data_17797
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17797
_Entry.PDB_ID 2LG5
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 17797
_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 PHE HA H 2 4.670 4.670 4.463 0.207 17797
2 1 1 . 1 1 2 2 PHE H H 2 8.751 8.751 8.786 -0.035 17797
3 1 1 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.086 0.280 17797
4 1 1 . 1 1 3 3 CYS H H 3 8.885 8.885 8.942 -0.057 17797
5 1 1 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.831 0.209 17797
6 1 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.173 0.105 17797
7 1 1 . 1 1 5 5 GLY H H 5 9.033 9.033 8.496 0.537 17797
8 1 1 . 1 1 6 6 GLY H H 6 7.745 7.745 8.023 -0.278 17797
9 1 1 . 1 1 7 7 SER HA H 7 4.793 4.793 4.365 0.428 17797
10 1 1 . 1 1 7 7 SER H H 7 8.748 8.748 8.165 0.583 17797
11 1 1 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.272 1.382 17797
12 1 1 . 1 1 8 8 CYS H H 8 8.799 8.799 8.893 -0.094 17797
13 1 1 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.560 0.198 17797
14 1 1 . 1 1 9 9 HIS H H 9 9.427 9.427 8.293 1.134 17797
15 1 1 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.223 0.327 17797
16 1 1 . 1 1 10 10 PHE H H 10 9.255 9.255 8.659 0.596 17797
17 1 1 . 1 1 11 11 GLY H H 11 8.642 8.642 8.161 0.481 17797
18 1 1 . 1 1 12 12 GLY H H 12 7.976 7.976 7.445 0.531 17797
19 1 1 . 1 1 13 13 CYS HA H 13 4.769 4.769 5.009 -0.240 17797
20 1 1 . 1 1 13 13 CYS H H 13 8.487 8.487 8.422 0.065 17797
21 1 1 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.271 0.109 17797
22 1 1 . 1 1 15 15 SER HA H 15 3.934 3.934 4.386 -0.452 17797
23 1 1 . 1 1 15 15 SER H H 15 8.294 8.294 7.751 0.543 17797
24 1 1 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.025 0.284 17797
25 1 1 . 1 1 16 16 HIS H H 16 8.331 8.331 7.861 0.470 17797
26 1 1 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.980 0.449 17797
27 1 1 . 1 1 17 17 LEU H H 17 7.606 7.606 7.958 -0.352 17797
28 1 1 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.095 0.252 17797
29 1 1 . 1 1 18 18 ILE H H 18 8.946 8.946 7.932 1.014 17797
30 1 1 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.153 0.645 17797
31 1 1 . 1 1 19 19 LYS H H 19 8.568 8.568 8.702 -0.134 17797
32 1 1 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.099 0.329 17797
33 1 1 . 1 1 20 20 VAL H H 20 8.803 8.803 8.394 0.409 17797
34 1 1 . 1 1 21 21 GLY H H 21 7.805 7.805 7.975 -0.170 17797
35 1 1 . 1 1 22 22 SER HA H 22 5.031 5.031 4.858 0.173 17797
36 1 1 . 1 1 22 22 SER H H 22 8.728 8.728 8.121 0.607 17797
37 1 1 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.687 0.062 17797
38 1 1 . 1 1 23 23 CYS H H 23 8.094 8.094 8.819 -0.725 17797
39 1 1 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.738 -0.577 17797
40 1 1 . 1 1 24 24 PHE H H 24 7.759 7.759 7.574 0.185 17797
41 1 1 . 1 1 25 25 GLY H H 25 8.254 8.254 7.729 0.525 17797
42 1 1 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.689 -0.316 17797
43 1 1 . 1 1 26 26 PHE H H 26 8.271 8.271 7.913 0.358 17797
44 1 1 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.834 -0.260 17797
45 1 1 . 1 1 27 27 ARG H H 27 7.063 7.063 8.388 -1.325 17797
46 1 1 . 1 1 28 28 SER HA H 28 4.596 4.596 4.333 0.263 17797
47 1 1 . 1 1 28 28 SER H H 28 9.136 9.136 8.415 0.721 17797
48 1 1 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.463 0.383 17797
49 1 1 . 1 1 29 29 CYS H H 29 8.592 8.592 8.654 -0.062 17797
50 1 1 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.349 0.165 17797
51 1 1 . 1 1 30 30 CYS H H 30 8.991 8.991 9.262 -0.271 17797
52 1 1 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.710 0.036 17797
53 1 1 . 1 1 31 31 LYS H H 31 9.313 9.313 8.734 0.579 17797
54 1 1 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.141 0.418 17797
55 1 1 . 1 1 32 32 TRP H H 32 8.387 8.387 8.557 -0.170 17797
56 1 1 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.025 0.129 17797
57 1 1 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.414 0.349 17797
58 1 1 . 1 1 34 34 TRP H H 34 6.993 6.993 7.169 -0.176 17797
59 1 1 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.642 0.211 17797
60 1 1 . 1 1 35 35 ASN H H 35 7.914 7.914 7.990 -0.076 17797
61 1 2 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.732 -0.062 17797
62 1 2 . 1 1 2 2 PHE H H 2 8.751 8.751 9.250 -0.499 17797
63 1 2 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.000 0.366 17797
64 1 2 . 1 1 3 3 CYS H H 3 8.885 8.885 9.026 -0.141 17797
65 1 2 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.124 -0.084 17797
66 1 2 . 1 1 4 4 LYS H H 4 8.278 8.278 7.887 0.391 17797
67 1 2 . 1 1 5 5 GLY H H 5 9.033 9.033 8.749 0.284 17797
68 1 2 . 1 1 6 6 GLY H H 6 7.745 7.745 7.669 0.076 17797
69 1 2 . 1 1 7 7 SER HA H 7 4.793 4.793 4.855 -0.062 17797
70 1 2 . 1 1 7 7 SER H H 7 8.748 8.748 7.922 0.826 17797
71 1 2 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.553 1.101 17797
72 1 2 . 1 1 8 8 CYS H H 8 8.799 8.799 8.893 -0.094 17797
73 1 2 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.818 -0.060 17797
74 1 2 . 1 1 9 9 HIS H H 9 9.427 9.427 9.065 0.362 17797
75 1 2 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.284 0.266 17797
76 1 2 . 1 1 10 10 PHE H H 10 9.255 9.255 8.950 0.305 17797
77 1 2 . 1 1 11 11 GLY H H 11 8.642 8.642 8.833 -0.191 17797
78 1 2 . 1 1 12 12 GLY H H 12 7.976 7.976 8.060 -0.084 17797
79 1 2 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.513 0.256 17797
80 1 2 . 1 1 13 13 CYS H H 13 8.487 8.487 8.162 0.325 17797
81 1 2 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.145 0.235 17797
82 1 2 . 1 1 15 15 SER HA H 15 3.934 3.934 4.335 -0.401 17797
83 1 2 . 1 1 15 15 SER H H 15 8.294 8.294 7.532 0.762 17797
84 1 2 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.072 0.237 17797
85 1 2 . 1 1 16 16 HIS H H 16 8.331 8.331 7.749 0.582 17797
86 1 2 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.986 0.443 17797
87 1 2 . 1 1 17 17 LEU H H 17 7.606 7.606 8.559 -0.953 17797
88 1 2 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.471 -0.124 17797
