data_18085
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18085
_Entry.PDB_ID 2LLR
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 18085
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLY H H 2 8.662 8.662 8.194 0.468 18085
2 1 1 . 1 1 3 3 CYS HA H 3 5.768 5.768 5.153 0.615 18085
3 1 1 . 1 1 3 3 CYS H H 3 8.580 8.580 7.923 0.657 18085
4 1 1 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.774 0.076 18085
5 1 1 . 1 1 4 4 TYR H H 4 9.060 9.060 9.241 -0.181 18085
6 1 1 . 1 1 5 5 THR HA H 5 4.845 4.845 4.544 0.301 18085
7 1 1 . 1 1 5 5 THR H H 5 8.898 8.898 8.398 0.500 18085
8 1 1 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.782 -0.050 18085
9 1 1 . 1 1 6 6 ARG H H 6 8.992 8.992 8.760 0.232 18085
10 1 1 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.501 0.367 18085
11 1 1 . 1 1 7 7 CYS H H 7 8.757 8.757 8.788 -0.031 18085
12 1 1 . 1 1 8 8 TRP H H 8 9.228 9.228 9.025 0.203 18085
13 1 1 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.170 0.420 18085
14 1 1 . 1 1 9 9 LYS H H 9 8.522 8.522 8.461 0.061 18085
15 1 1 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.348 -0.054 18085
16 1 1 . 1 1 10 10 VAL H H 10 7.751 7.751 7.861 -0.110 18085
17 1 1 . 1 1 11 11 GLY H H 11 8.714 8.714 8.413 0.301 18085
18 1 1 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.443 -0.312 18085
19 1 1 . 1 1 12 12 ARG H H 12 8.686 8.686 8.331 0.355 18085
20 1 1 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.775 0.080 18085
21 1 1 . 1 1 13 13 ASN H H 13 8.479 8.479 8.521 -0.042 18085
22 1 1 . 1 1 14 14 GLY H H 14 7.867 7.867 7.933 -0.066 18085
23 1 1 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.487 0.479 18085
24 1 1 . 1 1 15 15 ARG H H 15 8.499 8.499 8.151 0.348 18085
25 1 1 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.093 0.036 18085
26 1 1 . 1 1 16 16 VAL H H 16 8.532 8.532 7.856 0.676 18085
27 1 1 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.125 0.401 18085
28 1 1 . 1 1 17 17 CYS H H 17 8.256 8.256 8.538 -0.282 18085
29 1 1 . 1 1 18 18 MET HA H 18 4.705 4.705 5.135 -0.430 18085
30 1 1 . 1 1 18 18 MET H H 18 9.331 9.331 9.412 -0.081 18085
31 1 1 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.750 -0.035 18085
32 1 1 . 1 1 19 19 ARG H H 19 8.690 8.690 8.376 0.314 18085
33 1 1 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.031 0.146 18085
34 1 1 . 1 1 20 20 VAL H H 20 9.096 9.096 8.423 0.673 18085
35 1 1 . 1 1 21 21 CYS HA H 21 5.397 5.397 5.037 0.360 18085
36 1 1 . 1 1 21 21 CYS H H 21 8.801 8.801 8.514 0.287 18085
37 1 2 . 1 1 2 2 GLY H H 2 8.662 8.662 8.304 0.358 18085
38 1 2 . 1 1 3 3 CYS HA H 3 5.768 5.768 5.034 0.734 18085
39 1 2 . 1 1 3 3 CYS H H 3 8.580 8.580 8.181 0.399 18085
40 1 2 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.896 -0.046 18085
41 1 2 . 1 1 4 4 TYR H H 4 9.060 9.060 8.938 0.122 18085
42 1 2 . 1 1 5 5 THR HA H 5 4.845 4.845 4.778 0.067 18085
43 1 2 . 1 1 5 5 THR H H 5 8.898 8.898 8.445 0.453 18085
44 1 2 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.862 -0.130 18085
45 1 2 . 1 1 6 6 ARG H H 6 8.992 8.992 8.666 0.326 18085
