data_18354
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18354
_Entry.PDB_ID 2LR9
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 18354
_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 ASN HA H 2 4.529 4.529 4.476 0.053 18354
2 1 1 . 1 1 2 2 ASN H H 2 7.684 7.684 7.709 -0.025 18354
3 1 1 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.452 -0.240 18354
4 1 1 . 1 1 3 3 TRP H H 3 8.207 8.207 8.260 -0.053 18354
5 1 1 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.830 -0.209 18354
6 1 1 . 1 1 4 4 ARG H H 4 7.655 7.655 7.062 0.593 18354
7 1 1 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.190 -0.133 18354
8 1 1 . 1 1 5 5 CYS H H 5 7.635 7.635 7.592 0.043 18354
9 1 1 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.364 -0.105 18354
10 1 1 . 1 1 6 6 CYS H H 6 7.614 7.614 8.112 -0.498 18354
11 1 1 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.515 -0.231 18354
12 1 1 . 1 1 7 7 LEU H H 7 7.636 7.636 7.678 -0.042 18354
13 1 1 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.453 0.057 18354
14 1 1 . 1 1 8 8 ILE H H 8 7.756 7.756 7.495 0.261 18354
15 1 1 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.183 -0.224 18354
16 1 1 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.253 -0.334 18354
17 1 1 . 1 1 10 10 ALA H H 10 8.534 8.534 8.397 0.137 18354
18 1 1 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.427 0.043 18354
19 1 1 . 1 1 11 11 CYS H H 11 7.321 7.321 7.902 -0.581 18354
20 1 1 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.178 -0.327 18354
21 1 1 . 1 1 12 12 ARG H H 12 8.933 8.933 8.697 0.236 18354
22 1 1 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.138 -0.183 18354
23 1 1 . 1 1 13 13 ARG H H 13 7.755 7.755 7.949 -0.194 18354
24 1 1 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.589 0.177 18354
25 1 1 . 1 1 14 14 ASN H H 14 7.171 7.171 7.601 -0.430 18354
26 1 1 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.157 -0.292 18354
27 1 1 . 1 1 15 15 HIS H H 15 7.815 7.815 8.106 -0.291 18354
28 1 1 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.274 -0.497 18354
29 1 1 . 1 1 16 16 LYS H H 16 8.086 8.086 8.317 -0.231 18354
30 1 1 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.053 -0.133 18354
31 1 1 . 1 1 17 17 LYS H H 17 8.377 8.377 8.207 0.170 18354
32 1 1 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.253 0.015 18354
33 1 1 . 1 1 18 18 PHE H H 18 7.704 7.704 7.527 0.177 18354
34 1 2 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.525 0.004 18354
35 1 2 . 1 1 2 2 ASN H H 2 7.684 7.684 7.605 0.079 18354
36 1 2 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.524 -0.312 18354
37 1 2 . 1 1 3 3 TRP H H 3 8.207 8.207 8.329 -0.122 18354
38 1 2 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.717 -0.096 18354
39 1 2 . 1 1 4 4 ARG H H 4 7.655 7.655 7.113 0.542 18354
40 1 2 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.199 -0.142 18354
41 1 2 . 1 1 5 5 CYS H H 5 7.635 7.635 7.609 0.026 18354
42 1 2 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.387 -0.128 18354
43 1 2 . 1 1 6 6 CYS H H 6 7.614 7.614 8.131 -0.517 18354
44 1 2 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.525 -0.241 18354
45 1 2 . 1 1 7 7 LEU H H 7 7.636 7.636 7.506 0.130 18354
46 1 2 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.479 0.031 18354
47 1 2 . 1 1 8 8 ILE H H 8 7.756 7.756 7.464 0.292 18354
48 1 2 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.166 -0.207 18354
49 1 2 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.259 -0.340 18354
50 1 2 . 1 1 10 10 ALA H H 10 8.534 8.534 8.345 0.189 18354
51 1 2 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.429 0.041 18354
52 1 2 . 1 1 11 11 CYS H H 11 7.321 7.321 7.859 -0.538 18354
53 1 2 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.140 -0.289 18354
54 1 2 . 1 1 12 12 ARG H H 12 8.933 8.933 8.718 0.215 18354
55 1 2 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.121 -0.166 18354
56 1 2 . 1 1 13 13 ARG H H 13 7.755 7.755 7.794 -0.039 18354
57 1 2 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.566 0.200 18354
58 1 2 . 1 1 14 14 ASN H H 14 7.171 7.171 7.510 -0.339 18354
59 1 2 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.978 -0.113 18354
60 1 2 . 1 1 15 15 HIS H H 15 7.815 7.815 8.069 -0.254 18354
61 1 2 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.265 -0.488 18354
62 1 2 . 1 1 16 16 LYS H H 16 8.086 8.086 8.245 -0.159 18354
63 1 2 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.152 -0.232 18354
64 1 2 . 1 1 17 17 LYS H H 17 8.377 8.377 8.047 0.330 18354
65 1 2 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.289 -0.021 18354
66 1 2 . 1 1 18 18 PHE H H 18 7.704 7.704 7.638 0.066 18354
67 1 3 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.627 -0.098 18354
68 1 3 . 1 1 2 2 ASN H H 2 7.684 7.684 8.444 -0.760 18354
69 1 3 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.702 -0.490 18354
70 1 3 . 1 1 3 3 TRP H H 3 8.207 8.207 8.101 0.106 18354
71 1 3 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.798 -0.177 18354
72 1 3 . 1 1 4 4 ARG H H 4 7.655 7.655 7.209 0.446 18354
73 1 3 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.282 -0.225 18354
74 1 3 . 1 1 5 5 CYS H H 5 7.635 7.635 7.822 -0.187 18354
75 1 3 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.361 -0.102 18354
76 1 3 . 1 1 6 6 CYS H H 6 7.614 7.614 8.171 -0.557 18354
77 1 3 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.457 -0.173 18354
78 1 3 . 1 1 7 7 LEU H H 7 7.636 7.636 7.830 -0.194 18354
79 1 3 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.556 -0.046 18354
80 1 3 . 1 1 8 8 ILE H H 8 7.756 7.756 7.573 0.183 18354
81 1 3 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.200 -0.241 18354
82 1 3 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.297 -0.378 18354
83 1 3 . 1 1 10 10 ALA H H 10 8.534 8.534 8.322 0.212 18354
84 1 3 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.490 -0.020 18354
85 1 3 . 1 1 11 11 CYS H H 11 7.321 7.321 7.912 -0.591 18354
86 1 3 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.106 -0.255 18354
87 1 3 . 1 1 12 12 ARG H H 12 8.933 8.933 8.661 0.272 18354
88 1 3 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.129 -0.174 18354
89 1 3 . 1 1 13 13 ARG H H 13 7.755 7.755 7.684 0.071 18354
90 1 3 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.571 0.195 18354
91 1 3 . 1 1 14 14 ASN H H 14 7.171 7.171 7.626 -0.455 18354
92 1 3 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.051 -0.186 18354
93 1 3 . 1 1 15 15 HIS H H 15 7.815 7.815 7.970 -0.155 18354
94 1 3 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.209 -0.432 18354
95 1 3 . 1 1 16 16 LYS H H 16 8.086 8.086 8.261 -0.175 18354
96 1 3 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.047 -0.127 18354
97 1 3 . 1 1 17 17 LYS H H 17 8.377 8.377 8.040 0.337 18354
98 1 3 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.204 0.064 18354
99 1 3 . 1 1 18 18 PHE H H 18 7.704 7.704 7.577 0.127 18354