89 1 2 . 1 1 18 18 ILE H H 18 8.946 8.946 8.136 0.810 17797
90 1 2 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.520 0.278 17797
91 1 2 . 1 1 19 19 LYS H H 19 8.568 8.568 8.768 -0.200 17797
92 1 2 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.153 0.275 17797
93 1 2 . 1 1 20 20 VAL H H 20 8.803 8.803 8.700 0.103 17797
94 1 2 . 1 1 21 21 GLY H H 21 7.805 7.805 8.156 -0.351 17797
95 1 2 . 1 1 22 22 SER HA H 22 5.031 5.031 5.056 -0.025 17797
96 1 2 . 1 1 22 22 SER H H 22 8.728 8.728 8.196 0.532 17797
97 1 2 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.665 0.084 17797
98 1 2 . 1 1 23 23 CYS H H 23 8.094 8.094 8.841 -0.747 17797
99 1 2 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.404 -0.243 17797
100 1 2 . 1 1 24 24 PHE H H 24 7.759 7.759 8.655 -0.896 17797
101 1 2 . 1 1 25 25 GLY H H 25 8.254 8.254 8.240 0.014 17797
102 1 2 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.419 -0.046 17797
103 1 2 . 1 1 26 26 PHE H H 26 8.271 8.271 8.523 -0.252 17797
104 1 2 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.014 0.560 17797
105 1 2 . 1 1 27 27 ARG H H 27 7.063 7.063 7.432 -0.369 17797
106 1 2 . 1 1 28 28 SER HA H 28 4.596 4.596 4.333 0.263 17797
107 1 2 . 1 1 28 28 SER H H 28 9.136 9.136 8.278 0.858 17797
108 1 2 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.415 0.431 17797
109 1 2 . 1 1 29 29 CYS H H 29 8.592 8.592 8.557 0.035 17797
110 1 2 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.579 -0.065 17797
111 1 2 . 1 1 30 30 CYS H H 30 8.991 8.991 8.986 0.005 17797
112 1 2 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.615 0.131 17797
113 1 2 . 1 1 31 31 LYS H H 31 9.313 9.313 8.085 1.228 17797
114 1 2 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.584 -0.025 17797
115 1 2 . 1 1 32 32 TRP H H 32 8.387 8.387 8.579 -0.192 17797
116 1 2 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.483 -0.329 17797
117 1 2 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.624 0.139 17797
118 1 2 . 1 1 34 34 TRP H H 34 6.993 6.993 7.970 -0.977 17797
119 1 2 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.718 0.135 17797
120 1 2 . 1 1 35 35 ASN H H 35 7.914 7.914 8.015 -0.101 17797
121 1 3 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.403 0.267 17797
122 1 3 . 1 1 2 2 PHE H H 2 8.751 8.751 8.858 -0.107 17797
123 1 3 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.268 0.098 17797
124 1 3 . 1 1 3 3 CYS H H 3 8.885 8.885 8.660 0.225 17797
125 1 3 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.835 0.205 17797
126 1 3 . 1 1 4 4 LYS H H 4 8.278 8.278 8.983 -0.705 17797
127 1 3 . 1 1 5 5 GLY H H 5 9.033 9.033 8.278 0.755 17797
128 1 3 . 1 1 6 6 GLY H H 6 7.745 7.745 7.744 0.001 17797
129 1 3 . 1 1 7 7 SER HA H 7 4.793 4.793 4.491 0.302 17797
130 1 3 . 1 1 7 7 SER H H 7 8.748 8.748 8.600 0.148 17797
131 1 3 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.393 1.261 17797
132 1 3 . 1 1 8 8 CYS H H 8 8.799 8.799 8.859 -0.060 17797
133 1 3 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.371 0.387 17797
134 1 3 . 1 1 9 9 HIS H H 9 9.427 9.427 8.394 1.033 17797
135 1 3 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.359 0.191 17797
136 1 3 . 1 1 10 10 PHE H H 10 9.255 9.255 8.321 0.934 17797
137 1 3 . 1 1 11 11 GLY H H 11 8.642 8.642 8.353 0.289 17797
138 1 3 . 1 1 12 12 GLY H H 12 7.976 7.976 7.570 0.406 17797
139 1 3 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.745 0.024 17797
140 1 3 . 1 1 13 13 CYS H H 13 8.487 8.487 8.198 0.289 17797
141 1 3 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.182 0.198 17797
142 1 3 . 1 1 15 15 SER HA H 15 3.934 3.934 4.244 -0.310 17797
143 1 3 . 1 1 15 15 SER H H 15 8.294 8.294 7.237 1.057 17797
144 1 3 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.120 0.189 17797
145 1 3 . 1 1 16 16 HIS H H 16 8.331 8.331 7.701 0.630 17797
146 1 3 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.063 0.366 17797
147 1 3 . 1 1 17 17 LEU H H 17 7.606 7.606 7.885 -0.279 17797
148 1 3 . 1 1 18 18 ILE HA H 18 4.347 4.347 3.915 0.432 17797
149 1 3 . 1 1 18 18 ILE H H 18 8.946 8.946 7.764 1.182 17797
150 1 3 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.257 0.541 17797
151 1 3 . 1 1 19 19 LYS H H 19 8.568 8.568 8.422 0.146 17797
152 1 3 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.591 -0.163 17797
153 1 3 . 1 1 20 20 VAL H H 20 8.803 8.803 8.734 0.069 17797
154 1 3 . 1 1 21 21 GLY H H 21 7.805 7.805 7.597 0.208 17797
155 1 3 . 1 1 22 22 SER HA H 22 5.031 5.031 4.759 0.272 17797
156 1 3 . 1 1 22 22 SER H H 22 8.728 8.728 8.020 0.708 17797
157 1 3 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.889 -0.140 17797
158 1 3 . 1 1 23 23 CYS H H 23 8.094 8.094 8.636 -0.542 17797
159 1 3 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.264 -0.103 17797
160 1 3 . 1 1 24 24 PHE H H 24 7.759 7.759 8.674 -0.915 17797
161 1 3 . 1 1 25 25 GLY H H 25 8.254 8.254 8.335 -0.081 17797
162 1 3 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.996 0.377 17797
163 1 3 . 1 1 26 26 PHE H H 26 8.271 8.271 8.116 0.155 17797
164 1 3 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.533 0.041 17797
165 1 3 . 1 1 27 27 ARG H H 27 7.063 7.063 8.158 -1.095 17797
166 1 3 . 1 1 28 28 SER HA H 28 4.596 4.596 4.154 0.442 17797
167 1 3 . 1 1 28 28 SER H H 28 9.136 9.136 7.941 1.195 17797
168 1 3 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.530 0.316 17797
169 1 3 . 1 1 29 29 CYS H H 29 8.592 8.592 8.432 0.160 17797
170 1 3 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.474 0.040 17797
171 1 3 . 1 1 30 30 CYS H H 30 8.991 8.991 9.154 -0.163 17797
172 1 3 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.856 -0.110 17797
173 1 3 . 1 1 31 31 LYS H H 31 9.313 9.313 8.824 0.489 17797
174 1 3 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.702 -0.143 17797
175 1 3 . 1 1 32 32 TRP H H 32 8.387 8.387 8.861 -0.474 17797
176 1 3 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.113 0.041 17797
177 1 3 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.636 0.127 17797