46 1 2 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.534 0.334 18085
47 1 2 . 1 1 7 7 CYS H H 7 8.757 8.757 8.760 -0.003 18085
48 1 2 . 1 1 8 8 TRP H H 8 9.228 9.228 8.422 0.806 18085
49 1 2 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.319 0.271 18085
50 1 2 . 1 1 9 9 LYS H H 9 8.522 8.522 8.427 0.095 18085
51 1 2 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.290 0.004 18085
52 1 2 . 1 1 10 10 VAL H H 10 7.751 7.751 7.802 -0.051 18085
53 1 2 . 1 1 11 11 GLY H H 11 8.714 8.714 8.290 0.424 18085
54 1 2 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.146 -0.015 18085
55 1 2 . 1 1 12 12 ARG H H 12 8.686 8.686 8.404 0.282 18085
56 1 2 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.699 0.156 18085
57 1 2 . 1 1 13 13 ASN H H 13 8.479 8.479 8.507 -0.028 18085
58 1 2 . 1 1 14 14 GLY H H 14 7.867 7.867 8.310 -0.443 18085
59 1 2 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.256 0.710 18085
60 1 2 . 1 1 15 15 ARG H H 15 8.499 8.499 8.197 0.302 18085
61 1 2 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.175 -0.046 18085
62 1 2 . 1 1 16 16 VAL H H 16 8.532 8.532 8.002 0.530 18085
63 1 2 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.125 0.401 18085
64 1 2 . 1 1 17 17 CYS H H 17 8.256 8.256 8.368 -0.112 18085
65 1 2 . 1 1 18 18 MET HA H 18 4.705 4.705 5.132 -0.427 18085
66 1 2 . 1 1 18 18 MET H H 18 9.331 9.331 9.565 -0.234 18085
67 1 2 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.387 0.328 18085
68 1 2 . 1 1 19 19 ARG H H 19 8.690 8.690 8.642 0.048 18085
69 1 2 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.230 -0.053 18085
70 1 2 . 1 1 20 20 VAL H H 20 9.096 9.096 8.188 0.908 18085
71 1 2 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.692 0.705 18085
72 1 2 . 1 1 21 21 CYS H H 21 8.801 8.801 8.734 0.067 18085
73 1 3 . 1 1 2 2 GLY H H 2 8.662 8.662 8.273 0.389 18085
74 1 3 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.732 1.036 18085
75 1 3 . 1 1 3 3 CYS H H 3 8.580 8.580 8.203 0.377 18085
76 1 3 . 1 1 4 4 TYR HA H 4 4.850 4.850 5.023 -0.173 18085
77 1 3 . 1 1 4 4 TYR H H 4 9.060 9.060 8.396 0.664 18085
78 1 3 . 1 1 5 5 THR HA H 5 4.845 4.845 4.317 0.528 18085
79 1 3 . 1 1 5 5 THR H H 5 8.898 8.898 8.442 0.456 18085
80 1 3 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.899 -0.167 18085
81 1 3 . 1 1 6 6 ARG H H 6 8.992 8.992 9.077 -0.085 18085
82 1 3 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.522 0.346 18085
83 1 3 . 1 1 7 7 CYS H H 7 8.757 8.757 8.781 -0.024 18085
84 1 3 . 1 1 8 8 TRP H H 8 9.228 9.228 8.698 0.530 18085
85 1 3 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.209 0.381 18085
86 1 3 . 1 1 9 9 LYS H H 9 8.522 8.522 8.389 0.133 18085
87 1 3 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.267 0.027 18085
88 1 3 . 1 1 10 10 VAL H H 10 7.751 7.751 8.209 -0.458 18085
89 1 3 . 1 1 11 11 GLY H H 11 8.714 8.714 8.359 0.355 18085
90 1 3 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.119 0.012 18085
91 1 3 . 1 1 12 12 ARG H H 12 8.686 8.686 8.368 0.318 18085
92 1 3 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.724 0.131 18085
