data_19808
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19808
_Entry.PDB_ID 2ML7
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 19808
_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 LYS HA H 2 4.599 4.599 4.404 0.195 19808
2 1 1 . 1 1 2 2 LYS H H 2 9.033 9.033 8.763 0.270 19808
3 1 1 . 1 1 3 3 SER HA H 3 4.423 4.423 4.502 -0.079 19808
4 1 1 . 1 1 3 3 SER H H 3 8.441 8.441 8.672 -0.231 19808
5 1 1 . 1 1 4 4 GLY H H 4 8.500 8.500 7.630 0.870 19808
6 1 1 . 1 1 5 5 GLY H H 5 9.345 9.345 8.461 0.884 19808
7 1 1 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.624 0.005 19808
8 1 1 . 1 1 6 6 ALA H H 6 8.091 8.091 7.494 0.597 19808
9 1 1 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.984 -0.306 19808
10 1 1 . 1 1 7 7 TRP H H 7 8.744 8.744 8.675 0.069 19808
11 1 1 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.577 -0.143 19808
12 1 1 . 1 1 8 8 CYS H H 8 8.998 8.998 7.995 1.003 19808
13 1 1 . 1 1 9 9 GLY H H 9 5.291 5.291 7.464 -2.173 19808
14 1 1 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.424 0.317 19808
15 1 1 . 1 1 10 10 PHE H H 10 7.372 7.372 7.830 -0.458 19808
16 1 1 . 1 1 11 11 ASP HA H 11 4.947 4.947 5.054 -0.107 19808
17 1 1 . 1 1 11 11 ASP H H 11 7.401 7.401 7.128 0.273 19808
18 1 1 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.209 0.150 19808
19 1 1 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.886 0.145 19808
20 1 1 . 1 1 13 13 HIS H H 13 8.425 8.425 7.767 0.658 19808
21 1 1 . 1 1 14 14 GLY H H 14 7.982 7.982 7.533 0.449 19808
22 1 1 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.688 0.226 19808
23 1 1 . 1 1 15 15 CYS H H 15 8.581 8.581 7.796 0.785 19808
24 1 1 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.345 0.314 19808
25 1 1 . 1 1 16 16 CYS H H 16 9.591 9.591 8.785 0.806 19808
26 1 1 . 1 1 17 17 GLY H H 17 8.708 8.708 8.381 0.327 19808
27 1 1 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.733 0.185 19808
28 1 1 . 1 1 18 18 ASN H H 18 8.154 8.154 8.545 -0.391 19808
29 1 1 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.632 -0.383 19808
30 1 1 . 1 1 19 19 CYS H H 19 7.826 7.826 7.634 0.192 19808
31 1 1 . 1 1 20 20 GLY H H 20 8.460 8.460 8.059 0.401 19808
32 1 1 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.840 -0.055 19808
33 1 1 . 1 1 21 21 CYS H H 21 8.660 8.660 8.364 0.296 19808
34 1 1 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.113 0.508 19808
35 1 1 . 1 1 22 22 LEU H H 22 8.922 8.922 8.155 0.767 19808
36 1 1 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.185 -0.533 19808
37 1 1 . 1 1 23 23 VAL H H 23 9.172 9.172 7.636 1.536 19808
38 1 1 . 1 1 24 24 GLY H H 24 7.462 7.462 7.224 0.238 19808
39 1 1 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.364 0.081 19808
40 1 1 . 1 1 25 25 PHE H H 25 7.698 7.698 6.994 0.704 19808
41 1 1 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.376 0.726 19808
42 1 1 . 1 1 26 26 CYS H H 26 8.727 8.727 8.889 -0.162 19808
43 1 1 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.892 0.024 19808
44 1 1 . 1 1 27 27 TYR H H 27 9.615 9.615 9.065 0.550 19808
45 1 1 . 1 1 28 28 GLY H H 28 8.016 8.016 8.121 -0.105 19808
46 1 1 . 1 1 29 29 THR HA H 29 4.342 4.342 4.484 -0.142 19808
47 1 1 . 1 1 29 29 THR H H 29 8.291 8.291 8.052 0.239 19808
48 1 1 . 1 1 30 30 GLY H H 30 8.670 8.670 8.041 0.629 19808
49 1 2 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.538 0.061 19808
50 1 2 . 1 1 2 2 LYS H H 2 9.033 9.033 8.744 0.289 19808
51 1 2 . 1 1 3 3 SER HA H 3 4.423 4.423 4.288 0.135 19808
52 1 2 . 1 1 3 3 SER H H 3 8.441 8.441 8.941 -0.500 19808
53 1 2 . 1 1 4 4 GLY H H 4 8.500 8.500 7.428 1.072 19808
54 1 2 . 1 1 5 5 GLY H H 5 9.345 9.345 8.353 0.992 19808
55 1 2 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.604 0.025 19808
56 1 2 . 1 1 6 6 ALA H H 6 8.091 8.091 7.530 0.561 19808
57 1 2 . 1 1 7 7 TRP HA H 7 4.678 4.678 5.030 -0.352 19808
58 1 2 . 1 1 7 7 TRP H H 7 8.744 8.744 8.624 0.120 19808
59 1 2 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.532 -0.098 19808
60 1 2 . 1 1 8 8 CYS H H 8 8.998 8.998 7.922 1.076 19808
61 1 2 . 1 1 9 9 GLY H H 9 5.291 5.291 7.494 -2.203 19808
62 1 2 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.408 0.333 19808
63 1 2 . 1 1 10 10 PHE H H 10 7.372 7.372 7.950 -0.578 19808
64 1 2 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.896 0.051 19808
65 1 2 . 1 1 11 11 ASP H H 11 7.401 7.401 7.000 0.401 19808
66 1 2 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.231 0.128 19808
67 1 2 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.875 0.156 19808
68 1 2 . 1 1 13 13 HIS H H 13 8.425 8.425 8.004 0.421 19808
69 1 2 . 1 1 14 14 GLY H H 14 7.982 7.982 7.453 0.529 19808
70 1 2 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.676 0.238 19808
71 1 2 . 1 1 15 15 CYS H H 15 8.581 8.581 7.821 0.760 19808
