 "Average Difference" CB 5 1.276 0.804 1.108 25516
78 1 13 "Average Difference" HN 18 0.436 0.140 0.425 25516
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25516
80 1 14 "Average Difference" HA 23 0.246 0.112 0.224 25516
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25516
82 1 14 "Average Difference" CA 4 0.336 0.178 0.329 25516
83 1 14 "Average Difference" CB 5 1.574 0.272 1.733 25516
84 1 14 "Average Difference" HN 18 0.479 0.076 0.486 25516
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25516
86 1 15 "Average Difference" HA 23 0.367 0.200 0.314 25516
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25516
88 1 15 "Average Difference" CA 4 0.517 0.189 0.556 25516
89 1 15 "Average Difference" CB 5 1.595 0.186 1.771 25516
90 1 15 "Average Difference" HN 18 0.506 0.218 0.470 25516
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25516
92 1 16 "Average Difference" HA 23 0.275 0.190 0.203 25516
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25516
94 1 16 "Average Difference" CA 4 0.470 -0.100 0.530 25516
95 1 16 "Average Difference" CB 5 1.227 0.730 1.103 25516
96 1 16 "Average Difference" HN 18 0.520 0.192 0.498 25516
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25516
98 1 17 "Average Difference" HA 23 0.319 0.171 0.276 25516
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25516
100 1 17 "Average Difference" CA 4 0.389 0.165 0.407 25516
101 1 17 "Average Difference" CB 5 1.138 0.792 0.914 25516
102 1 17 "Average Difference" HN 18 0.414 0.132 0.404 25516
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25516
104 1 18 "Average Difference" HA 23 0.330 0.215 0.256 25516
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25516
106 1 18 "Average Difference" CA 4 0.723 0.063 0.832 25516
107 1 18 "Average Difference" CB 5 1.240 0.166 1.374 25516
108 1 18 "Average Difference" HN 18 0.559 0.143 0.556 25516
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25516
110 1 19 "Average Difference" HA 23 0.322 0.209 0.250 25516
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25516
112 1 19 "Average Difference" CA 4 0.844 -0.138 0.962 25516
113 1 19 "Average Difference" CB 5 1.122 0.812 0.866 25516
114 1 19 "Average Difference" HN 18 0.507 0.149 0.499 25516
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25516
116 1 20 "Average Difference" HA 23 0.285 0.135 0.257 25516
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25516
118 1 20 "Average Difference" CA 4 0.579 0.005 0.669 25516
119 1 20 "Average Difference" CB 5 1.071 0.453 1.086 25516
120 1 20 "Average Difference" HN 18 0.411 0.124 0.403 25516
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 25516
_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 HIS HA H 2 4.157 4.157 4.716 -0.559 25516
2 1 . 1 1 2 2 HIS H H 2 8.567 8.567 8.446 0.121 25516
3 1 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.756 -0.492 25516
4 1 . 1 1 3 3 CYS H H 3 7.901 7.901 8.215 -0.314 25516
5 1 . 1 1 4 4 SER HA H 4 3.996 3.996 4.378 -0.382 25516
6 1 . 1 1 4 4 SER CA C 4 59.701 59.701 59.828 -0.127 25516
7 1 . 1 1 4 4 SER CB C 4 62.904 62.904 63.389 -0.485 25516
8 1 . 1 1 4 4 SER H H 4 7.625 7.625 8.106 -0.481 25516
9 1 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.946 -0.160 25516
10 1 . 1 1 5 5 ASP H H 5 7.500 7.500 7.589 -0.089 25516
11 1 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.293 -0.223 25516
12 1 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.032 -0.060 25516
13 1 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.207 -0.293 25516
14 1 . 1 1 7 7 ARG H H 7 7.791 7.791 8.488 -0.697 25516
15 1 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.405 -0.391 25516
16 1 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.907 0.246 25516
17 1 . 1 1 8 8 PHE H H 8 7.691 7.691 8.248 -0.557 25516
18 1 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.328 -0.175 25516
19 1 . 1 1 9 9 ASN H H 9 8.578 8.578 7.989 0.589 25516
20 1 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.318 -0.566 25516
21 1 . 1 1 10 10 TYR H H 10 7.664 7.664 7.684 -0.020 25516
22 1 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.115 -0.127 25516
23 1 . 1 1 11 11 ASP H H 11 7.710 7.710 8.293 -0.583 25516
24 1 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.974 0.020 25516
25 1 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.959 -2.077 25516
26 1 . 1 1 12 12 HIS H H 12 7.287 7.287 7.936 -0.649 25516
27 1 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.377 -0.190 25516
28 1 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.066 -0.083 25516
29 1 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.946 -0.538 25516
30 1 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.878 -0.531 25516
31 1 . 1 1 14 14 GLU H H 14 9.338 9.338 8.672 0.666 25516
32 1 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.819 0.164 25516
33 1 . 1 1 15 15 ILE H H 15 7.160 7.160 7.608 -0.448 25516
34 1 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.457 0.270 25516
35 1 . 1 1 16 16 CYS H H 16 8.042 8.042 7.790 0.252 25516
36 1 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.229 0.217 25516
37 1 . 1 1 17 17 GLY H H 17 8.191 8.191 8.356 -0.165 25516
38 1 . 1 1 18 18 GLY H H 18 8.150 8.150 8.050 0.100 25516
39 1 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.373 -0.293 25516
40 1 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.135 0.258 25516
41 1 . 1 1 19 19 ALA H H 19 7.782 7.782 7.946 -0.164 25516
42 1 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.185 -0.191 25516
43 1 . 1 1 20 20 ALA H H 20 8.238 8.238 8.239 -0.001 25516
44 1 . 1 1 21 21 GLY H H 21 8.180 8.180 8.407 -0.227 25516
stop_
save_