93 1 3 . 1 1 13 13 ASN H H 13 8.479 8.479 8.406 0.073 18085
94 1 3 . 1 1 14 14 GLY H H 14 7.867 7.867 8.242 -0.375 18085
95 1 3 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.178 0.788 18085
96 1 3 . 1 1 15 15 ARG H H 15 8.499 8.499 8.207 0.292 18085
97 1 3 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.180 -0.051 18085
98 1 3 . 1 1 16 16 VAL H H 16 8.532 8.532 8.077 0.455 18085
99 1 3 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.138 0.388 18085
100 1 3 . 1 1 17 17 CYS H H 17 8.256 8.256 8.331 -0.075 18085
101 1 3 . 1 1 18 18 MET HA H 18 4.705 4.705 5.046 -0.341 18085
102 1 3 . 1 1 18 18 MET H H 18 9.331 9.331 9.586 -0.255 18085
103 1 3 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.375 0.340 18085
104 1 3 . 1 1 19 19 ARG H H 19 8.690 8.690 8.586 0.104 18085
105 1 3 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.959 0.218 18085
106 1 3 . 1 1 20 20 VAL H H 20 9.096 9.096 7.763 1.333 18085
107 1 3 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.523 0.874 18085
108 1 3 . 1 1 21 21 CYS H H 21 8.801 8.801 8.372 0.429 18085
109 1 4 . 1 1 2 2 GLY H H 2 8.662 8.662 8.396 0.266 18085
110 1 4 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.498 1.270 18085
111 1 4 . 1 1 3 3 CYS H H 3 8.580 8.580 7.992 0.588 18085
112 1 4 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.694 0.156 18085
113 1 4 . 1 1 4 4 TYR H H 4 9.060 9.060 8.580 0.480 18085
114 1 4 . 1 1 5 5 THR HA H 5 4.845 4.845 4.521 0.324 18085
115 1 4 . 1 1 5 5 THR H H 5 8.898 8.898 8.420 0.478 18085
116 1 4 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.833 -0.101 18085
117 1 4 . 1 1 6 6 ARG H H 6 8.992 8.992 8.763 0.229 18085
118 1 4 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.253 0.615 18085
119 1 4 . 1 1 7 7 CYS H H 7 8.757 8.757 8.578 0.179 18085
120 1 4 . 1 1 8 8 TRP H H 8 9.228 9.228 8.611 0.617 18085
121 1 4 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.300 0.290 18085
122 1 4 . 1 1 9 9 LYS H H 9 8.522 8.522 8.399 0.123 18085
123 1 4 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.341 -0.047 18085
124 1 4 . 1 1 10 10 VAL H H 10 7.751 7.751 8.173 -0.422 18085
125 1 4 . 1 1 11 11 GLY H H 11 8.714 8.714 8.340 0.374 18085
126 1 4 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.131 -0.000 18085
127 1 4 . 1 1 12 12 ARG H H 12 8.686 8.686 8.449 0.237 18085
128 1 4 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.720 0.135 18085
129 1 4 . 1 1 13 13 ASN H H 13 8.479 8.479 8.391 0.088 18085
130 1 4 . 1 1 14 14 GLY H H 14 7.867 7.867 8.292 -0.425 18085
131 1 4 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.282 0.684 18085
132 1 4 . 1 1 15 15 ARG H H 15 8.499 8.499 8.205 0.294 18085
133 1 4 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.153 -0.024 18085
134 1 4 . 1 1 16 16 VAL H H 16 8.532 8.532 7.819 0.713 18085
135 1 4 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.064 0.462 18085
136 1 4 . 1 1 17 17 CYS H H 17 8.256 8.256 8.332 -0.076 18085
137 1 4 . 1 1 18 18 MET HA H 18 4.705 4.705 5.012 -0.307 18085
138 1 4 . 1 1 18 18 MET H H 18 9.331 9.331 8.626 0.705 18085