72 1 2 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.328 0.331 19808
73 1 2 . 1 1 16 16 CYS H H 16 9.591 9.591 8.795 0.796 19808
74 1 2 . 1 1 17 17 GLY H H 17 8.708 8.708 8.394 0.314 19808
75 1 2 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.724 0.194 19808
76 1 2 . 1 1 18 18 ASN H H 18 8.154 8.154 8.546 -0.392 19808
77 1 2 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.629 -0.380 19808
78 1 2 . 1 1 19 19 CYS H H 19 7.826 7.826 7.619 0.207 19808
79 1 2 . 1 1 20 20 GLY H H 20 8.460 8.460 8.063 0.397 19808
80 1 2 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.879 -0.094 19808
81 1 2 . 1 1 21 21 CYS H H 21 8.660 8.660 8.516 0.144 19808
82 1 2 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.175 0.446 19808
83 1 2 . 1 1 22 22 LEU H H 22 8.922 8.922 8.212 0.710 19808
84 1 2 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.207 -0.555 19808
85 1 2 . 1 1 23 23 VAL H H 23 9.172 9.172 7.640 1.532 19808
86 1 2 . 1 1 24 24 GLY H H 24 7.462 7.462 7.258 0.204 19808
87 1 2 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.401 0.044 19808
88 1 2 . 1 1 25 25 PHE H H 25 7.698 7.698 7.004 0.694 19808
89 1 2 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.411 0.691 19808
90 1 2 . 1 1 26 26 CYS H H 26 8.727 8.727 8.868 -0.141 19808
91 1 2 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.900 0.016 19808
92 1 2 . 1 1 27 27 TYR H H 27 9.615 9.615 9.077 0.538 19808
93 1 2 . 1 1 28 28 GLY H H 28 8.016 8.016 8.136 -0.120 19808
94 1 2 . 1 1 29 29 THR HA H 29 4.342 4.342 4.537 -0.195 19808
95 1 2 . 1 1 29 29 THR H H 29 8.291 8.291 7.995 0.296 19808
96 1 2 . 1 1 30 30 GLY H H 30 8.670 8.670 8.037 0.633 19808
97 1 3 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.369 0.230 19808
98 1 3 . 1 1 2 2 LYS H H 2 9.033 9.033 8.509 0.524 19808
99 1 3 . 1 1 3 3 SER HA H 3 4.423 4.423 4.566 -0.143 19808
100 1 3 . 1 1 3 3 SER H H 3 8.441 8.441 8.467 -0.026 19808
101 1 3 . 1 1 4 4 GLY H H 4 8.500 8.500 7.607 0.893 19808
102 1 3 . 1 1 5 5 GLY H H 5 9.345 9.345 8.436 0.909 19808
103 1 3 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.623 0.006 19808
104 1 3 . 1 1 6 6 ALA H H 6 8.091 8.091 7.471 0.620 19808
105 1 3 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.967 -0.289 19808
106 1 3 . 1 1 7 7 TRP H H 7 8.744 8.744 8.561 0.183 19808
107 1 3 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.799 -0.365 19808
108 1 3 . 1 1 8 8 CYS H H 8 8.998 8.998 8.255 0.743 19808
109 1 3 . 1 1 9 9 GLY H H 9 5.291 5.291 7.675 -2.384 19808
110 1 3 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.348 0.393 19808
111 1 3 . 1 1 10 10 PHE H H 10 7.372 7.372 7.892 -0.520 19808
112 1 3 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.892 0.055 19808
113 1 3 . 1 1 11 11 ASP H H 11 7.401 7.401 7.017 0.384 19808
114 1 3 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.253 0.106 19808
115 1 3 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.766 0.265 19808
116 1 3 . 1 1 13 13 HIS H H 13 8.425 8.425 7.892 0.533 19808
117 1 3 . 1 1 14 14 GLY H H 14 7.982 7.982 7.308 0.674 19808
118 1 3 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.649 0.265 19808
119 1 3 . 1 1 15 15 CYS H H 15 8.581 8.581 8.389 0.192 19808
120 1 3 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.359 0.300 19808
121 1 3 . 1 1 16 16 CYS H H 16 9.591 9.591 8.453 1.138 19808
122 1 3 . 1 1 17 17 GLY H H 17 8.708 8.708 7.693 1.015 19808
123 1 3 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.716 0.202 19808
124 1 3 . 1 1 18 18 ASN H H 18 8.154 8.154 8.526 -0.372 19808
125 1 3 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.651 -0.402 19808
126 1 3 . 1 1 19 19 CYS H H 19 7.826 7.826 7.565 0.261 19808
127 1 3 . 1 1 20 20 GLY H H 20 8.460 8.460 8.091 0.369 19808
128 1 3 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.823 -0.038 19808
129 1 3 . 1 1 21 21 CYS H H 21 8.660 8.660 8.398 0.262 19808
130 1 3 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.164 0.457 19808
131 1 3 . 1 1 22 22 LEU H H 22 8.922 8.922 8.298 0.624 19808
132 1 3 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.181 -0.529 19808
133 1 3 . 1 1 23 23 VAL H H 23 9.172 9.172 7.619 1.553 19808
134 1 3 . 1 1 24 24 GLY H H 24 7.462 7.462 7.189 0.273 19808
135 1 3 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.295 0.150 19808
136 1 3 . 1 1 25 25 PHE H H 25 7.698 7.698 7.319 0.379 19808
137 1 3 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.382 0.720 19808
138 1 3 . 1 1 26 26 CYS H H 26 8.727 8.727 8.876 -0.149 19808
139 1 3 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.901 0.015 19808
140 1 3 . 1 1 27 27 TYR H H 27 9.615 9.615 9.136 0.479 19808
141 1 3 . 1 1 28 28 GLY H H 28 8.016 8.016 8.083 -0.067 19808
142 1 3 . 1 1 29 29 THR HA H 29 4.342 4.342 4.544 -0.202 19808
143 1 3 . 1 1 29 29 THR H H 29 8.291 8.291 8.011 0.280 19808