100 1 4 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.500 0.029 18354
101 1 4 . 1 1 2 2 ASN H H 2 7.684 7.684 7.664 0.020 18354
102 1 4 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.534 -0.322 18354
103 1 4 . 1 1 3 3 TRP H H 3 8.207 8.207 8.189 0.018 18354
104 1 4 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.811 -0.190 18354
105 1 4 . 1 1 4 4 ARG H H 4 7.655 7.655 7.098 0.557 18354
106 1 4 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.207 -0.149 18354
107 1 4 . 1 1 5 5 CYS H H 5 7.635 7.635 7.615 0.020 18354
108 1 4 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.353 -0.094 18354
109 1 4 . 1 1 6 6 CYS H H 6 7.614 7.614 8.101 -0.487 18354
110 1 4 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.480 -0.196 18354
111 1 4 . 1 1 7 7 LEU H H 7 7.636 7.636 7.727 -0.091 18354
112 1 4 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.564 -0.054 18354
113 1 4 . 1 1 8 8 ILE H H 8 7.756 7.756 7.607 0.149 18354
114 1 4 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.272 -0.313 18354
115 1 4 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.429 -0.510 18354
116 1 4 . 1 1 10 10 ALA H H 10 8.534 8.534 8.221 0.313 18354
117 1 4 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.488 -0.018 18354
118 1 4 . 1 1 11 11 CYS H H 11 7.321 7.321 7.842 -0.521 18354
119 1 4 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.203 -0.352 18354
120 1 4 . 1 1 12 12 ARG H H 12 8.933 8.933 8.618 0.315 18354
121 1 4 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.144 -0.189 18354
122 1 4 . 1 1 13 13 ARG H H 13 7.755 7.755 8.387 -0.632 18354
123 1 4 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.618 0.148 18354
124 1 4 . 1 1 14 14 ASN H H 14 7.171 7.171 7.647 -0.476 18354
125 1 4 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.134 -0.269 18354
126 1 4 . 1 1 15 15 HIS H H 15 7.815 7.815 7.957 -0.142 18354
127 1 4 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.294 -0.517 18354
128 1 4 . 1 1 16 16 LYS H H 16 8.086 8.086 7.958 0.128 18354
129 1 4 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.103 -0.183 18354
130 1 4 . 1 1 17 17 LYS H H 17 8.377 8.377 8.175 0.202 18354
131 1 4 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.380 -0.112 18354
132 1 4 . 1 1 18 18 PHE H H 18 7.704 7.704 7.634 0.070 18354
133 1 5 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.818 -0.289 18354
134 1 5 . 1 1 2 2 ASN H H 2 7.684 7.684 8.624 -0.940 18354
135 1 5 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.705 -0.493 18354
136 1 5 . 1 1 3 3 TRP H H 3 8.207 8.207 8.773 -0.566 18354
137 1 5 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.729 -0.108 18354
138 1 5 . 1 1 4 4 ARG H H 4 7.655 7.655 7.756 -0.101 18354
139 1 5 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.285 -0.228 18354
140 1 5 . 1 1 5 5 CYS H H 5 7.635 7.635 7.903 -0.268 18354
141 1 5 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.371 -0.112 18354
142 1 5 . 1 1 6 6 CYS H H 6 7.614 7.614 8.233 -0.619 18354
143 1 5 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.587 -0.303 18354
144 1 5 . 1 1 7 7 LEU H H 7 7.636 7.636 7.743 -0.107 18354
145 1 5 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.517 -0.007 18354
146 1 5 . 1 1 8 8 ILE H H 8 7.756 7.756 7.553 0.203 18354
147 1 5 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.263 -0.304 18354
148 1 5 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.313 -0.394 18354
149 1 5 . 1 1 10 10 ALA H H 10 8.534 8.534 8.073 0.461 18354
150 1 5 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.193 0.277 18354
151 1 5 . 1 1 11 11 CYS H H 11 7.321 7.321 7.822 -0.501 18354
152 1 5 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.098 -0.247 18354
153 1 5 . 1 1 12 12 ARG H H 12 8.933 8.933 8.574 0.359 18354
154 1 5 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.107 -0.152 18354
155 1 5 . 1 1 13 13 ARG H H 13 7.755 7.755 7.883 -0.128 18354
156 1 5 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.781 -0.015 18354
157 1 5 . 1 1 14 14 ASN H H 14 7.171 7.171 7.706 -0.535 18354
158 1 5 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.028 -0.163 18354
159 1 5 . 1 1 15 15 HIS H H 15 7.815 7.815 8.081 -0.266 18354
160 1 5 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.185 -0.408 18354
161 1 5 . 1 1 16 16 LYS H H 16 8.086 8.086 8.191 -0.105 18354
162 1 5 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.046 -0.126 18354
163 1 5 . 1 1 17 17 LYS H H 17 8.377 8.377 8.181 0.196 18354
164 1 5 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.128 0.140 18354
165 1 5 . 1 1 18 18 PHE H H 18 7.704 7.704 7.564 0.140 18354
166 1 6 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.545 -0.016 18354
167 1 6 . 1 1 2 2 ASN H H 2 7.684 7.684 7.817 -0.133 18354
168 1 6 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.611 -0.399 18354
169 1 6 . 1 1 3 3 TRP H H 3 8.207 8.207 7.616 0.591 18354
170 1 6 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.798 -0.177 18354
171 1 6 . 1 1 4 4 ARG H H 4 7.655 7.655 7.498 0.157 18354
172 1 6 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.103 -0.046 18354
173 1 6 . 1 1 5 5 CYS H H 5 7.635 7.635 7.624 0.011 18354
174 1 6 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.350 -0.091 18354
175 1 6 . 1 1 6 6 CYS H H 6 7.614 7.614 8.169 -0.555 18354
176 1 6 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.453 -0.169 18354
177 1 6 . 1 1 7 7 LEU H H 7 7.636 7.636 7.899 -0.263 18354
178 1 6 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.525 -0.015 18354
179 1 6 . 1 1 8 8 ILE H H 8 7.756 7.756 7.543 0.213 18354
180 1 6 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.146 -0.187 18354
181 1 6 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.256 -0.337 18354
182 1 6 . 1 1 10 10 ALA H H 10 8.534 8.534 8.325 0.209 18354
183 1 6 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.445 0.025 18354
184 1 6 . 1 1 11 11 CYS H H 11 7.321 7.321 7.839 -0.518 18354
185 1 6 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.121 -0.270 18354
186 1 6 . 1 1 12 12 ARG H H 12 8.933 8.933 8.654 0.279 18354
187 1 6 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.213 -0.258 18354
188 1 6 . 1 1 13 13 ARG H H 13 7.755 7.755 7.780 -0.025 18354
189 1 6 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.667 0.099 18354
190 1 6 . 1 1 14 14 ASN H H 14 7.171 7.171 7.724 -0.553 18354
191 1 6 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.921 -0.056 18354
192 1 6 . 1 1 15 15 HIS H H 15 7.815 7.815 8.090 -0.275 18354
193 1 6 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.242 -0.465 18354
194 1 6 . 1 1 16 16 LYS H H 16 8.086 8.086 7.997 0.089 18354
195 1 6 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.172 -0.252 18354
196 1 6 . 1 1 17 17 LYS H H 17 8.377 8.377 8.095 0.282 18354
197 1 6 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.356 -0.088 18354
198 1 6 . 1 1 18 18 PHE H H 18 7.704 7.704 8.150 -0.446 18354
199 1 7 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.526 0.003 18354