178 1 3 . 1 1 34 34 TRP H H 34 6.993 6.993 8.119 -1.126 17797
179 1 3 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.573 0.280 17797
180 1 3 . 1 1 35 35 ASN H H 35 7.914 7.914 8.342 -0.428 17797
181 1 4 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.896 -0.226 17797
182 1 4 . 1 1 2 2 PHE H H 2 8.751 8.751 8.420 0.331 17797
183 1 4 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.042 0.324 17797
184 1 4 . 1 1 3 3 CYS H H 3 8.885 8.885 8.362 0.523 17797
185 1 4 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.092 -0.052 17797
186 1 4 . 1 1 4 4 LYS H H 4 8.278 8.278 8.714 -0.436 17797
187 1 4 . 1 1 5 5 GLY H H 5 9.033 9.033 8.394 0.639 17797
188 1 4 . 1 1 6 6 GLY H H 6 7.745 7.745 7.506 0.239 17797
189 1 4 . 1 1 7 7 SER HA H 7 4.793 4.793 5.145 -0.352 17797
190 1 4 . 1 1 7 7 SER H H 7 8.748 8.748 8.412 0.336 17797
191 1 4 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.273 1.381 17797
192 1 4 . 1 1 8 8 CYS H H 8 8.799 8.799 9.226 -0.427 17797
193 1 4 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.557 0.201 17797
194 1 4 . 1 1 9 9 HIS H H 9 9.427 9.427 8.316 1.111 17797
195 1 4 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.399 0.151 17797
196 1 4 . 1 1 10 10 PHE H H 10 9.255 9.255 8.564 0.691 17797
197 1 4 . 1 1 11 11 GLY H H 11 8.642 8.642 8.427 0.215 17797
198 1 4 . 1 1 12 12 GLY H H 12 7.976 7.976 7.611 0.365 17797
199 1 4 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.813 -0.044 17797
200 1 4 . 1 1 13 13 CYS H H 13 8.487 8.487 8.234 0.253 17797
201 1 4 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.244 0.136 17797
202 1 4 . 1 1 15 15 SER HA H 15 3.934 3.934 4.401 -0.467 17797
203 1 4 . 1 1 15 15 SER H H 15 8.294 8.294 7.360 0.934 17797
204 1 4 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.525 -0.216 17797
205 1 4 . 1 1 16 16 HIS H H 16 8.331 8.331 8.551 -0.220 17797
206 1 4 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.841 0.588 17797
207 1 4 . 1 1 17 17 LEU H H 17 7.606 7.606 7.497 0.109 17797
208 1 4 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.075 0.272 17797
209 1 4 . 1 1 18 18 ILE H H 18 8.946 8.946 8.208 0.738 17797
210 1 4 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.379 0.419 17797
211 1 4 . 1 1 19 19 LYS H H 19 8.568 8.568 8.357 0.211 17797
212 1 4 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.472 -0.044 17797
213 1 4 . 1 1 20 20 VAL H H 20 8.803 8.803 8.878 -0.075 17797
214 1 4 . 1 1 21 21 GLY H H 21 7.805 7.805 7.353 0.452 17797
215 1 4 . 1 1 22 22 SER HA H 22 5.031 5.031 4.738 0.293 17797
216 1 4 . 1 1 22 22 SER H H 22 8.728 8.728 8.306 0.422 17797
217 1 4 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.748 0.001 17797
218 1 4 . 1 1 23 23 CYS H H 23 8.094 8.094 8.233 -0.139 17797
219 1 4 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.409 -0.248 17797
220 1 4 . 1 1 24 24 PHE H H 24 7.759 7.759 8.461 -0.702 17797
221 1 4 . 1 1 25 25 GLY H H 25 8.254 8.254 8.240 0.014 17797
222 1 4 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.709 -0.336 17797
223 1 4 . 1 1 26 26 PHE H H 26 8.271 8.271 8.355 -0.084 17797
224 1 4 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.538 0.036 17797
225 1 4 . 1 1 27 27 ARG H H 27 7.063 7.063 8.020 -0.957 17797
226 1 4 . 1 1 28 28 SER HA H 28 4.596 4.596 4.143 0.453 17797
227 1 4 . 1 1 28 28 SER H H 28 9.136 9.136 8.358 0.778 17797
228 1 4 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.326 0.520 17797
229 1 4 . 1 1 29 29 CYS H H 29 8.592 8.592 8.377 0.215 17797
230 1 4 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.044 0.470 17797
231 1 4 . 1 1 30 30 CYS H H 30 8.991 8.991 9.073 -0.082 17797
232 1 4 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.653 0.093 17797
233 1 4 . 1 1 31 31 LYS H H 31 9.313 9.313 8.607 0.706 17797
234 1 4 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.456 0.103 17797
235 1 4 . 1 1 32 32 TRP H H 32 8.387 8.387 8.844 -0.457 17797
236 1 4 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.142 0.012 17797
237 1 4 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.875 -0.112 17797
238 1 4 . 1 1 34 34 TRP H H 34 6.993 6.993 7.917 -0.924 17797
239 1 4 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.893 -0.040 17797
240 1 4 . 1 1 35 35 ASN H H 35 7.914 7.914 8.071 -0.157 17797
241 1 5 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.726 -0.056 17797
242 1 5 . 1 1 2 2 PHE H H 2 8.751 8.751 9.020 -0.269 17797
243 1 5 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.215 0.151 17797
244 1 5 . 1 1 3 3 CYS H H 3 8.885 8.885 8.492 0.393 17797
245 1 5 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.083 -0.043 17797
246 1 5 . 1 1 4 4 LYS H H 4 8.278 8.278 8.236 0.042 17797
247 1 5 . 1 1 5 5 GLY H H 5 9.033 9.033 8.462 0.571 17797
248 1 5 . 1 1 6 6 GLY H H 6 7.745 7.745 7.251 0.494 17797
249 1 5 . 1 1 7 7 SER HA H 7 4.793 4.793 5.033 -0.240 17797
250 1 5 . 1 1 7 7 SER H H 7 8.748 8.748 8.533 0.215 17797
251 1 5 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.261 1.393 17797
252 1 5 . 1 1 8 8 CYS H H 8 8.799 8.799 9.099 -0.300 17797
253 1 5 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.532 0.226 17797
254 1 5 . 1 1 9 9 HIS H H 9 9.427 9.427 8.658 0.769 17797
255 1 5 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.644 -0.094 17797
256 1 5 . 1 1 10 10 PHE H H 10 9.255 9.255 7.678 1.577 17797
257 1 5 . 1 1 11 11 GLY H H 11 8.642 8.642 8.164 0.478 17797
258 1 5 . 1 1 12 12 GLY H H 12 7.976 7.976 7.798 0.178 17797
259 1 5 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.456 0.313 17797
260 1 5 . 1 1 13 13 CYS H H 13 8.487 8.487 8.357 0.130 17797
261 1 5 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.256 0.124 17797
262 1 5 . 1 1 15 15 SER HA H 15 3.934 3.934 4.080 -0.146 17797
263 1 5 . 1 1 15 15 SER H H 15 8.294 8.294 8.515 -0.221 17797
264 1 5 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.564 -0.255 17797
265 1 5 . 1 1 16 16 HIS H H 16 8.331 8.331 8.135 0.196 17797
266 1 5 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.865 0.564 17797