144 1 3 . 1 1 30 30 GLY H H 30 8.670 8.670 8.033 0.637 19808
145 1 4 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.502 0.097 19808
146 1 4 . 1 1 2 2 LYS H H 2 9.033 9.033 8.692 0.341 19808
147 1 4 . 1 1 3 3 SER HA H 3 4.423 4.423 4.460 -0.037 19808
148 1 4 . 1 1 3 3 SER H H 3 8.441 8.441 8.774 -0.333 19808
149 1 4 . 1 1 4 4 GLY H H 4 8.500 8.500 7.408 1.092 19808
150 1 4 . 1 1 5 5 GLY H H 5 9.345 9.345 8.538 0.807 19808
151 1 4 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.585 0.044 19808
152 1 4 . 1 1 6 6 ALA H H 6 8.091 8.091 7.411 0.680 19808
153 1 4 . 1 1 7 7 TRP HA H 7 4.678 4.678 5.043 -0.365 19808
154 1 4 . 1 1 7 7 TRP H H 7 8.744 8.744 8.679 0.065 19808
155 1 4 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.671 -0.237 19808
156 1 4 . 1 1 8 8 CYS H H 8 8.998 8.998 8.468 0.530 19808
157 1 4 . 1 1 9 9 GLY H H 9 5.291 5.291 7.519 -2.228 19808
158 1 4 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.459 0.282 19808
159 1 4 . 1 1 10 10 PHE H H 10 7.372 7.372 8.000 -0.628 19808
160 1 4 . 1 1 11 11 ASP HA H 11 4.947 4.947 5.046 -0.099 19808
161 1 4 . 1 1 11 11 ASP H H 11 7.401 7.401 6.955 0.446 19808
162 1 4 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.200 0.159 19808
163 1 4 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.831 0.200 19808
164 1 4 . 1 1 13 13 HIS H H 13 8.425 8.425 8.022 0.403 19808
165 1 4 . 1 1 14 14 GLY H H 14 7.982 7.982 7.517 0.465 19808
166 1 4 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.656 0.258 19808
167 1 4 . 1 1 15 15 CYS H H 15 8.581 8.581 7.747 0.834 19808
168 1 4 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.337 0.322 19808
169 1 4 . 1 1 16 16 CYS H H 16 9.591 9.591 8.793 0.798 19808
170 1 4 . 1 1 17 17 GLY H H 17 8.708 8.708 7.731 0.977 19808
171 1 4 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.684 0.234 19808
172 1 4 . 1 1 18 18 ASN H H 18 8.154 8.154 8.400 -0.246 19808
173 1 4 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.640 -0.391 19808
174 1 4 . 1 1 19 19 CYS H H 19 7.826 7.826 7.991 -0.165 19808
175 1 4 . 1 1 20 20 GLY H H 20 8.460 8.460 8.362 0.098 19808
176 1 4 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.706 0.079 19808
177 1 4 . 1 1 21 21 CYS H H 21 8.660 8.660 8.311 0.349 19808
178 1 4 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.115 0.506 19808
179 1 4 . 1 1 22 22 LEU H H 22 8.922 8.922 8.130 0.792 19808
180 1 4 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.110 -0.458 19808
181 1 4 . 1 1 23 23 VAL H H 23 9.172 9.172 7.592 1.580 19808
182 1 4 . 1 1 24 24 GLY H H 24 7.462 7.462 7.025 0.437 19808
183 1 4 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.340 0.105 19808
184 1 4 . 1 1 25 25 PHE H H 25 7.698 7.698 6.846 0.852 19808
185 1 4 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.312 0.790 19808
186 1 4 . 1 1 26 26 CYS H H 26 8.727 8.727 8.869 -0.142 19808
187 1 4 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.696 0.220 19808
188 1 4 . 1 1 27 27 TYR H H 27 9.615 9.615 8.372 1.243 19808
189 1 4 . 1 1 28 28 GLY H H 28 8.016 8.016 8.014 0.002 19808
190 1 4 . 1 1 29 29 THR HA H 29 4.342 4.342 4.414 -0.072 19808
191 1 4 . 1 1 29 29 THR H H 29 8.291 8.291 8.162 0.129 19808
192 1 4 . 1 1 30 30 GLY H H 30 8.670 8.670 8.354 0.316 19808
193 1 5 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.431 0.168 19808
194 1 5 . 1 1 2 2 LYS H H 2 9.033 9.033 8.510 0.523 19808
195 1 5 . 1 1 3 3 SER HA H 3 4.423 4.423 4.589 -0.166 19808
196 1 5 . 1 1 3 3 SER H H 3 8.441 8.441 8.491 -0.050 19808
197 1 5 . 1 1 4 4 GLY H H 4 8.500 8.500 7.640 0.860 19808
198 1 5 . 1 1 5 5 GLY H H 5 9.345 9.345 8.384 0.961 19808
199 1 5 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.745 -0.116 19808
200 1 5 . 1 1 6 6 ALA H H 6 8.091 8.091 7.670 0.421 19808
201 1 5 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.866 -0.188 19808
202 1 5 . 1 1 7 7 TRP H H 7 8.744 8.744 8.696 0.048 19808
203 1 5 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.970 -0.536 19808
204 1 5 . 1 1 8 8 CYS H H 8 8.998 8.998 8.039 0.959 19808
205 1 5 . 1 1 9 9 GLY H H 9 5.291 5.291 7.706 -2.415 19808
206 1 5 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.457 0.284 19808
207 1 5 . 1 1 10 10 PHE H H 10 7.372 7.372 7.876 -0.504 19808
208 1 5 . 1 1 11 11 ASP HA H 11 4.947 4.947 5.019 -0.072 19808
209 1 5 . 1 1 11 11 ASP H H 11 7.401 7.401 7.008 0.393 19808
210 1 5 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.282 0.077 19808
211 1 5 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.734 0.297 19808
212 1 5 . 1 1 13 13 HIS H H 13 8.425 8.425 7.868 0.557 19808
213 1 5 . 1 1 14 14 GLY H H 14 7.982 7.982 7.465 0.517 19808
214 1 5 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.172 0.742 19808
215 1 5 . 1 1 15 15 CYS H H 15 8.581 8.581 7.979 0.602 19808
216 1 5 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.489 0.170 19808