200 1 7 . 1 1 2 2 ASN H H 2 7.684 7.684 7.846 -0.162 18354
201 1 7 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.549 -0.337 18354
202 1 7 . 1 1 3 3 TRP H H 3 8.207 8.207 8.140 0.067 18354
203 1 7 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.894 -0.273 18354
204 1 7 . 1 1 4 4 ARG H H 4 7.655 7.655 7.147 0.508 18354
205 1 7 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.230 -0.173 18354
206 1 7 . 1 1 5 5 CYS H H 5 7.635 7.635 7.733 -0.098 18354
207 1 7 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.353 -0.094 18354
208 1 7 . 1 1 6 6 CYS H H 6 7.614 7.614 8.176 -0.562 18354
209 1 7 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.468 -0.184 18354
210 1 7 . 1 1 7 7 LEU H H 7 7.636 7.636 7.745 -0.109 18354
211 1 7 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.551 -0.041 18354
212 1 7 . 1 1 8 8 ILE H H 8 7.756 7.756 7.567 0.189 18354
213 1 7 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.162 -0.203 18354
214 1 7 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.195 -0.276 18354
215 1 7 . 1 1 10 10 ALA H H 10 8.534 8.534 8.385 0.149 18354
216 1 7 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.293 0.177 18354
217 1 7 . 1 1 11 11 CYS H H 11 7.321 7.321 7.851 -0.530 18354
218 1 7 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.204 -0.353 18354
219 1 7 . 1 1 12 12 ARG H H 12 8.933 8.933 8.669 0.264 18354
220 1 7 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.083 -0.128 18354
221 1 7 . 1 1 13 13 ARG H H 13 7.755 7.755 7.977 -0.222 18354
222 1 7 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.844 -0.078 18354
223 1 7 . 1 1 14 14 ASN H H 14 7.171 7.171 7.742 -0.571 18354
224 1 7 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.197 -0.332 18354
225 1 7 . 1 1 15 15 HIS H H 15 7.815 7.815 7.901 -0.086 18354
226 1 7 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.118 -0.341 18354
227 1 7 . 1 1 16 16 LYS H H 16 8.086 8.086 8.141 -0.055 18354
228 1 7 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.079 -0.159 18354
229 1 7 . 1 1 17 17 LYS H H 17 8.377 8.377 8.086 0.291 18354
230 1 7 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.310 -0.042 18354
231 1 7 . 1 1 18 18 PHE H H 18 7.704 7.704 7.539 0.165 18354
232 1 8 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.551 -0.022 18354
233 1 8 . 1 1 2 2 ASN H H 2 7.684 7.684 7.607 0.077 18354
234 1 8 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.544 -0.332 18354
235 1 8 . 1 1 3 3 TRP H H 3 8.207 8.207 8.490 -0.283 18354
236 1 8 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.702 -0.081 18354
237 1 8 . 1 1 4 4 ARG H H 4 7.655 7.655 7.132 0.523 18354
238 1 8 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.186 -0.129 18354
239 1 8 . 1 1 5 5 CYS H H 5 7.635 7.635 7.599 0.036 18354
240 1 8 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.364 -0.105 18354
241 1 8 . 1 1 6 6 CYS H H 6 7.614 7.614 8.098 -0.484 18354
242 1 8 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.502 -0.218 18354
243 1 8 . 1 1 7 7 LEU H H 7 7.636 7.636 7.632 0.004 18354
244 1 8 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.371 0.139 18354
245 1 8 . 1 1 8 8 ILE H H 8 7.756 7.756 7.491 0.265 18354
246 1 8 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.159 -0.200 18354
247 1 8 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.247 -0.328 18354
248 1 8 . 1 1 10 10 ALA H H 10 8.534 8.534 8.383 0.151 18354
249 1 8 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.434 0.036 18354
250 1 8 . 1 1 11 11 CYS H H 11 7.321 7.321 7.871 -0.550 18354
251 1 8 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.175 -0.324 18354
252 1 8 . 1 1 12 12 ARG H H 12 8.933 8.933 8.614 0.319 18354
253 1 8 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.175 -0.220 18354
254 1 8 . 1 1 13 13 ARG H H 13 7.755 7.755 7.846 -0.091 18354
255 1 8 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.595 0.171 18354
256 1 8 . 1 1 14 14 ASN H H 14 7.171 7.171 7.496 -0.325 18354
257 1 8 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.952 -0.087 18354
258 1 8 . 1 1 15 15 HIS H H 15 7.815 7.815 8.024 -0.209 18354
259 1 8 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.214 -0.437 18354
260 1 8 . 1 1 16 16 LYS H H 16 8.086 8.086 8.269 -0.183 18354
261 1 8 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.130 -0.210 18354
262 1 8 . 1 1 17 17 LYS H H 17 8.377 8.377 7.982 0.395 18354
263 1 8 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.260 0.008 18354
264 1 8 . 1 1 18 18 PHE H H 18 7.704 7.704 7.651 0.053 18354
265 1 9 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.501 0.028 18354
266 1 9 . 1 1 2 2 ASN H H 2 7.684 7.684 7.649 0.035 18354
267 1 9 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.527 -0.315 18354
268 1 9 . 1 1 3 3 TRP H H 3 8.207 8.207 8.191 0.016 18354
269 1 9 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.682 -0.061 18354
270 1 9 . 1 1 4 4 ARG H H 4 7.655 7.655 7.093 0.562 18354
271 1 9 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.173 -0.116 18354
272 1 9 . 1 1 5 5 CYS H H 5 7.635 7.635 7.615 0.020 18354
273 1 9 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.352 -0.093 18354
274 1 9 . 1 1 6 6 CYS H H 6 7.614 7.614 8.113 -0.499 18354
275 1 9 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.509 -0.225 18354
276 1 9 . 1 1 7 7 LEU H H 7 7.636 7.636 7.662 -0.026 18354
277 1 9 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.443 0.067 18354
278 1 9 . 1 1 8 8 ILE H H 8 7.756 7.756 7.468 0.288 18354
279 1 9 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.175 -0.216 18354
280 1 9 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.248 -0.329 18354
281 1 9 . 1 1 10 10 ALA H H 10 8.534 8.534 8.370 0.164 18354
282 1 9 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.422 0.048 18354
283 1 9 . 1 1 11 11 CYS H H 11 7.321 7.321 7.868 -0.547 18354
284 1 9 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.162 -0.311 18354
285 1 9 . 1 1 12 12 ARG H H 12 8.933 8.933 8.656 0.277 18354
286 1 9 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.157 -0.202 18354
287 1 9 . 1 1 13 13 ARG H H 13 7.755 7.755 7.884 -0.129 18354
288 1 9 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.584 0.182 18354
289 1 9 . 1 1 14 14 ASN H H 14 7.171 7.171 7.598 -0.427 18354
290 1 9 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.963 -0.098 18354
291 1 9 . 1 1 15 15 HIS H H 15 7.815 7.815 7.985 -0.170 18354
292 1 9 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.234 -0.457 18354
293 1 9 . 1 1 16 16 LYS H H 16 8.086 8.086 8.283 -0.197 18354
294 1 9 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.151 -0.231 18354
295 1 9 . 1 1 17 17 LYS H H 17 8.377 8.377 8.037 0.340 18354
296 1 9 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.313 -0.045 18354
297 1 9 . 1 1 18 18 PHE H H 18 7.704 7.704 7.651 0.053 18354
298 1 10 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.486 0.043 18354
299 1 10 . 1 1 2 2 ASN H H 2 7.684 7.684 7.720 -0.036 18354