267 1 5 . 1 1 17 17 LEU H H 17 7.606 7.606 7.459 0.147 17797
268 1 5 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.007 0.340 17797
269 1 5 . 1 1 18 18 ILE H H 18 8.946 8.946 8.647 0.299 17797
270 1 5 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.100 0.698 17797
271 1 5 . 1 1 19 19 LYS H H 19 8.568 8.568 8.590 -0.022 17797
272 1 5 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.929 0.499 17797
273 1 5 . 1 1 20 20 VAL H H 20 8.803 8.803 9.083 -0.280 17797
274 1 5 . 1 1 21 21 GLY H H 21 7.805 7.805 7.442 0.363 17797
275 1 5 . 1 1 22 22 SER HA H 22 5.031 5.031 4.827 0.204 17797
276 1 5 . 1 1 22 22 SER H H 22 8.728 8.728 8.324 0.404 17797
277 1 5 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.467 0.282 17797
278 1 5 . 1 1 23 23 CYS H H 23 8.094 8.094 8.215 -0.121 17797
279 1 5 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.587 -0.426 17797
280 1 5 . 1 1 24 24 PHE H H 24 7.759 7.759 7.758 0.001 17797
281 1 5 . 1 1 25 25 GLY H H 25 8.254 8.254 8.358 -0.104 17797
282 1 5 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.947 0.426 17797
283 1 5 . 1 1 26 26 PHE H H 26 8.271 8.271 8.126 0.145 17797
284 1 5 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.526 0.048 17797
285 1 5 . 1 1 27 27 ARG H H 27 7.063 7.063 7.326 -0.263 17797
286 1 5 . 1 1 28 28 SER HA H 28 4.596 4.596 4.672 -0.076 17797
287 1 5 . 1 1 28 28 SER H H 28 9.136 9.136 8.571 0.565 17797
288 1 5 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.577 0.269 17797
289 1 5 . 1 1 29 29 CYS H H 29 8.592 8.592 8.380 0.212 17797
290 1 5 . 1 1 30 30 CYS HA H 30 5.514 5.514 4.904 0.610 17797
291 1 5 . 1 1 30 30 CYS H H 30 8.991 8.991 9.177 -0.186 17797
292 1 5 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.587 0.159 17797
293 1 5 . 1 1 31 31 LYS H H 31 9.313 9.313 8.557 0.756 17797
294 1 5 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.468 0.091 17797
295 1 5 . 1 1 32 32 TRP H H 32 8.387 8.387 8.902 -0.515 17797
296 1 5 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.051 0.103 17797
297 1 5 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.839 -0.076 17797
298 1 5 . 1 1 34 34 TRP H H 34 6.993 6.993 7.902 -0.909 17797
299 1 5 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.684 0.169 17797
300 1 5 . 1 1 35 35 ASN H H 35 7.914 7.914 8.002 -0.088 17797
301 1 6 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.409 0.261 17797
302 1 6 . 1 1 2 2 PHE H H 2 8.751 8.751 8.802 -0.051 17797
303 1 6 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.210 0.156 17797
304 1 6 . 1 1 3 3 CYS H H 3 8.885 8.885 9.116 -0.231 17797
305 1 6 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.943 0.097 17797
306 1 6 . 1 1 4 4 LYS H H 4 8.278 8.278 8.519 -0.241 17797
307 1 6 . 1 1 5 5 GLY H H 5 9.033 9.033 7.828 1.205 17797
308 1 6 . 1 1 6 6 GLY H H 6 7.745 7.745 7.333 0.412 17797
309 1 6 . 1 1 7 7 SER HA H 7 4.793 4.793 4.304 0.489 17797
310 1 6 . 1 1 7 7 SER H H 7 8.748 8.748 8.476 0.272 17797
311 1 6 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.353 1.301 17797
312 1 6 . 1 1 8 8 CYS H H 8 8.799 8.799 8.451 0.348 17797
313 1 6 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.306 0.452 17797
314 1 6 . 1 1 9 9 HIS H H 9 9.427 9.427 8.783 0.644 17797
315 1 6 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.340 0.210 17797
316 1 6 . 1 1 10 10 PHE H H 10 9.255 9.255 8.534 0.721 17797
317 1 6 . 1 1 11 11 GLY H H 11 8.642 8.642 8.041 0.601 17797
318 1 6 . 1 1 12 12 GLY H H 12 7.976 7.976 8.143 -0.167 17797
319 1 6 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.420 0.349 17797
320 1 6 . 1 1 13 13 CYS H H 13 8.487 8.487 7.971 0.516 17797
321 1 6 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.280 0.100 17797
322 1 6 . 1 1 15 15 SER HA H 15 3.934 3.934 4.077 -0.143 17797
323 1 6 . 1 1 15 15 SER H H 15 8.294 8.294 8.643 -0.350 17797
324 1 6 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.791 -0.482 17797
325 1 6 . 1 1 16 16 HIS H H 16 8.331 8.331 7.661 0.670 17797
326 1 6 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.806 0.623 17797
327 1 6 . 1 1 17 17 LEU H H 17 7.606 7.606 7.099 0.507 17797
328 1 6 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.047 0.300 17797
329 1 6 . 1 1 18 18 ILE H H 18 8.946 8.946 7.884 1.062 17797
330 1 6 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.315 0.483 17797
331 1 6 . 1 1 19 19 LYS H H 19 8.568 8.568 8.731 -0.163 17797
332 1 6 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.072 0.356 17797
333 1 6 . 1 1 20 20 VAL H H 20 8.803 8.803 8.321 0.482 17797
334 1 6 . 1 1 21 21 GLY H H 21 7.805 7.805 8.129 -0.324 17797
335 1 6 . 1 1 22 22 SER HA H 22 5.031 5.031 4.918 0.113 17797
336 1 6 . 1 1 22 22 SER H H 22 8.728 8.728 8.172 0.556 17797
337 1 6 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.320 0.429 17797
338 1 6 . 1 1 23 23 CYS H H 23 8.094 8.094 9.003 -0.909 17797
339 1 6 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.585 -0.424 17797
340 1 6 . 1 1 24 24 PHE H H 24 7.759 7.759 7.880 -0.121 17797
341 1 6 . 1 1 25 25 GLY H H 25 8.254 8.254 7.386 0.868 17797
342 1 6 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.053 0.320 17797
343 1 6 . 1 1 26 26 PHE H H 26 8.271 8.271 8.458 -0.187 17797
344 1 6 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.145 0.429 17797
345 1 6 . 1 1 27 27 ARG H H 27 7.063 7.063 8.384 -1.321 17797
346 1 6 . 1 1 28 28 SER HA H 28 4.596 4.596 4.497 0.099 17797
347 1 6 . 1 1 28 28 SER H H 28 9.136 9.136 8.262 0.874 17797
348 1 6 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.428 0.418 17797
349 1 6 . 1 1 29 29 CYS H H 29 8.592 8.592 8.532 0.060 17797
350 1 6 . 1 1 30 30 CYS HA H 30 5.514 5.514 4.638 0.876 17797
351 1 6 . 1 1 30 30 CYS H H 30 8.991 8.991 8.912 0.079 17797
352 1 6 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.568 0.178 17797
353 1 6 . 1 1 31 31 LYS H H 31 9.313 9.313 7.724 1.589 17797
354 1 6 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.510 0.049 17797
355 1 6 . 1 1 32 32 TRP H H 32 8.387 8.387 8.805 -0.418 17797
356 1 6 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.023 0.131 17797