217 1 5 . 1 1 16 16 CYS H H 16 9.591 9.591 8.627 0.964 19808
218 1 5 . 1 1 17 17 GLY H H 17 8.708 8.708 7.802 0.906 19808
219 1 5 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.660 0.258 19808
220 1 5 . 1 1 18 18 ASN H H 18 8.154 8.154 8.468 -0.314 19808
221 1 5 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.698 -0.449 19808
222 1 5 . 1 1 19 19 CYS H H 19 7.826 7.826 7.596 0.230 19808
223 1 5 . 1 1 20 20 GLY H H 20 8.460 8.460 8.245 0.215 19808
224 1 5 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.804 -0.019 19808
225 1 5 . 1 1 21 21 CYS H H 21 8.660 8.660 8.366 0.294 19808
226 1 5 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.201 0.420 19808
227 1 5 . 1 1 22 22 LEU H H 22 8.922 8.922 8.146 0.776 19808
228 1 5 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.174 -0.522 19808
229 1 5 . 1 1 23 23 VAL H H 23 9.172 9.172 7.584 1.588 19808
230 1 5 . 1 1 24 24 GLY H H 24 7.462 7.462 7.211 0.251 19808
231 1 5 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.187 0.258 19808
232 1 5 . 1 1 25 25 PHE H H 25 7.698 7.698 7.312 0.386 19808
233 1 5 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.373 0.729 19808
234 1 5 . 1 1 26 26 CYS H H 26 8.727 8.727 8.781 -0.054 19808
235 1 5 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.876 0.040 19808
236 1 5 . 1 1 27 27 TYR H H 27 9.615 9.615 8.992 0.623 19808
237 1 5 . 1 1 28 28 GLY H H 28 8.016 8.016 8.078 -0.062 19808
238 1 5 . 1 1 29 29 THR HA H 29 4.342 4.342 4.459 -0.117 19808
239 1 5 . 1 1 29 29 THR H H 29 8.291 8.291 8.085 0.206 19808
240 1 5 . 1 1 30 30 GLY H H 30 8.670 8.670 7.908 0.762 19808
241 1 6 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.569 0.030 19808
242 1 6 . 1 1 2 2 LYS H H 2 9.033 9.033 8.695 0.338 19808
243 1 6 . 1 1 3 3 SER HA H 3 4.423 4.423 4.508 -0.085 19808
244 1 6 . 1 1 3 3 SER H H 3 8.441 8.441 8.685 -0.244 19808
245 1 6 . 1 1 4 4 GLY H H 4 8.500 8.500 7.590 0.910 19808
246 1 6 . 1 1 5 5 GLY H H 5 9.345 9.345 8.580 0.765 19808
247 1 6 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.570 0.059 19808
248 1 6 . 1 1 6 6 ALA H H 6 8.091 8.091 7.518 0.573 19808
249 1 6 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.921 -0.243 19808
250 1 6 . 1 1 7 7 TRP H H 7 8.744 8.744 8.812 -0.068 19808
251 1 6 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.667 -0.233 19808
252 1 6 . 1 1 8 8 CYS H H 8 8.998 8.998 8.488 0.510 19808
253 1 6 . 1 1 9 9 GLY H H 9 5.291 5.291 7.523 -2.232 19808
254 1 6 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.299 0.442 19808
255 1 6 . 1 1 10 10 PHE H H 10 7.372 7.372 7.909 -0.537 19808
256 1 6 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.780 0.167 19808
257 1 6 . 1 1 11 11 ASP H H 11 7.401 7.401 6.953 0.448 19808
258 1 6 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.251 0.108 19808
259 1 6 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.902 0.129 19808
260 1 6 . 1 1 13 13 HIS H H 13 8.425 8.425 7.508 0.917 19808
261 1 6 . 1 1 14 14 GLY H H 14 7.982 7.982 7.339 0.643 19808
262 1 6 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.632 0.282 19808
263 1 6 . 1 1 15 15 CYS H H 15 8.581 8.581 7.704 0.877 19808
264 1 6 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.470 0.189 19808
265 1 6 . 1 1 16 16 CYS H H 16 9.591 9.591 8.835 0.756 19808
266 1 6 . 1 1 17 17 GLY H H 17 8.708 8.708 7.526 1.182 19808
267 1 6 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.737 0.181 19808
268 1 6 . 1 1 18 18 ASN H H 18 8.154 8.154 8.534 -0.380 19808
269 1 6 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.644 -0.395 19808
270 1 6 . 1 1 19 19 CYS H H 19 7.826 7.826 7.566 0.260 19808
271 1 6 . 1 1 20 20 GLY H H 20 8.460 8.460 8.256 0.204 19808
272 1 6 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.800 -0.015 19808
273 1 6 . 1 1 21 21 CYS H H 21 8.660 8.660 8.347 0.313 19808
274 1 6 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.133 0.488 19808
275 1 6 . 1 1 22 22 LEU H H 22 8.922 8.922 7.960 0.962 19808
276 1 6 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.195 -0.543 19808
277 1 6 . 1 1 23 23 VAL H H 23 9.172 9.172 7.619 1.553 19808
278 1 6 . 1 1 24 24 GLY H H 24 7.462 7.462 7.846 -0.384 19808
279 1 6 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.169 0.276 19808
280 1 6 . 1 1 25 25 PHE H H 25 7.698 7.698 6.806 0.892 19808
281 1 6 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.377 0.725 19808
282 1 6 . 1 1 26 26 CYS H H 26 8.727 8.727 8.829 -0.102 19808
283 1 6 . 1 1 27 27 TYR HA H 27 4.916 4.916 5.016 -0.100 19808
284 1 6 . 1 1 27 27 TYR H H 27 9.615 9.615 9.133 0.482 19808
285 1 6 . 1 1 28 28 GLY H H 28 8.016 8.016 8.144 -0.128 19808
286 1 6 . 1 1 29 29 THR HA H 29 4.342 4.342 4.472 -0.130 19808
287 1 6 . 1 1 29 29 THR H H 29 8.291 8.291 8.087 0.204 19808
288 1 6 . 1 1 30 30 GLY H H 30 8.670 8.670 8.079 0.591 19808