300 1 10 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.542 -0.330 18354
301 1 10 . 1 1 3 3 TRP H H 3 8.207 8.207 8.271 -0.064 18354
302 1 10 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.827 -0.206 18354
303 1 10 . 1 1 4 4 ARG H H 4 7.655 7.655 7.076 0.579 18354
304 1 10 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.144 -0.087 18354
305 1 10 . 1 1 5 5 CYS H H 5 7.635 7.635 7.583 0.052 18354
306 1 10 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.337 -0.078 18354
307 1 10 . 1 1 6 6 CYS H H 6 7.614 7.614 8.100 -0.486 18354
308 1 10 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.492 -0.207 18354
309 1 10 . 1 1 7 7 LEU H H 7 7.636 7.636 7.756 -0.120 18354
310 1 10 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.585 -0.075 18354
311 1 10 . 1 1 8 8 ILE H H 8 7.756 7.756 7.640 0.116 18354
312 1 10 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.271 -0.312 18354
313 1 10 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.370 -0.451 18354
314 1 10 . 1 1 10 10 ALA H H 10 8.534 8.534 8.143 0.391 18354
315 1 10 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.546 -0.076 18354
316 1 10 . 1 1 11 11 CYS H H 11 7.321 7.321 7.838 -0.517 18354
317 1 10 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.185 -0.334 18354
318 1 10 . 1 1 12 12 ARG H H 12 8.933 8.933 8.496 0.437 18354
319 1 10 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.116 -0.161 18354
320 1 10 . 1 1 13 13 ARG H H 13 7.755 7.755 8.135 -0.380 18354
321 1 10 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.757 0.009 18354
322 1 10 . 1 1 14 14 ASN H H 14 7.171 7.171 7.818 -0.647 18354
323 1 10 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.831 0.034 18354
324 1 10 . 1 1 15 15 HIS H H 15 7.815 7.815 7.902 -0.087 18354
325 1 10 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.130 -0.353 18354
326 1 10 . 1 1 16 16 LYS H H 16 8.086 8.086 7.889 0.197 18354
327 1 10 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.115 -0.195 18354
328 1 10 . 1 1 17 17 LYS H H 17 8.377 8.377 8.043 0.334 18354
329 1 10 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.333 -0.065 18354
330 1 10 . 1 1 18 18 PHE H H 18 7.704 7.704 8.009 -0.305 18354
331 1 11 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.563 -0.034 18354
332 1 11 . 1 1 2 2 ASN H H 2 7.684 7.684 7.685 -0.001 18354
333 1 11 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.477 -0.265 18354
334 1 11 . 1 1 3 3 TRP H H 3 8.207 8.207 8.422 -0.215 18354
335 1 11 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.730 -0.109 18354
336 1 11 . 1 1 4 4 ARG H H 4 7.655 7.655 7.130 0.525 18354
337 1 11 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.176 -0.119 18354
338 1 11 . 1 1 5 5 CYS H H 5 7.635 7.635 7.644 -0.009 18354
339 1 11 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.356 -0.097 18354
340 1 11 . 1 1 6 6 CYS H H 6 7.614 7.614 8.123 -0.509 18354
341 1 11 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.507 -0.223 18354
342 1 11 . 1 1 7 7 LEU H H 7 7.636 7.636 7.532 0.104 18354
343 1 11 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.401 0.109 18354
344 1 11 . 1 1 8 8 ILE H H 8 7.756 7.756 7.548 0.208 18354
345 1 11 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.166 -0.207 18354
346 1 11 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.240 -0.321 18354
347 1 11 . 1 1 10 10 ALA H H 10 8.534 8.534 8.335 0.199 18354
348 1 11 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.428 0.042 18354
349 1 11 . 1 1 11 11 CYS H H 11 7.321 7.321 7.875 -0.554 18354
350 1 11 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.181 -0.330 18354
351 1 11 . 1 1 12 12 ARG H H 12 8.933 8.933 8.539 0.394 18354
352 1 11 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.127 -0.172 18354
353 1 11 . 1 1 13 13 ARG H H 13 7.755 7.755 7.795 -0.040 18354
354 1 11 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.599 0.167 18354
355 1 11 . 1 1 14 14 ASN H H 14 7.171 7.171 7.608 -0.437 18354
356 1 11 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.087 -0.222 18354
357 1 11 . 1 1 15 15 HIS H H 15 7.815 7.815 7.924 -0.109 18354
358 1 11 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.332 -0.555 18354
359 1 11 . 1 1 16 16 LYS H H 16 8.086 8.086 7.965 0.121 18354
360 1 11 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.158 -0.238 18354
361 1 11 . 1 1 17 17 LYS H H 17 8.377 8.377 8.289 0.088 18354
362 1 11 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.386 -0.118 18354
363 1 11 . 1 1 18 18 PHE H H 18 7.704 7.704 7.641 0.063 18354
364 1 12 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.706 -0.177 18354
365 1 12 . 1 1 2 2 ASN H H 2 7.684 7.684 7.598 0.086 18354
366 1 12 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.479 -0.267 18354
367 1 12 . 1 1 3 3 TRP H H 3 8.207 8.207 8.888 -0.681 18354
368 1 12 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.772 -0.151 18354
369 1 12 . 1 1 4 4 ARG H H 4 7.655 7.655 7.741 -0.086 18354
370 1 12 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.247 -0.190 18354
371 1 12 . 1 1 5 5 CYS H H 5 7.635 7.635 7.656 -0.021 18354
372 1 12 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.365 -0.106 18354
373 1 12 . 1 1 6 6 CYS H H 6 7.614 7.614 8.153 -0.539 18354
374 1 12 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.495 -0.211 18354
375 1 12 . 1 1 7 7 LEU H H 7 7.636 7.636 7.747 -0.111 18354
376 1 12 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.545 -0.035 18354
377 1 12 . 1 1 8 8 ILE H H 8 7.756 7.756 7.564 0.193 18354
378 1 12 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.186 -0.227 18354
379 1 12 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.247 -0.328 18354
380 1 12 . 1 1 10 10 ALA H H 10 8.534 8.534 8.278 0.256 18354
381 1 12 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.378 0.092 18354
382 1 12 . 1 1 11 11 CYS H H 11 7.321 7.321 7.810 -0.489 18354
383 1 12 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.197 -0.346 18354
384 1 12 . 1 1 12 12 ARG H H 12 8.933 8.933 8.552 0.381 18354
385 1 12 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.083 -0.128 18354
386 1 12 . 1 1 13 13 ARG H H 13 7.755 7.755 7.807 -0.052 18354
387 1 12 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.645 0.121 18354
388 1 12 . 1 1 14 14 ASN H H 14 7.171 7.171 7.650 -0.479 18354
389 1 12 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.213 -0.348 18354
390 1 12 . 1 1 15 15 HIS H H 15 7.815 7.815 7.652 0.163 18354
391 1 12 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.193 -0.416 18354
392 1 12 . 1 1 16 16 LYS H H 16 8.086 8.086 8.142 -0.056 18354
393 1 12 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.142 -0.222 18354
394 1 12 . 1 1 17 17 LYS H H 17 8.377 8.377 8.291 0.086 18354
395 1 12 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.281 -0.013 18354
396 1 12 . 1 1 18 18 PHE H H 18 7.704 7.704 7.360 0.344 18354
397 1 13 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.644 -0.115 18354
398 1 13 . 1 1 2 2 ASN H H 2 7.684 7.684 8.421 -0.737 18354