357 1 6 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.916 -0.153 17797
358 1 6 . 1 1 34 34 TRP H H 34 6.993 6.993 7.182 -0.189 17797
359 1 6 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.698 0.155 17797
360 1 6 . 1 1 35 35 ASN H H 35 7.914 7.914 8.105 -0.192 17797
361 1 7 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.758 -0.088 17797
362 1 7 . 1 1 2 2 PHE H H 2 8.751 8.751 7.968 0.783 17797
363 1 7 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.179 0.187 17797
364 1 7 . 1 1 3 3 CYS H H 3 8.885 8.885 7.788 1.097 17797
365 1 7 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.902 0.138 17797
366 1 7 . 1 1 4 4 LYS H H 4 8.278 8.278 8.450 -0.172 17797
367 1 7 . 1 1 5 5 GLY H H 5 9.033 9.033 8.248 0.785 17797
368 1 7 . 1 1 6 6 GLY H H 6 7.745 7.745 7.829 -0.084 17797
369 1 7 . 1 1 7 7 SER HA H 7 4.793 4.793 4.573 0.220 17797
370 1 7 . 1 1 7 7 SER H H 7 8.748 8.748 8.489 0.259 17797
371 1 7 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.568 1.086 17797
372 1 7 . 1 1 8 8 CYS H H 8 8.799 8.799 8.815 -0.016 17797
373 1 7 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.341 0.417 17797
374 1 7 . 1 1 9 9 HIS H H 9 9.427 9.427 8.785 0.642 17797
375 1 7 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.652 -0.102 17797
376 1 7 . 1 1 10 10 PHE H H 10 9.255 9.255 8.697 0.558 17797
377 1 7 . 1 1 11 11 GLY H H 11 8.642 8.642 8.328 0.314 17797
378 1 7 . 1 1 12 12 GLY H H 12 7.976 7.976 8.079 -0.103 17797
379 1 7 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.552 0.217 17797
380 1 7 . 1 1 13 13 CYS H H 13 8.487 8.487 7.983 0.504 17797
381 1 7 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.075 0.305 17797
382 1 7 . 1 1 15 15 SER HA H 15 3.934 3.934 4.328 -0.394 17797
383 1 7 . 1 1 15 15 SER H H 15 8.294 8.294 7.218 1.076 17797
384 1 7 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.478 -0.169 17797
385 1 7 . 1 1 16 16 HIS H H 16 8.331 8.331 8.153 0.178 17797
386 1 7 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.845 0.584 17797
387 1 7 . 1 1 17 17 LEU H H 17 7.606 7.606 7.433 0.173 17797
388 1 7 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.066 0.281 17797
389 1 7 . 1 1 18 18 ILE H H 18 8.946 8.946 8.335 0.611 17797
390 1 7 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.490 0.308 17797
391 1 7 . 1 1 19 19 LYS H H 19 8.568 8.568 8.386 0.182 17797
392 1 7 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.780 0.648 17797
393 1 7 . 1 1 20 20 VAL H H 20 8.803 8.803 8.663 0.140 17797
394 1 7 . 1 1 21 21 GLY H H 21 7.805 7.805 7.358 0.447 17797
395 1 7 . 1 1 22 22 SER HA H 22 5.031 5.031 4.847 0.184 17797
396 1 7 . 1 1 22 22 SER H H 22 8.728 8.728 7.832 0.896 17797
397 1 7 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.741 0.008 17797
398 1 7 . 1 1 23 23 CYS H H 23 8.094 8.094 8.749 -0.655 17797
399 1 7 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.361 -0.200 17797
400 1 7 . 1 1 24 24 PHE H H 24 7.759 7.759 8.913 -1.154 17797
401 1 7 . 1 1 25 25 GLY H H 25 8.254 8.254 8.588 -0.334 17797
402 1 7 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.938 0.435 17797
403 1 7 . 1 1 26 26 PHE H H 26 8.271 8.271 8.245 0.026 17797
404 1 7 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.352 0.222 17797
405 1 7 . 1 1 27 27 ARG H H 27 7.063 7.063 7.668 -0.605 17797
406 1 7 . 1 1 28 28 SER HA H 28 4.596 4.596 4.034 0.562 17797
407 1 7 . 1 1 28 28 SER H H 28 9.136 9.136 7.910 1.226 17797
408 1 7 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.204 0.642 17797
409 1 7 . 1 1 29 29 CYS H H 29 8.592 8.592 8.483 0.109 17797
410 1 7 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.037 0.477 17797
411 1 7 . 1 1 30 30 CYS H H 30 8.991 8.991 8.840 0.151 17797
412 1 7 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.653 0.093 17797
413 1 7 . 1 1 31 31 LYS H H 31 9.313 9.313 8.051 1.262 17797
414 1 7 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.437 0.122 17797
415 1 7 . 1 1 32 32 TRP H H 32 8.387 8.387 8.624 -0.237 17797
416 1 7 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.302 -0.148 17797
417 1 7 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.844 -0.081 17797
418 1 7 . 1 1 34 34 TRP H H 34 6.993 6.993 7.941 -0.948 17797
419 1 7 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.848 0.005 17797
420 1 7 . 1 1 35 35 ASN H H 35 7.914 7.914 8.436 -0.522 17797
421 1 8 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.292 0.378 17797
422 1 8 . 1 1 2 2 PHE H H 2 8.751 8.751 8.638 0.113 17797
423 1 8 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.595 -0.229 17797
424 1 8 . 1 1 3 3 CYS H H 3 8.885 8.885 8.036 0.849 17797
425 1 8 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.043 -0.003 17797
426 1 8 . 1 1 4 4 LYS H H 4 8.278 8.278 8.864 -0.586 17797
427 1 8 . 1 1 5 5 GLY H H 5 9.033 9.033 8.579 0.454 17797
428 1 8 . 1 1 6 6 GLY H H 6 7.745 7.745 7.466 0.279 17797
429 1 8 . 1 1 7 7 SER HA H 7 4.793 4.793 4.357 0.436 17797
430 1 8 . 1 1 7 7 SER H H 7 8.748 8.748 8.218 0.530 17797
431 1 8 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.255 1.399 17797
432 1 8 . 1 1 8 8 CYS H H 8 8.799 8.799 8.957 -0.158 17797
433 1 8 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.335 0.423 17797
434 1 8 . 1 1 9 9 HIS H H 9 9.427 9.427 8.682 0.745 17797
435 1 8 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.278 0.272 17797
436 1 8 . 1 1 10 10 PHE H H 10 9.255 9.255 8.608 0.647 17797
437 1 8 . 1 1 11 11 GLY H H 11 8.642 8.642 9.291 -0.649 17797
438 1 8 . 1 1 12 12 GLY H H 12 7.976 7.976 7.960 0.016 17797
439 1 8 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.265 0.504 17797
440 1 8 . 1 1 13 13 CYS H H 13 8.487 8.487 8.287 0.200 17797
441 1 8 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.172 0.208 17797
442 1 8 . 1 1 15 15 SER HA H 15 3.934 3.934 4.269 -0.335 17797
443 1 8 . 1 1 15 15 SER H H 15 8.294 8.294 7.252 1.042 17797
444 1 8 . 1 1 16 16 HIS HA H 16 4.309 4.309 3.845 0.464 17797
445 1 8 . 1 1 16 16 HIS H H 16 8.331 8.331 7.795 0.536 17797