289 1 7 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.385 0.214 19808
290 1 7 . 1 1 2 2 LYS H H 2 9.033 9.033 8.517 0.516 19808
291 1 7 . 1 1 3 3 SER HA H 3 4.423 4.423 4.604 -0.181 19808
292 1 7 . 1 1 3 3 SER H H 3 8.441 8.441 8.527 -0.086 19808
293 1 7 . 1 1 4 4 GLY H H 4 8.500 8.500 7.633 0.867 19808
294 1 7 . 1 1 5 5 GLY H H 5 9.345 9.345 8.388 0.957 19808
295 1 7 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.739 -0.111 19808
296 1 7 . 1 1 6 6 ALA H H 6 8.091 8.091 7.683 0.408 19808
297 1 7 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.821 -0.143 19808
298 1 7 . 1 1 7 7 TRP H H 7 8.744 8.744 8.583 0.161 19808
299 1 7 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.977 -0.543 19808
300 1 7 . 1 1 8 8 CYS H H 8 8.998 8.998 8.249 0.749 19808
301 1 7 . 1 1 9 9 GLY H H 9 5.291 5.291 7.662 -2.371 19808
302 1 7 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.430 0.311 19808
303 1 7 . 1 1 10 10 PHE H H 10 7.372 7.372 7.908 -0.536 19808
304 1 7 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.707 0.240 19808
305 1 7 . 1 1 11 11 ASP H H 11 7.401 7.401 6.819 0.582 19808
306 1 7 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.206 0.153 19808
307 1 7 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.751 0.280 19808
308 1 7 . 1 1 13 13 HIS H H 13 8.425 8.425 7.213 1.212 19808
309 1 7 . 1 1 14 14 GLY H H 14 7.982 7.982 7.370 0.612 19808
310 1 7 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.180 0.734 19808
311 1 7 . 1 1 15 15 CYS H H 15 8.581 8.581 7.984 0.597 19808
312 1 7 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.454 0.205 19808
313 1 7 . 1 1 16 16 CYS H H 16 9.591 9.591 8.769 0.822 19808
314 1 7 . 1 1 17 17 GLY H H 17 8.708 8.708 7.881 0.827 19808
315 1 7 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.662 0.256 19808
316 1 7 . 1 1 18 18 ASN H H 18 8.154 8.154 8.460 -0.306 19808
317 1 7 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.652 -0.403 19808
318 1 7 . 1 1 19 19 CYS H H 19 7.826 7.826 7.594 0.232 19808
319 1 7 . 1 1 20 20 GLY H H 20 8.460 8.460 8.245 0.215 19808
320 1 7 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.771 0.014 19808
321 1 7 . 1 1 21 21 CYS H H 21 8.660 8.660 8.373 0.287 19808
322 1 7 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.220 0.401 19808
323 1 7 . 1 1 22 22 LEU H H 22 8.922 8.922 8.163 0.759 19808
324 1 7 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.163 -0.511 19808
325 1 7 . 1 1 23 23 VAL H H 23 9.172 9.172 7.554 1.618 19808
326 1 7 . 1 1 24 24 GLY H H 24 7.462 7.462 7.199 0.263 19808
327 1 7 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.201 0.244 19808
328 1 7 . 1 1 25 25 PHE H H 25 7.698 7.698 7.305 0.393 19808
329 1 7 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.344 0.758 19808
330 1 7 . 1 1 26 26 CYS H H 26 8.727 8.727 8.766 -0.039 19808
331 1 7 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.856 0.060 19808
332 1 7 . 1 1 27 27 TYR H H 27 9.615 9.615 8.841 0.774 19808
333 1 7 . 1 1 28 28 GLY H H 28 8.016 8.016 7.973 0.043 19808
334 1 7 . 1 1 29 29 THR HA H 29 4.342 4.342 4.528 -0.186 19808
335 1 7 . 1 1 29 29 THR H H 29 8.291 8.291 8.072 0.219 19808
336 1 7 . 1 1 30 30 GLY H H 30 8.670 8.670 7.966 0.704 19808
337 1 8 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.429 0.170 19808
338 1 8 . 1 1 2 2 LYS H H 2 9.033 9.033 8.501 0.532 19808
339 1 8 . 1 1 3 3 SER HA H 3 4.423 4.423 4.601 -0.178 19808
340 1 8 . 1 1 3 3 SER H H 3 8.441 8.441 8.503 -0.062 19808
341 1 8 . 1 1 4 4 GLY H H 4 8.500 8.500 7.626 0.874 19808
342 1 8 . 1 1 5 5 GLY H H 5 9.345 9.345 8.537 0.808 19808
343 1 8 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.720 -0.091 19808
344 1 8 . 1 1 6 6 ALA H H 6 8.091 8.091 7.740 0.351 19808
345 1 8 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.849 -0.171 19808
346 1 8 . 1 1 7 7 TRP H H 7 8.744 8.744 8.703 0.041 19808
347 1 8 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.862 -0.428 19808
348 1 8 . 1 1 8 8 CYS H H 8 8.998 8.998 8.027 0.971 19808
349 1 8 . 1 1 9 9 GLY H H 9 5.291 5.291 7.779 -2.488 19808
350 1 8 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.393 0.348 19808
351 1 8 . 1 1 10 10 PHE H H 10 7.372 7.372 7.902 -0.530 19808
352 1 8 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.708 0.239 19808
353 1 8 . 1 1 11 11 ASP H H 11 7.401 7.401 6.799 0.602 19808
354 1 8 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.180 0.179 19808
355 1 8 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.655 0.376 19808
356 1 8 . 1 1 13 13 HIS H H 13 8.425 8.425 7.370 1.055 19808
357 1 8 . 1 1 14 14 GLY H H 14 7.982 7.982 7.388 0.594 19808
358 1 8 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.195 0.719 19808
359 1 8 . 1 1 15 15 CYS H H 15 8.581 8.581 8.030 0.551 19808
360 1 8 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.563 0.096 19808