399 1 13 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.587 -0.375 18354
400 1 13 . 1 1 3 3 TRP H H 3 8.207 8.207 8.335 -0.128 18354
401 1 13 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.848 -0.227 18354
402 1 13 . 1 1 4 4 ARG H H 4 7.655 7.655 7.398 0.257 18354
403 1 13 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.312 -0.255 18354
404 1 13 . 1 1 5 5 CYS H H 5 7.635 7.635 7.852 -0.217 18354
405 1 13 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.383 -0.124 18354
406 1 13 . 1 1 6 6 CYS H H 6 7.614 7.614 8.192 -0.578 18354
407 1 13 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.455 -0.171 18354
408 1 13 . 1 1 7 7 LEU H H 7 7.636 7.636 7.790 -0.154 18354
409 1 13 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.559 -0.049 18354
410 1 13 . 1 1 8 8 ILE H H 8 7.756 7.756 7.543 0.213 18354
411 1 13 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.175 -0.216 18354
412 1 13 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.245 -0.326 18354
413 1 13 . 1 1 10 10 ALA H H 10 8.534 8.534 8.375 0.159 18354
414 1 13 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.413 0.057 18354
415 1 13 . 1 1 11 11 CYS H H 11 7.321 7.321 7.873 -0.552 18354
416 1 13 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.127 -0.276 18354
417 1 13 . 1 1 12 12 ARG H H 12 8.933 8.933 8.632 0.301 18354
418 1 13 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.106 -0.151 18354
419 1 13 . 1 1 13 13 ARG H H 13 7.755 7.755 7.865 -0.110 18354
420 1 13 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.575 0.191 18354
421 1 13 . 1 1 14 14 ASN H H 14 7.171 7.171 7.532 -0.361 18354
422 1 13 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.092 -0.227 18354
423 1 13 . 1 1 15 15 HIS H H 15 7.815 7.815 7.948 -0.133 18354
424 1 13 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.250 -0.473 18354
425 1 13 . 1 1 16 16 LYS H H 16 8.086 8.086 8.144 -0.058 18354
426 1 13 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.133 -0.213 18354
427 1 13 . 1 1 17 17 LYS H H 17 8.377 8.377 7.884 0.493 18354
428 1 13 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.177 0.091 18354
429 1 13 . 1 1 18 18 PHE H H 18 7.704 7.704 7.461 0.243 18354
430 1 14 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.573 -0.044 18354
431 1 14 . 1 1 2 2 ASN H H 2 7.684 7.684 7.802 -0.118 18354
432 1 14 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.452 -0.240 18354
433 1 14 . 1 1 3 3 TRP H H 3 8.207 8.207 8.307 -0.100 18354
434 1 14 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.702 -0.081 18354
435 1 14 . 1 1 4 4 ARG H H 4 7.655 7.655 7.153 0.502 18354
436 1 14 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.198 -0.141 18354
437 1 14 . 1 1 5 5 CYS H H 5 7.635 7.635 7.597 0.038 18354
438 1 14 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.400 -0.141 18354
439 1 14 . 1 1 6 6 CYS H H 6 7.614 7.614 8.169 -0.555 18354
440 1 14 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.571 -0.287 18354
441 1 14 . 1 1 7 7 LEU H H 7 7.636 7.636 7.706 -0.070 18354
442 1 14 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.345 0.165 18354
443 1 14 . 1 1 8 8 ILE H H 8 7.756 7.756 7.511 0.245 18354
444 1 14 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.229 -0.270 18354
445 1 14 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.363 -0.444 18354
446 1 14 . 1 1 10 10 ALA H H 10 8.534 8.534 8.136 0.398 18354
447 1 14 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.652 -0.182 18354
448 1 14 . 1 1 11 11 CYS H H 11 7.321 7.321 7.820 -0.499 18354
449 1 14 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.129 -0.278 18354
450 1 14 . 1 1 12 12 ARG H H 12 8.933 8.933 8.722 0.211 18354
451 1 14 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.108 -0.153 18354
452 1 14 . 1 1 13 13 ARG H H 13 7.755 7.755 8.022 -0.267 18354
453 1 14 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.594 0.172 18354
454 1 14 . 1 1 14 14 ASN H H 14 7.171 7.171 7.613 -0.442 18354
455 1 14 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.978 -0.113 18354
456 1 14 . 1 1 15 15 HIS H H 15 7.815 7.815 7.680 0.135 18354
457 1 14 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.395 -0.618 18354
458 1 14 . 1 1 16 16 LYS H H 16 8.086 8.086 8.199 -0.113 18354
459 1 14 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.106 -0.186 18354
460 1 14 . 1 1 17 17 LYS H H 17 8.377 8.377 8.032 0.345 18354
461 1 14 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.387 -0.119 18354
462 1 14 . 1 1 18 18 PHE H H 18 7.704 7.704 7.933 -0.229 18354
463 1 15 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.744 -0.215 18354
464 1 15 . 1 1 2 2 ASN H H 2 7.684 7.684 7.663 0.021 18354
465 1 15 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.421 -0.209 18354
466 1 15 . 1 1 3 3 TRP H H 3 8.207 8.207 9.050 -0.843 18354
467 1 15 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.413 0.208 18354
468 1 15 . 1 1 4 4 ARG H H 4 7.655 7.655 7.618 0.037 18354
469 1 15 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.176 -0.119 18354
470 1 15 . 1 1 5 5 CYS H H 5 7.635 7.635 7.585 0.050 18354
471 1 15 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.388 -0.129 18354
472 1 15 . 1 1 6 6 CYS H H 6 7.614 7.614 7.788 -0.174 18354
473 1 15 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.426 -0.142 18354
474 1 15 . 1 1 7 7 LEU H H 7 7.636 7.636 7.589 0.047 18354
475 1 15 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.532 -0.022 18354
476 1 15 . 1 1 8 8 ILE H H 8 7.756 7.756 7.525 0.231 18354
477 1 15 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.180 -0.221 18354
478 1 15 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.223 -0.304 18354
479 1 15 . 1 1 10 10 ALA H H 10 8.534 8.534 8.441 0.093 18354
480 1 15 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.422 0.048 18354
481 1 15 . 1 1 11 11 CYS H H 11 7.321 7.321 7.988 -0.667 18354
482 1 15 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.220 -0.369 18354
483 1 15 . 1 1 12 12 ARG H H 12 8.933 8.933 8.598 0.335 18354
484 1 15 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.082 -0.127 18354
485 1 15 . 1 1 13 13 ARG H H 13 7.755 7.755 7.859 -0.104 18354
486 1 15 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.590 0.176 18354
487 1 15 . 1 1 14 14 ASN H H 14 7.171 7.171 7.640 -0.469 18354
488 1 15 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.062 -0.197 18354
489 1 15 . 1 1 15 15 HIS H H 15 7.815 7.815 7.981 -0.166 18354
490 1 15 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.127 -0.350 18354
491 1 15 . 1 1 16 16 LYS H H 16 8.086 8.086 8.428 -0.342 18354
492 1 15 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.043 -0.123 18354
493 1 15 . 1 1 17 17 LYS H H 17 8.377 8.377 8.150 0.227 18354
494 1 15 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.235 0.033 18354
495 1 15 . 1 1 18 18 PHE H H 18 7.704 7.704 7.987 -0.283 18354
496 1 16 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.503 0.026 18354