446 1 8 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.856 0.573 17797
447 1 8 . 1 1 17 17 LEU H H 17 7.606 7.606 7.908 -0.302 17797
448 1 8 . 1 1 18 18 ILE HA H 18 4.347 4.347 3.876 0.471 17797
449 1 8 . 1 1 18 18 ILE H H 18 8.946 8.946 8.004 0.942 17797
450 1 8 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.627 0.171 17797
451 1 8 . 1 1 19 19 LYS H H 19 8.568 8.568 8.618 -0.050 17797
452 1 8 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.510 -0.082 17797
453 1 8 . 1 1 20 20 VAL H H 20 8.803 8.803 8.935 -0.132 17797
454 1 8 . 1 1 21 21 GLY H H 21 7.805 7.805 7.940 -0.135 17797
455 1 8 . 1 1 22 22 SER HA H 22 5.031 5.031 4.544 0.487 17797
456 1 8 . 1 1 22 22 SER H H 22 8.728 8.728 8.194 0.534 17797
457 1 8 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.480 0.269 17797
458 1 8 . 1 1 23 23 CYS H H 23 8.094 8.094 8.478 -0.384 17797
459 1 8 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.525 -0.364 17797
460 1 8 . 1 1 24 24 PHE H H 24 7.759 7.759 7.303 0.456 17797
461 1 8 . 1 1 25 25 GLY H H 25 8.254 8.254 8.494 -0.240 17797
462 1 8 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.594 -0.221 17797
463 1 8 . 1 1 26 26 PHE H H 26 8.271 8.271 7.873 0.398 17797
464 1 8 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.690 -0.116 17797
465 1 8 . 1 1 27 27 ARG H H 27 7.063 7.063 7.533 -0.470 17797
466 1 8 . 1 1 28 28 SER HA H 28 4.596 4.596 4.180 0.416 17797
467 1 8 . 1 1 28 28 SER H H 28 9.136 9.136 8.099 1.037 17797
468 1 8 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.409 0.437 17797
469 1 8 . 1 1 29 29 CYS H H 29 8.592 8.592 8.320 0.272 17797
470 1 8 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.701 -0.187 17797
471 1 8 . 1 1 30 30 CYS H H 30 8.991 8.991 9.036 -0.045 17797
472 1 8 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.684 0.062 17797
473 1 8 . 1 1 31 31 LYS H H 31 9.313 9.313 8.255 1.058 17797
474 1 8 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.425 0.134 17797
475 1 8 . 1 1 32 32 TRP H H 32 8.387 8.387 8.740 -0.353 17797
476 1 8 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.041 0.113 17797
477 1 8 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.638 0.125 17797
478 1 8 . 1 1 34 34 TRP H H 34 6.993 6.993 7.245 -0.252 17797
479 1 8 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.542 0.311 17797
480 1 8 . 1 1 35 35 ASN H H 35 7.914 7.914 7.861 0.053 17797
481 1 9 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.309 0.361 17797
482 1 9 . 1 1 2 2 PHE H H 2 8.751 8.751 9.134 -0.383 17797
483 1 9 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.328 0.038 17797
484 1 9 . 1 1 3 3 CYS H H 3 8.885 8.885 8.525 0.360 17797
485 1 9 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.329 -0.289 17797
486 1 9 . 1 1 4 4 LYS H H 4 8.278 8.278 7.985 0.293 17797
487 1 9 . 1 1 5 5 GLY H H 5 9.033 9.033 8.056 0.977 17797
488 1 9 . 1 1 6 6 GLY H H 6 7.745 7.745 7.791 -0.046 17797
489 1 9 . 1 1 7 7 SER HA H 7 4.793 4.793 4.763 0.030 17797
490 1 9 . 1 1 7 7 SER H H 7 8.748 8.748 8.329 0.419 17797
491 1 9 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.912 0.742 17797
492 1 9 . 1 1 8 8 CYS H H 8 8.799 8.799 8.589 0.210 17797
493 1 9 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.502 0.256 17797
494 1 9 . 1 1 9 9 HIS H H 9 9.427 9.427 9.031 0.396 17797
495 1 9 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.376 0.174 17797
496 1 9 . 1 1 10 10 PHE H H 10 9.255 9.255 8.799 0.456 17797
497 1 9 . 1 1 11 11 GLY H H 11 8.642 8.642 7.901 0.741 17797
498 1 9 . 1 1 12 12 GLY H H 12 7.976 7.976 7.998 -0.022 17797
499 1 9 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.263 0.506 17797
500 1 9 . 1 1 13 13 CYS H H 13 8.487 8.487 8.206 0.282 17797
501 1 9 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.107 0.273 17797
502 1 9 . 1 1 15 15 SER HA H 15 3.934 3.934 4.344 -0.410 17797
503 1 9 . 1 1 15 15 SER H H 15 8.294 8.294 6.980 1.314 17797
504 1 9 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.566 -0.257 17797
505 1 9 . 1 1 16 16 HIS H H 16 8.331 8.331 8.435 -0.104 17797
506 1 9 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.178 0.251 17797
507 1 9 . 1 1 17 17 LEU H H 17 7.606 7.606 7.783 -0.177 17797
508 1 9 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.285 0.062 17797
509 1 9 . 1 1 18 18 ILE H H 18 8.946 8.946 7.926 1.020 17797
510 1 9 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.401 0.397 17797
511 1 9 . 1 1 19 19 LYS H H 19 8.568 8.568 8.543 0.025 17797
512 1 9 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.898 0.530 17797
513 1 9 . 1 1 20 20 VAL H H 20 8.803 8.803 8.358 0.445 17797
514 1 9 . 1 1 21 21 GLY H H 21 7.805 7.805 7.712 0.093 17797
515 1 9 . 1 1 22 22 SER HA H 22 5.031 5.031 4.862 0.169 17797
516 1 9 . 1 1 22 22 SER H H 22 8.728 8.728 8.256 0.472 17797
517 1 9 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.665 0.084 17797
518 1 9 . 1 1 23 23 CYS H H 23 8.094 8.094 9.080 -0.986 17797
519 1 9 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.618 -0.457 17797
520 1 9 . 1 1 24 24 PHE H H 24 7.759 7.759 7.789 -0.030 17797
521 1 9 . 1 1 25 25 GLY H H 25 8.254 8.254 7.925 0.329 17797
522 1 9 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.063 0.310 17797
523 1 9 . 1 1 26 26 PHE H H 26 8.271 8.271 8.295 -0.024 17797
524 1 9 . 1 1 27 27 ARG HA H 27 4.574 4.574 3.995 0.579 17797
525 1 9 . 1 1 27 27 ARG H H 27 7.063 7.063 7.596 -0.533 17797
526 1 9 . 1 1 28 28 SER HA H 28 4.596 4.596 4.445 0.151 17797
527 1 9 . 1 1 28 28 SER H H 28 9.136 9.136 8.084 1.052 17797
528 1 9 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.667 0.179 17797
529 1 9 . 1 1 29 29 CYS H H 29 8.592 8.592 8.328 0.264 17797
530 1 9 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.667 -0.153 17797
531 1 9 . 1 1 30 30 CYS H H 30 8.991 8.991 9.021 -0.030 17797
532 1 9 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.672 0.074 17797
533 1 9 . 1 1 31 31 LYS H H 31 9.313 9.313 8.106 1.207 17797
534 1 9 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.688 -0.129 17797