361 1 8 . 1 1 16 16 CYS H H 16 9.591 9.591 8.664 0.927 19808
362 1 8 . 1 1 17 17 GLY H H 17 8.708 8.708 7.785 0.923 19808
363 1 8 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.639 0.279 19808
364 1 8 . 1 1 18 18 ASN H H 18 8.154 8.154 8.415 -0.261 19808
365 1 8 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.714 -0.465 19808
366 1 8 . 1 1 19 19 CYS H H 19 7.826 7.826 7.894 -0.068 19808
367 1 8 . 1 1 20 20 GLY H H 20 8.460 8.460 8.081 0.379 19808
368 1 8 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.790 -0.005 19808
369 1 8 . 1 1 21 21 CYS H H 21 8.660 8.660 8.359 0.301 19808
370 1 8 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.211 0.410 19808
371 1 8 . 1 1 22 22 LEU H H 22 8.922 8.922 8.206 0.716 19808
372 1 8 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.141 -0.489 19808
373 1 8 . 1 1 23 23 VAL H H 23 9.172 9.172 7.600 1.572 19808
374 1 8 . 1 1 24 24 GLY H H 24 7.462 7.462 7.220 0.242 19808
375 1 8 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.081 0.364 19808
376 1 8 . 1 1 25 25 PHE H H 25 7.698 7.698 7.339 0.359 19808
377 1 8 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.429 0.673 19808
378 1 8 . 1 1 26 26 CYS H H 26 8.727 8.727 8.784 -0.057 19808
379 1 8 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.929 -0.013 19808
380 1 8 . 1 1 27 27 TYR H H 27 9.615 9.615 8.851 0.764 19808
381 1 8 . 1 1 28 28 GLY H H 28 8.016 8.016 8.042 -0.026 19808
382 1 8 . 1 1 29 29 THR HA H 29 4.342 4.342 4.403 -0.061 19808
383 1 8 . 1 1 29 29 THR H H 29 8.291 8.291 8.224 0.067 19808
384 1 8 . 1 1 30 30 GLY H H 30 8.670 8.670 7.899 0.771 19808
385 1 9 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.442 0.157 19808
386 1 9 . 1 1 2 2 LYS H H 2 9.033 9.033 8.722 0.311 19808
387 1 9 . 1 1 3 3 SER HA H 3 4.423 4.423 4.571 -0.148 19808
388 1 9 . 1 1 3 3 SER H H 3 8.441 8.441 8.632 -0.191 19808
389 1 9 . 1 1 4 4 GLY H H 4 8.500 8.500 7.413 1.087 19808
390 1 9 . 1 1 5 5 GLY H H 5 9.345 9.345 8.306 1.039 19808
391 1 9 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.586 0.043 19808
392 1 9 . 1 1 6 6 ALA H H 6 8.091 8.091 7.706 0.385 19808
393 1 9 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.845 -0.167 19808
394 1 9 . 1 1 7 7 TRP H H 7 8.744 8.744 8.818 -0.074 19808
395 1 9 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.795 -0.361 19808
396 1 9 . 1 1 8 8 CYS H H 8 8.998 8.998 8.284 0.714 19808
397 1 9 . 1 1 9 9 GLY H H 9 5.291 5.291 7.701 -2.410 19808
398 1 9 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.336 0.405 19808
399 1 9 . 1 1 10 10 PHE H H 10 7.372 7.372 8.195 -0.823 19808
400 1 9 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.859 0.088 19808
401 1 9 . 1 1 11 11 ASP H H 11 7.401 7.401 6.656 0.745 19808
402 1 9 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.232 0.127 19808
403 1 9 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.924 0.107 19808
404 1 9 . 1 1 13 13 HIS H H 13 8.425 8.425 7.587 0.838 19808
405 1 9 . 1 1 14 14 GLY H H 14 7.982 7.982 7.492 0.490 19808
406 1 9 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.733 0.181 19808
407 1 9 . 1 1 15 15 CYS H H 15 8.581 8.581 7.614 0.967 19808
408 1 9 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.314 0.345 19808
409 1 9 . 1 1 16 16 CYS H H 16 9.591 9.591 8.956 0.635 19808
410 1 9 . 1 1 17 17 GLY H H 17 8.708 8.708 7.942 0.766 19808
411 1 9 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.671 0.247 19808
412 1 9 . 1 1 18 18 ASN H H 18 8.154 8.154 8.441 -0.287 19808
413 1 9 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.643 -0.394 19808
414 1 9 . 1 1 19 19 CYS H H 19 7.826 7.826 7.629 0.197 19808
415 1 9 . 1 1 20 20 GLY H H 20 8.460 8.460 8.460 0.000 19808
416 1 9 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.721 0.064 19808
417 1 9 . 1 1 21 21 CYS H H 21 8.660 8.660 8.107 0.553 19808
418 1 9 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.073 0.548 19808
419 1 9 . 1 1 22 22 LEU H H 22 8.922 8.922 7.942 0.980 19808
420 1 9 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.120 -0.468 19808
421 1 9 . 1 1 23 23 VAL H H 23 9.172 9.172 7.739 1.433 19808
422 1 9 . 1 1 24 24 GLY H H 24 7.462 7.462 7.766 -0.304 19808
423 1 9 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.156 0.289 19808
424 1 9 . 1 1 25 25 PHE H H 25 7.698 7.698 7.041 0.657 19808
425 1 9 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.333 0.769 19808
426 1 9 . 1 1 26 26 CYS H H 26 8.727 8.727 8.703 0.024 19808
427 1 9 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.662 0.254 19808
428 1 9 . 1 1 27 27 TYR H H 27 9.615 9.615 8.230 1.385 19808
429 1 9 . 1 1 28 28 GLY H H 28 8.016 8.016 7.724 0.292 19808
430 1 9 . 1 1 29 29 THR HA H 29 4.342 4.342 4.484 -0.142 19808
431 1 9 . 1 1 29 29 THR H H 29 8.291 8.291 8.214 0.077 19808
432 1 9 . 1 1 30 30 GLY H H 30 8.670 8.670 8.234 0.436 19808