497 1 16 . 1 1 2 2 ASN H H 2 7.684 7.684 7.986 -0.302 18354
498 1 16 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.331 -0.119 18354
499 1 16 . 1 1 3 3 TRP H H 3 8.207 8.207 7.785 0.422 18354
500 1 16 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.804 -0.183 18354
501 1 16 . 1 1 4 4 ARG H H 4 7.655 7.655 7.202 0.453 18354
502 1 16 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.212 -0.155 18354
503 1 16 . 1 1 5 5 CYS H H 5 7.635 7.635 7.698 -0.063 18354
504 1 16 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.350 -0.091 18354
505 1 16 . 1 1 6 6 CYS H H 6 7.614 7.614 8.041 -0.427 18354
506 1 16 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.498 -0.214 18354
507 1 16 . 1 1 7 7 LEU H H 7 7.636 7.636 7.570 0.066 18354
508 1 16 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.393 0.117 18354
509 1 16 . 1 1 8 8 ILE H H 8 7.756 7.756 7.488 0.268 18354
510 1 16 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.210 -0.251 18354
511 1 16 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.269 -0.350 18354
512 1 16 . 1 1 10 10 ALA H H 10 8.534 8.534 8.446 0.088 18354
513 1 16 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.405 0.065 18354
514 1 16 . 1 1 11 11 CYS H H 11 7.321 7.321 7.970 -0.649 18354
515 1 16 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.128 -0.277 18354
516 1 16 . 1 1 12 12 ARG H H 12 8.933 8.933 8.700 0.233 18354
517 1 16 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.101 -0.146 18354
518 1 16 . 1 1 13 13 ARG H H 13 7.755 7.755 7.774 -0.019 18354
519 1 16 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.612 0.154 18354
520 1 16 . 1 1 14 14 ASN H H 14 7.171 7.171 7.720 -0.549 18354
521 1 16 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.202 -0.337 18354
522 1 16 . 1 1 15 15 HIS H H 15 7.815 7.815 8.011 -0.196 18354
523 1 16 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.203 -0.426 18354
524 1 16 . 1 1 16 16 LYS H H 16 8.086 8.086 8.407 -0.321 18354
525 1 16 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.035 -0.115 18354
526 1 16 . 1 1 17 17 LYS H H 17 8.377 8.377 8.088 0.289 18354
527 1 16 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.415 -0.147 18354
528 1 16 . 1 1 18 18 PHE H H 18 7.704 7.704 7.775 -0.071 18354
529 1 17 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.620 -0.091 18354
530 1 17 . 1 1 2 2 ASN H H 2 7.684 7.684 7.768 -0.084 18354
531 1 17 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.298 -0.086 18354
532 1 17 . 1 1 3 3 TRP H H 3 8.207 8.207 8.567 -0.360 18354
533 1 17 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.779 -0.158 18354
534 1 17 . 1 1 4 4 ARG H H 4 7.655 7.655 7.470 0.185 18354
535 1 17 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.273 -0.216 18354
536 1 17 . 1 1 5 5 CYS H H 5 7.635 7.635 7.722 -0.087 18354
537 1 17 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.342 -0.083 18354
538 1 17 . 1 1 6 6 CYS H H 6 7.614 7.614 8.013 -0.399 18354
539 1 17 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.521 -0.237 18354
540 1 17 . 1 1 7 7 LEU H H 7 7.636 7.636 7.608 0.028 18354
541 1 17 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.609 -0.098 18354
542 1 17 . 1 1 8 8 ILE H H 8 7.756 7.756 7.569 0.187 18354
543 1 17 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.179 -0.220 18354
544 1 17 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.199 -0.280 18354
545 1 17 . 1 1 10 10 ALA H H 10 8.534 8.534 8.354 0.180 18354
546 1 17 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.294 0.176 18354
547 1 17 . 1 1 11 11 CYS H H 11 7.321 7.321 7.789 -0.468 18354
548 1 17 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.178 -0.327 18354
549 1 17 . 1 1 12 12 ARG H H 12 8.933 8.933 8.597 0.336 18354
550 1 17 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.098 -0.143 18354
551 1 17 . 1 1 13 13 ARG H H 13 7.755 7.755 7.953 -0.198 18354
552 1 17 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.753 0.013 18354
553 1 17 . 1 1 14 14 ASN H H 14 7.171 7.171 7.747 -0.576 18354
554 1 17 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.048 -0.183 18354
555 1 17 . 1 1 15 15 HIS H H 15 7.815 7.815 7.684 0.131 18354
556 1 17 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.198 -0.421 18354
557 1 17 . 1 1 16 16 LYS H H 16 8.086 8.086 7.942 0.144 18354
558 1 17 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.166 -0.246 18354
559 1 17 . 1 1 17 17 LYS H H 17 8.377 8.377 8.151 0.226 18354
560 1 17 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.379 -0.111 18354
561 1 17 . 1 1 18 18 PHE H H 18 7.704 7.704 7.522 0.182 18354
562 1 18 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.465 0.064 18354
563 1 18 . 1 1 2 2 ASN H H 2 7.684 7.684 7.730 -0.046 18354
564 1 18 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.571 -0.359 18354
565 1 18 . 1 1 3 3 TRP H H 3 8.207 8.207 7.877 0.330 18354
566 1 18 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.849 -0.228 18354
567 1 18 . 1 1 4 4 ARG H H 4 7.655 7.655 7.276 0.379 18354
568 1 18 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.206 -0.149 18354
569 1 18 . 1 1 5 5 CYS H H 5 7.635 7.635 7.653 -0.018 18354
570 1 18 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.411 -0.152 18354
571 1 18 . 1 1 6 6 CYS H H 6 7.614 7.614 8.231 -0.617 18354
572 1 18 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.571 -0.287 18354
573 1 18 . 1 1 7 7 LEU H H 7 7.636 7.636 7.837 -0.201 18354
574 1 18 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.591 -0.081 18354
575 1 18 . 1 1 8 8 ILE H H 8 7.756 7.756 7.533 0.223 18354
576 1 18 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.280 -0.321 18354
577 1 18 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.427 -0.508 18354
578 1 18 . 1 1 10 10 ALA H H 10 8.534 8.534 8.150 0.384 18354
579 1 18 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.665 -0.195 18354
580 1 18 . 1 1 11 11 CYS H H 11 7.321 7.321 7.810 -0.489 18354
581 1 18 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.152 -0.301 18354
582 1 18 . 1 1 12 12 ARG H H 12 8.933 8.933 8.418 0.515 18354
583 1 18 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.170 -0.215 18354
584 1 18 . 1 1 13 13 ARG H H 13 7.755 7.755 8.249 -0.494 18354
585 1 18 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.580 0.186 18354
586 1 18 . 1 1 14 14 ASN H H 14 7.171 7.171 7.634 -0.463 18354
587 1 18 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.011 -0.146 18354
588 1 18 . 1 1 15 15 HIS H H 15 7.815 7.815 7.583 0.232 18354
589 1 18 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.258 -0.481 18354
590 1 18 . 1 1 16 16 LYS H H 16 8.086 8.086 7.981 0.105 18354
591 1 18 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.194 -0.275 18354
592 1 18 . 1 1 17 17 LYS H H 17 8.377 8.377 8.009 0.368 18354
593 1 18 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.374 -0.106 18354
594 1 18 . 1 1 18 18 PHE H H 18 7.704 7.704 7.596 0.108 18354
595 1 19 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.557 -0.028 18354