535 1 9 . 1 1 32 32 TRP H H 32 8.387 8.387 8.806 -0.419 17797
536 1 9 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.025 0.129 17797
537 1 9 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.774 -0.011 17797
538 1 9 . 1 1 34 34 TRP H H 34 6.993 6.993 8.582 -1.589 17797
539 1 9 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.551 0.302 17797
540 1 9 . 1 1 35 35 ASN H H 35 7.914 7.914 7.939 -0.025 17797
541 1 10 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.377 0.293 17797
542 1 10 . 1 1 2 2 PHE H H 2 8.751 8.751 8.431 0.320 17797
543 1 10 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.366 -0.000 17797
544 1 10 . 1 1 3 3 CYS H H 3 8.885 8.885 8.188 0.697 17797
545 1 10 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.080 -0.040 17797
546 1 10 . 1 1 4 4 LYS H H 4 8.278 8.278 8.862 -0.584 17797
547 1 10 . 1 1 5 5 GLY H H 5 9.033 9.033 8.577 0.456 17797
548 1 10 . 1 1 6 6 GLY H H 6 7.745 7.745 8.412 -0.667 17797
549 1 10 . 1 1 7 7 SER HA H 7 4.793 4.793 4.744 0.049 17797
550 1 10 . 1 1 7 7 SER H H 7 8.748 8.748 8.026 0.722 17797
551 1 10 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.713 0.941 17797
552 1 10 . 1 1 8 8 CYS H H 8 8.799 8.799 9.193 -0.394 17797
553 1 10 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.181 0.577 17797
554 1 10 . 1 1 9 9 HIS H H 9 9.427 9.427 8.432 0.995 17797
555 1 10 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.552 -0.002 17797
556 1 10 . 1 1 10 10 PHE H H 10 9.255 9.255 7.864 1.391 17797
557 1 10 . 1 1 11 11 GLY H H 11 8.642 8.642 7.351 1.291 17797
558 1 10 . 1 1 12 12 GLY H H 12 7.976 7.976 8.494 -0.518 17797
559 1 10 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.123 0.646 17797
560 1 10 . 1 1 13 13 CYS H H 13 8.487 8.487 8.009 0.478 17797
561 1 10 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.150 0.230 17797
562 1 10 . 1 1 15 15 SER HA H 15 3.934 3.934 4.270 -0.336 17797
563 1 10 . 1 1 15 15 SER H H 15 8.294 8.294 7.320 0.974 17797
564 1 10 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.130 0.179 17797
565 1 10 . 1 1 16 16 HIS H H 16 8.331 8.331 8.180 0.151 17797
566 1 10 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.091 0.338 17797
567 1 10 . 1 1 17 17 LEU H H 17 7.606 7.606 8.063 -0.457 17797
568 1 10 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.016 0.331 17797
569 1 10 . 1 1 18 18 ILE H H 18 8.946 8.946 8.011 0.935 17797
570 1 10 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.122 0.676 17797
571 1 10 . 1 1 19 19 LYS H H 19 8.568 8.568 8.434 0.134 17797
572 1 10 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.896 0.532 17797
573 1 10 . 1 1 20 20 VAL H H 20 8.803 8.803 8.839 -0.036 17797
574 1 10 . 1 1 21 21 GLY H H 21 7.805 7.805 7.664 0.141 17797
575 1 10 . 1 1 22 22 SER HA H 22 5.031 5.031 5.195 -0.164 17797
576 1 10 . 1 1 22 22 SER H H 22 8.728 8.728 8.366 0.362 17797
577 1 10 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.567 0.182 17797
578 1 10 . 1 1 23 23 CYS H H 23 8.094 8.094 8.793 -0.699 17797
579 1 10 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.446 -0.285 17797
580 1 10 . 1 1 24 24 PHE H H 24 7.759 7.759 8.704 -0.945 17797
581 1 10 . 1 1 25 25 GLY H H 25 8.254 8.254 8.674 -0.420 17797
582 1 10 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.680 -0.307 17797
583 1 10 . 1 1 26 26 PHE H H 26 8.271 8.271 7.630 0.641 17797
584 1 10 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.759 -0.185 17797
585 1 10 . 1 1 27 27 ARG H H 27 7.063 7.063 8.199 -1.136 17797
586 1 10 . 1 1 28 28 SER HA H 28 4.596 4.596 4.622 -0.026 17797
587 1 10 . 1 1 28 28 SER H H 28 9.136 9.136 8.681 0.455 17797
588 1 10 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.611 0.235 17797
589 1 10 . 1 1 29 29 CYS H H 29 8.592 8.592 8.288 0.304 17797
590 1 10 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.360 0.154 17797
591 1 10 . 1 1 30 30 CYS H H 30 8.991 8.991 9.152 -0.161 17797
592 1 10 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.763 -0.017 17797
593 1 10 . 1 1 31 31 LYS H H 31 9.313 9.313 8.946 0.367 17797
594 1 10 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.840 -0.281 17797
595 1 10 . 1 1 32 32 TRP H H 32 8.387 8.387 9.023 -0.636 17797
596 1 10 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.118 0.036 17797
597 1 10 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.485 0.278 17797
598 1 10 . 1 1 34 34 TRP H H 34 6.993 6.993 8.677 -1.684 17797
599 1 10 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.938 -0.085 17797
600 1 10 . 1 1 35 35 ASN H H 35 7.914 7.914 8.148 -0.234 17797
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 17797
2 1 1 "Average Difference" HA 40 0.382 -0.132 0.363 17797
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17797
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17797
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17797
6 1 1 "Average Difference" HN 32 0.526 -0.172 0.505 17797
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17797
8 1 2 "Average Difference" HA 40 0.331 -0.123 0.311 17797
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17797
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17797
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17797
12 1 2 "Average Difference" HN 32 0.540 -0.045 0.546 17797
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17797
14 1 3 "Average Difference" HA 40 0.333 -0.180 0.284 17797
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17797
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17797
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17797
18 1 3 "Average Difference" HN 32 0.631 -0.128 0.628 17797
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17797
20 1 4 "Average Difference" HA 40 0.353 -0.111 0.339 17797
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17797
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17797
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17797
24 1 4 "Average Difference" HN 32 0.527 -0.144 0.515 17797
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17797