433 1 10 . 1 1 2 2 LYS HA H 2 4.599 4.599 4.480 0.119 19808
434 1 10 . 1 1 2 2 LYS H H 2 9.033 9.033 8.453 0.580 19808
435 1 10 . 1 1 3 3 SER HA H 3 4.423 4.423 4.536 -0.113 19808
436 1 10 . 1 1 3 3 SER H H 3 8.441 8.441 8.320 0.121 19808
437 1 10 . 1 1 4 4 GLY H H 4 8.500 8.500 7.442 1.058 19808
438 1 10 . 1 1 5 5 GLY H H 5 9.345 9.345 8.311 1.034 19808
439 1 10 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.691 -0.062 19808
440 1 10 . 1 1 6 6 ALA H H 6 8.091 8.091 7.719 0.372 19808
441 1 10 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.820 -0.142 19808
442 1 10 . 1 1 7 7 TRP H H 7 8.744 8.744 8.742 0.002 19808
443 1 10 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.628 -0.194 19808
444 1 10 . 1 1 8 8 CYS H H 8 8.998 8.998 8.062 0.936 19808
445 1 10 . 1 1 9 9 GLY H H 9 5.291 5.291 7.518 -2.227 19808
446 1 10 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.528 0.213 19808
447 1 10 . 1 1 10 10 PHE H H 10 7.372 7.372 7.960 -0.588 19808
448 1 10 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.956 -0.009 19808
449 1 10 . 1 1 11 11 ASP H H 11 7.401 7.401 6.850 0.551 19808
450 1 10 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.162 0.197 19808
451 1 10 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.852 0.179 19808
452 1 10 . 1 1 13 13 HIS H H 13 8.425 8.425 8.190 0.235 19808
453 1 10 . 1 1 14 14 GLY H H 14 7.982 7.982 7.453 0.529 19808
454 1 10 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.201 0.713 19808
455 1 10 . 1 1 15 15 CYS H H 15 8.581 8.581 8.353 0.228 19808
456 1 10 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.566 0.093 19808
457 1 10 . 1 1 16 16 CYS H H 16 9.591 9.591 8.640 0.951 19808
458 1 10 . 1 1 17 17 GLY H H 17 8.708 8.708 7.817 0.891 19808
459 1 10 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.728 0.190 19808
460 1 10 . 1 1 18 18 ASN H H 18 8.154 8.154 8.547 -0.393 19808
461 1 10 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.643 -0.394 19808
462 1 10 . 1 1 19 19 CYS H H 19 7.826 7.826 7.598 0.228 19808
463 1 10 . 1 1 20 20 GLY H H 20 8.460 8.460 7.958 0.502 19808
464 1 10 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.722 0.063 19808
465 1 10 . 1 1 21 21 CYS H H 21 8.660 8.660 8.545 0.115 19808
466 1 10 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.093 0.528 19808
467 1 10 . 1 1 22 22 LEU H H 22 8.922 8.922 8.253 0.669 19808
468 1 10 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.278 -0.626 19808
469 1 10 . 1 1 23 23 VAL H H 23 9.172 9.172 7.394 1.778 19808
470 1 10 . 1 1 24 24 GLY H H 24 7.462 7.462 7.239 0.223 19808
471 1 10 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.022 0.423 19808
472 1 10 . 1 1 25 25 PHE H H 25 7.698 7.698 6.900 0.798 19808
473 1 10 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.371 0.731 19808
474 1 10 . 1 1 26 26 CYS H H 26 8.727 8.727 8.871 -0.144 19808
475 1 10 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.688 0.228 19808
476 1 10 . 1 1 27 27 TYR H H 27 9.615 9.615 8.714 0.901 19808
477 1 10 . 1 1 28 28 GLY H H 28 8.016 8.016 7.975 0.041 19808
478 1 10 . 1 1 29 29 THR HA H 29 4.342 4.342 4.567 -0.225 19808
479 1 10 . 1 1 29 29 THR H H 29 8.291 8.291 7.875 0.416 19808
480 1 10 . 1 1 30 30 GLY H H 30 8.670 8.670 8.103 0.567 19808
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 19808
2 1 1 "Average Difference" HA 38 0.361 0.002 0.365 19808
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19808
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19808
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19808
6 1 1 "Average Difference" HN 28 0.726 -0.322 0.663 19808
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19808
8 1 2 "Average Difference" HA 38 0.366 0.011 0.371 19808
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19808
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19808
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19808
12 1 2 "Average Difference" HN 28 0.747 -0.312 0.691 19808
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19808
14 1 3 "Average Difference" HA 38 0.372 -0.006 0.377 19808
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19808
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19808
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19808
18 1 3 "Average Difference" HN 28 0.762 -0.336 0.696 19808
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19808
20 1 4 "Average Difference" HA 38 0.364 -0.008 0.369 19808
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19808
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19808
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19808
24 1 4 "Average Difference" HN 28 0.779 -0.339 0.714 19808
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19808
26 1 5 "Average Difference" HA 38 0.404 -0.020 0.409 19808
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19808