596 1 19 . 1 1 2 2 ASN H H 2 7.684 7.684 7.754 -0.070 18354
597 1 19 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.548 -0.336 18354
598 1 19 . 1 1 3 3 TRP H H 3 8.207 8.207 8.294 -0.087 18354
599 1 19 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.761 -0.140 18354
600 1 19 . 1 1 4 4 ARG H H 4 7.655 7.655 7.110 0.545 18354
601 1 19 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.226 -0.169 18354
602 1 19 . 1 1 5 5 CYS H H 5 7.635 7.635 7.670 -0.035 18354
603 1 19 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.363 -0.104 18354
604 1 19 . 1 1 6 6 CYS H H 6 7.614 7.614 8.138 -0.524 18354
605 1 19 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.476 -0.192 18354
606 1 19 . 1 1 7 7 LEU H H 7 7.636 7.636 7.731 -0.095 18354
607 1 19 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.556 -0.046 18354
608 1 19 . 1 1 8 8 ILE H H 8 7.756 7.756 7.613 0.143 18354
609 1 19 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.256 -0.297 18354
610 1 19 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.372 -0.453 18354
611 1 19 . 1 1 10 10 ALA H H 10 8.534 8.534 8.089 0.445 18354
612 1 19 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.414 0.056 18354
613 1 19 . 1 1 11 11 CYS H H 11 7.321 7.321 7.806 -0.485 18354
614 1 19 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.213 -0.362 18354
615 1 19 . 1 1 12 12 ARG H H 12 8.933 8.933 8.640 0.293 18354
616 1 19 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.080 -0.125 18354
617 1 19 . 1 1 13 13 ARG H H 13 7.755 7.755 8.208 -0.453 18354
618 1 19 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.752 0.014 18354
619 1 19 . 1 1 14 14 ASN H H 14 7.171 7.171 7.809 -0.638 18354
620 1 19 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.254 -0.389 18354
621 1 19 . 1 1 15 15 HIS H H 15 7.815 7.815 7.654 0.161 18354
622 1 19 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.153 -0.376 18354
623 1 19 . 1 1 16 16 LYS H H 16 8.086 8.086 7.764 0.322 18354
624 1 19 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.129 -0.209 18354
625 1 19 . 1 1 17 17 LYS H H 17 8.377 8.377 8.224 0.153 18354
626 1 19 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.290 -0.022 18354
627 1 19 . 1 1 18 18 PHE H H 18 7.704 7.704 7.638 0.066 18354
628 1 20 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.595 -0.066 18354
629 1 20 . 1 1 2 2 ASN H H 2 7.684 7.684 7.599 0.085 18354
630 1 20 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.580 -0.368 18354
631 1 20 . 1 1 3 3 TRP H H 3 8.207 8.207 8.491 -0.284 18354
632 1 20 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.616 0.005 18354
633 1 20 . 1 1 4 4 ARG H H 4 7.655 7.655 7.184 0.471 18354
634 1 20 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.183 -0.126 18354
635 1 20 . 1 1 5 5 CYS H H 5 7.635 7.635 7.614 0.021 18354
636 1 20 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.372 -0.113 18354
637 1 20 . 1 1 6 6 CYS H H 6 7.614 7.614 8.148 -0.534 18354
638 1 20 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.516 -0.232 18354
639 1 20 . 1 1 7 7 LEU H H 7 7.636 7.636 7.779 -0.143 18354
640 1 20 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.486 0.024 18354
641 1 20 . 1 1 8 8 ILE H H 8 7.756 7.756 7.491 0.265 18354
642 1 20 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.184 -0.225 18354
643 1 20 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.258 -0.339 18354
644 1 20 . 1 1 10 10 ALA H H 10 8.534 8.534 8.334 0.200 18354
645 1 20 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.421 0.049 18354
646 1 20 . 1 1 11 11 CYS H H 11 7.321 7.321 7.853 -0.532 18354
647 1 20 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.184 -0.333 18354
648 1 20 . 1 1 12 12 ARG H H 12 8.933 8.933 8.601 0.332 18354
649 1 20 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.128 -0.173 18354
650 1 20 . 1 1 13 13 ARG H H 13 7.755 7.755 7.848 -0.093 18354
651 1 20 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.597 0.169 18354
652 1 20 . 1 1 14 14 ASN H H 14 7.171 7.171 7.683 -0.512 18354
653 1 20 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.988 -0.123 18354
654 1 20 . 1 1 15 15 HIS H H 15 7.815 7.815 7.975 -0.160 18354
655 1 20 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.314 -0.537 18354
656 1 20 . 1 1 16 16 LYS H H 16 8.086 8.086 8.253 -0.167 18354
657 1 20 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.200 -0.280 18354
658 1 20 . 1 1 17 17 LYS H H 17 8.377 8.377 7.939 0.438 18354
659 1 20 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.311 -0.043 18354
660 1 20 . 1 1 18 18 PHE H H 18 7.704 7.704 7.630 0.074 18354
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 18354
2 1 1 "Average Difference" HA 17 0.227 0.151 0.175 18354
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18354
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18354
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18354
6 1 1 "Average Difference" HN 16 0.307 0.045 0.314 18354
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18354
8 1 2 "Average Difference" HA 17 0.219 0.147 0.168 18354
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18354
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18354
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18354
12 1 2 "Average Difference" HN 16 0.293 0.006 0.303 18354
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18354
14 1 3 "Average Difference" HA 17 0.236 0.169 0.171 18354
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18354
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18354
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18354
18 1 3 "Average Difference" HN 16 0.360 0.082 0.361 18354
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18354
20 1 4 "Average Difference" HA 17 0.259 0.194 0.177 18354
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18354
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18354
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18354
24 1 4 "Average Difference" HN 16 0.331 0.035 0.340 18354
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18354
26 1 5 "Average Difference" HA 17 0.258 0.172 0.198 18354
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18354
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18354
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18354
30 1 5 "Average Difference" HN 16 0.415 0.174 0.389 18354
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18354
32 1 6 "Average Difference" HA 17 0.219 0.159 0.156 18354
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18354
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18354
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18354
36 1 6 "Average Difference" HN 16 0.342 0.059 0.348 18354
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18354
38 1 7 "Average Difference" HA 17 0.219 0.167 0.146 18354
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18354
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18354
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18354