26 1 5 "Average Difference" HA 40 0.372 -0.155 0.342 17797
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17797
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17797
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17797
30 1 5 "Average Difference" HN 32 0.469 -0.146 0.453 17797
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17797
32 1 6 "Average Difference" HA 40 0.392 -0.184 0.350 17797
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17797
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17797
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17797
36 1 6 "Average Difference" HN 32 0.639 -0.206 0.615 17797
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17797
38 1 7 "Average Difference" HA 40 0.347 -0.156 0.314 17797
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17797
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17797
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17797
42 1 7 "Average Difference" HN 32 0.634 -0.206 0.609 17797
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17797
44 1 8 "Average Difference" HA 40 0.381 -0.162 0.349 17797
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17797
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17797
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17797
48 1 8 "Average Difference" HN 32 0.531 -0.200 0.500 17797
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17797
50 1 9 "Average Difference" HA 40 0.320 -0.127 0.298 17797
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17797
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17797
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17797
54 1 9 "Average Difference" HN 32 0.624 -0.187 0.605 17797
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17797
56 1 10 "Average Difference" HA 40 0.330 -0.095 0.320 17797
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17797
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17797
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17797
60 1 10 "Average Difference" HN 32 0.720 -0.070 0.728 17797
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 17797
_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 PHE HA H 2 4.670 4.670 4.537 0.134 17797
2 1 . 1 1 2 2 PHE H H 2 8.751 8.751 8.731 0.020 17797
3 1 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.229 0.137 17797
4 1 . 1 1 3 3 CYS H H 3 8.885 8.885 8.514 0.372 17797
5 1 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.026 0.014 17797
6 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.467 -0.189 17797
7 1 . 1 1 5 5 GLY H H 5 9.033 9.033 8.367 0.666 17797
8 1 . 1 1 6 6 GLY H H 6 7.745 7.745 7.702 0.043 17797
9 1 . 1 1 7 7 SER HA H 7 4.793 4.793 4.663 0.130 17797
10 1 . 1 1 7 7 SER H H 7 8.748 8.748 8.317 0.431 17797
11 1 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.455 1.199 17797
12 1 . 1 1 8 8 CYS H H 8 8.799 8.799 8.897 -0.099 17797
13 1 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.450 0.308 17797
14 1 . 1 1 9 9 HIS H H 9 9.427 9.427 8.644 0.783 17797
15 1 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.411 0.139 17797
16 1 . 1 1 10 10 PHE H H 10 9.255 9.255 8.467 0.788 17797
17 1 . 1 1 11 11 GLY H H 11 8.642 8.642 8.285 0.357 17797
18 1 . 1 1 12 12 GLY H H 12 7.976 7.976 7.916 0.060 17797
19 1 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.516 0.253 17797
20 1 . 1 1 13 13 CYS H H 13 8.487 8.487 8.183 0.304 17797
21 1 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.188 0.192 17797
22 1 . 1 1 15 15 SER HA H 15 3.934 3.934 4.273 -0.339 17797
23 1 . 1 1 15 15 SER H H 15 8.294 8.294 7.581 0.713 17797
24 1 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.312 -0.003 17797
25 1 . 1 1 16 16 HIS H H 16 8.331 8.331 8.022 0.309 17797
26 1 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.951 0.478 17797
27 1 . 1 1 17 17 LEU H H 17 7.606 7.606 7.764 -0.158 17797
28 1 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.085 0.262 17797
29 1 . 1 1 18 18 ILE H H 18 8.946 8.946 8.085 0.861 17797
30 1 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.336 0.462 17797
31 1 . 1 1 19 19 LYS H H 19 8.568 8.568 8.555 0.013 17797
32 1 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.140 0.288 17797
33 1 . 1 1 20 20 VAL H H 20 8.803 8.803 8.691 0.113 17797
34 1 . 1 1 21 21 GLY H H 21 7.805 7.805 7.733 0.072 17797
35 1 . 1 1 22 22 SER HA H 22 5.031 5.031 4.860 0.171 17797
36 1 . 1 1 22 22 SER H H 22 8.728 8.728 8.179 0.549 17797
37 1 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.623 0.126 17797
38 1 . 1 1 23 23 CYS H H 23 8.094 8.094 8.685 -0.591 17797
39 1 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.494 -0.333 17797
40 1 . 1 1 24 24 PHE H H 24 7.759 7.759 8.171 -0.412 17797
41 1 . 1 1 25 25 GLY H H 25 8.254 8.254 8.197 0.057 17797
42 1 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.309 0.064 17797
43 1 . 1 1 26 26 PHE H H 26 8.271 8.271 8.153 0.118 17797
44 1 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.439 0.135 17797
45 1 . 1 1 27 27 ARG H H 27 7.063 7.063 7.870 -0.807 17797
46 1 . 1 1 28 28 SER HA H 28 4.596 4.596 4.341 0.255 17797
47 1 . 1 1 28 28 SER H H 28 9.136 9.136 8.260 0.876 17797
48 1 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.463 0.383 17797
49 1 . 1 1 29 29 CYS H H 29 8.592 8.592 8.435 0.157 17797
50 1 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.275 0.239 17797
51 1 . 1 1 30 30 CYS H H 30 8.991 8.991 9.061 -0.070 17797
52 1 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.676 0.070 17797
53 1 . 1 1 31 31 LYS H H 31 9.313 9.313 8.389 0.924 17797
54 1 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.525 0.034 17797
55 1 . 1 1 32 32 TRP H H 32 8.387 8.387 8.774 -0.387 17797
56 1 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.132 0.022 17797
57 1 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.704 0.058 17797
58 1 . 1 1 34 34 TRP H H 34 6.993 6.993 7.870 -0.877 17797
59 1 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.709 0.144 17797
60 1 . 1 1 35 35 ASN H H 35 7.914 7.914 8.091 -0.177 17797
stop_
save_