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19808
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19808
30 1 5 "Average Difference" HN 28 0.770 -0.344 0.701 19808
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19808
32 1 6 "Average Difference" HA 38 0.369 0.002 0.374 19808
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19808
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19808
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19808
36 1 6 "Average Difference" HN 28 0.778 -0.332 0.716 19808
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19808
38 1 7 "Average Difference" HA 38 0.407 -0.024 0.411 19808
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19808
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19808
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19808
42 1 7 "Average Difference" HN 28 0.787 -0.374 0.705 19808
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19808
44 1 8 "Average Difference" HA 38 0.396 -0.021 0.400 19808
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19808
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19808
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19808
48 1 8 "Average Difference" HN 28 0.796 -0.354 0.726 19808
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19808
50 1 9 "Average Difference" HA 38 0.370 -0.036 0.373 19808
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19808
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19808
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19808
54 1 9 "Average Difference" HN 28 0.827 -0.354 0.761 19808
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19808
56 1 10 "Average Difference" HA 38 0.373 -0.017 0.377 19808
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19808
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19808
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19808
60 1 10 "Average Difference" HN 28 0.787 -0.371 0.707 19808
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 19808
_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 LYS HA H 2 4.599 4.599 4.455 0.144 19808
2 1 . 1 1 2 2 LYS H H 2 9.033 9.033 8.611 0.422 19808
3 1 . 1 1 3 3 SER HA H 3 4.423 4.423 4.522 -0.100 19808
4 1 . 1 1 3 3 SER H H 3 8.441 8.441 8.601 -0.160 19808
5 1 . 1 1 4 4 GLY H H 4 8.500 8.500 7.542 0.958 19808
6 1 . 1 1 5 5 GLY H H 5 9.345 9.345 8.429 0.916 19808
7 1 . 1 1 6 6 ALA HA H 6 4.629 4.629 4.649 -0.020 19808
8 1 . 1 1 6 6 ALA H H 6 8.091 8.091 7.594 0.497 19808
9 1 . 1 1 7 7 TRP HA H 7 4.678 4.678 4.915 -0.237 19808
10 1 . 1 1 7 7 TRP H H 7 8.744 8.744 8.689 0.055 19808
11 1 . 1 1 8 8 CYS HA H 8 4.434 4.434 4.748 -0.314 19808
12 1 . 1 1 8 8 CYS H H 8 8.998 8.998 8.179 0.819 19808
13 1 . 1 1 9 9 GLY H H 9 5.291 5.291 7.604 -2.313 19808
14 1 . 1 1 10 10 PHE HA H 10 4.741 4.741 4.408 0.333 19808
15 1 . 1 1 10 10 PHE H H 10 7.372 7.372 7.942 -0.570 19808
16 1 . 1 1 11 11 ASP HA H 11 4.947 4.947 4.892 0.055 19808
17 1 . 1 1 11 11 ASP H H 11 7.401 7.401 6.918 0.483 19808
18 1 . 1 1 12 12 PRO HA H 12 4.359 4.359 4.221 0.138 19808
19 1 . 1 1 13 13 HIS HA H 13 5.031 5.031 4.818 0.213 19808
20 1 . 1 1 13 13 HIS H H 13 8.425 8.425 7.742 0.683 19808
21 1 . 1 1 14 14 GLY H H 14 7.982 7.982 7.432 0.550 19808
22 1 . 1 1 15 15 CYS HA H 15 4.914 4.914 4.478 0.436 19808
23 1 . 1 1 15 15 CYS H H 15 8.581 8.581 7.942 0.639 19808
24 1 . 1 1 16 16 CYS HA H 16 4.659 4.659 4.423 0.237 19808
25 1 . 1 1 16 16 CYS H H 16 9.591 9.591 8.732 0.859 19808
26 1 . 1 1 17 17 GLY H H 17 8.708 8.708 7.895 0.813 19808
27 1 . 1 1 18 18 ASN HA H 18 4.918 4.918 4.695 0.223 19808
28 1 . 1 1 18 18 ASN H H 18 8.154 8.154 8.488 -0.334 19808
29 1 . 1 1 19 19 CYS HA H 19 4.249 4.249 4.655 -0.406 19808
30 1 . 1 1 19 19 CYS H H 19 7.826 7.826 7.669 0.157 19808
31 1 . 1 1 20 20 GLY H H 20 8.460 8.460 8.182 0.278 19808
32 1 . 1 1 21 21 CYS HA H 21 4.785 4.785 4.786 -0.001 19808
33 1 . 1 1 21 21 CYS H H 21 8.660 8.660 8.369 0.291 19808
34 1 . 1 1 22 22 LEU HA H 22 4.621 4.621 4.150 0.471 19808
35 1 . 1 1 22 22 LEU H H 22 8.922 8.922 8.147 0.776 19808
36 1 . 1 1 23 23 VAL HA H 23 3.652 3.652 4.175 -0.523 19808
37 1 . 1 1 23 23 VAL H H 23 9.172 9.172 7.598 1.574 19808
38 1 . 1 1 24 24 GLY H H 24 7.462 7.462 7.318 0.144 19808
39 1 . 1 1 25 25 PHE HA H 25 5.445 5.445 5.222 0.223 19808
40 1 . 1 1 25 25 PHE H H 25 7.698 7.698 7.087 0.611 19808
41 1 . 1 1 26 26 CYS HA H 26 5.102 5.102 4.371 0.731 19808
42 1 . 1 1 26 26 CYS H H 26 8.727 8.727 8.824 -0.097 19808
43 1 . 1 1 27 27 TYR HA H 27 4.916 4.916 4.842 0.074 19808
44 1 . 1 1 27 27 TYR H H 27 9.615 9.615 8.841 0.774 19808
45 1 . 1 1 28 28 GLY H H 28 8.016 8.016 8.029 -0.013 19808
46 1 . 1 1 29 29 THR HA H 29 4.342 4.342 4.489 -0.147 19808
47 1 . 1 1 29 29 THR H H 29 8.291 8.291 8.078 0.213 19808
48 1 . 1 1 30 30 GLY H H 30 8.670 8.670 8.065 0.605 19808
stop_
save_