42 1 7 "Average Difference" HN 16 0.309 0.048 0.316 18354
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18354
44 1 8 "Average Difference" HA 17 0.215 0.138 0.170 18354
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18354
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18354
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18354
48 1 8 "Average Difference" HN 16 0.300 0.019 0.310 18354
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18354
50 1 9 "Average Difference" HA 17 0.215 0.140 0.168 18354
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18354
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18354
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18354
54 1 9 "Average Difference" HN 16 0.300 0.015 0.309 18354
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18354
56 1 10 "Average Difference" HA 17 0.221 0.167 0.148 18354
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18354
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18354
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18354
60 1 10 "Average Difference" HN 16 0.356 0.033 0.366 18354
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18354
62 1 11 "Average Difference" HA 17 0.231 0.158 0.174 18354
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18354
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18354
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18354
66 1 11 "Average Difference" HN 16 0.292 0.011 0.302 18354
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18354
68 1 12 "Average Difference" HA 17 0.228 0.174 0.152 18354
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18354
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18354
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18354
72 1 12 "Average Difference" HN 16 0.322 0.063 0.326 18354
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18354
74 1 13 "Average Difference" HA 17 0.235 0.168 0.169 18354
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18354
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18354
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18354
78 1 13 "Average Difference" HN 16 0.350 0.085 0.351 18354
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18354
80 1 14 "Average Difference" HA 17 0.254 0.174 0.190 18354
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18354
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18354
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18354
84 1 14 "Average Difference" HN 16 0.313 0.032 0.322 18354
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18354
86 1 15 "Average Difference" HA 17 0.201 0.121 0.166 18354
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18354
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18354
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18354
90 1 15 "Average Difference" HN 16 0.342 0.125 0.329 18354
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18354
92 1 16 "Average Difference" HA 17 0.214 0.144 0.164 18354
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18354
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18354
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18354
96 1 16 "Average Difference" HN 16 0.331 0.049 0.338 18354
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18354
98 1 17 "Average Difference" HA 17 0.207 0.159 0.136 18354
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18354
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18354
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18354
102 1 17 "Average Difference" HN 16 0.277 0.036 0.284 18354
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18354
104 1 18 "Average Difference" HA 17 0.269 0.209 0.174 18354
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18354
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18354
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18354
108 1 18 "Average Difference" HN 16 0.358 -0.020 0.369 18354
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18354
110 1 19 "Average Difference" HA 17 0.242 0.187 0.158 18354
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18354
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18354
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18354
114 1 19 "Average Difference" HN 16 0.345 0.016 0.356 18354
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18354
116 1 20 "Average Difference" HA 17 0.236 0.159 0.179 18354
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18354
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18354
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18354
120 1 20 "Average Difference" HN 16 0.320 0.034 0.329 18354
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 18354
_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 ASN HA H 2 4.529 4.529 4.576 -0.047 18354
2 1 . 1 1 2 2 ASN H H 2 7.684 7.684 7.835 -0.151 18354
3 1 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.522 -0.310 18354
4 1 . 1 1 3 3 TRP H H 3 8.207 8.207 8.319 -0.112 18354
5 1 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.753 -0.132 18354
6 1 . 1 1 4 4 ARG H H 4 7.655 7.655 7.273 0.382 18354
7 1 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.210 -0.153 18354
8 1 . 1 1 5 5 CYS H H 5 7.635 7.635 7.669 -0.034 18354
9 1 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.366 -0.107 18354
10 1 . 1 1 6 6 CYS H H 6 7.614 7.614 8.120 -0.506 18354
11 1 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.501 -0.217 18354
12 1 . 1 1 7 7 LEU H H 7 7.636 7.636 7.703 -0.067 18354
13 1 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.503 0.007 18354
14 1 . 1 1 8 8 ILE H H 8 7.756 7.756 7.539 0.217 18354
15 1 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.202 -0.243 18354
16 1 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.285 -0.367 18354
17 1 . 1 1 10 10 ALA H H 10 8.534 8.534 8.295 0.239 18354
18 1 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.433 0.037 18354
19 1 . 1 1 11 11 CYS H H 11 7.321 7.321 7.860 -0.539 18354
20 1 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.164 -0.313 18354
21 1 . 1 1 12 12 ARG H H 12 8.933 8.933 8.618 0.315 18354
22 1 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.123 -0.168 18354
23 1 . 1 1 13 13 ARG H H 13 7.755 7.755 7.935 -0.180 18354
24 1 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.643 0.123 18354
25 1 . 1 1 14 14 ASN H H 14 7.171 7.171 7.655 -0.484 18354
26 1 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.057 -0.192 18354
27 1 . 1 1 15 15 HIS H H 15 7.815 7.815 7.909 -0.094 18354
28 1 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.229 -0.452 18354
29 1 . 1 1 16 16 LYS H H 16 8.086 8.086 8.139 -0.053 18354
30 1 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.118 -0.198 18354
31 1 . 1 1 17 17 LYS H H 17 8.377 8.377 8.098 0.279 18354
32 1 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.303 -0.035 18354
33 1 . 1 1 18 18 PHE H H 18 7.704 7.704 7.674 0.030 18354
stop_
save_