139 1 4 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.755 -0.040 18085
140 1 4 . 1 1 19 19 ARG H H 19 8.690 8.690 8.442 0.248 18085
141 1 4 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.131 0.046 18085
142 1 4 . 1 1 20 20 VAL H H 20 9.096 9.096 8.284 0.812 18085
143 1 4 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.665 0.732 18085
144 1 4 . 1 1 21 21 CYS H H 21 8.801 8.801 8.548 0.253 18085
145 1 5 . 1 1 2 2 GLY H H 2 8.662 8.662 8.173 0.489 18085
146 1 5 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.409 1.359 18085
147 1 5 . 1 1 3 3 CYS H H 3 8.580 8.580 8.031 0.549 18085
148 1 5 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.260 0.590 18085
149 1 5 . 1 1 4 4 TYR H H 4 9.060 9.060 8.223 0.837 18085
150 1 5 . 1 1 5 5 THR HA H 5 4.845 4.845 4.424 0.421 18085
151 1 5 . 1 1 5 5 THR H H 5 8.898 8.898 8.551 0.347 18085
152 1 5 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.857 -0.125 18085
153 1 5 . 1 1 6 6 ARG H H 6 8.992 8.992 8.240 0.752 18085
154 1 5 . 1 1 7 7 CYS HA H 7 5.868 5.868 4.922 0.946 18085
155 1 5 . 1 1 7 7 CYS H H 7 8.757 8.757 8.905 -0.148 18085
156 1 5 . 1 1 8 8 TRP H H 8 9.228 9.228 8.452 0.776 18085
157 1 5 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.550 0.040 18085
158 1 5 . 1 1 9 9 LYS H H 9 8.522 8.522 8.724 -0.202 18085
159 1 5 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.494 -0.200 18085
160 1 5 . 1 1 10 10 VAL H H 10 7.751 7.751 8.321 -0.570 18085
161 1 5 . 1 1 11 11 GLY H H 11 8.714 8.714 8.436 0.278 18085
162 1 5 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.464 -0.333 18085
163 1 5 . 1 1 12 12 ARG H H 12 8.686 8.686 8.412 0.274 18085
164 1 5 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.768 0.087 18085
165 1 5 . 1 1 13 13 ASN H H 13 8.479 8.479 8.381 0.098 18085
166 1 5 . 1 1 14 14 GLY H H 14 7.867 7.867 7.829 0.038 18085
167 1 5 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.482 0.484 18085
168 1 5 . 1 1 15 15 ARG H H 15 8.499 8.499 8.176 0.323 18085
169 1 5 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.094 0.035 18085
170 1 5 . 1 1 16 16 VAL H H 16 8.532 8.532 8.297 0.235 18085
171 1 5 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.595 0.931 18085
172 1 5 . 1 1 17 17 CYS H H 17 8.256 8.256 8.409 -0.153 18085
173 1 5 . 1 1 18 18 MET HA H 18 4.705 4.705 4.664 0.041 18085
174 1 5 . 1 1 18 18 MET H H 18 9.331 9.331 8.858 0.473 18085
175 1 5 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.250 0.465 18085
176 1 5 . 1 1 19 19 ARG H H 19 8.690 8.690 8.468 0.222 18085
177 1 5 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.887 0.290 18085
178 1 5 . 1 1 20 20 VAL H H 20 9.096 9.096 8.333 0.763 18085
179 1 5 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.149 1.248 18085
180 1 5 . 1 1 21 21 CYS H H 21 8.801 8.801 8.187 0.614 18085
181 1 6 . 1 1 2 2 GLY H H 2 8.662 8.662 8.294 0.368 18085
182 1 6 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.618 1.150 18085
183 1 6 . 1 1 3 3 CYS H H 3 8.580 8.580 8.218 0.362 18085
184 1 6 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.988 -0.138 18085
185 1 6 . 1 1 4 4 TYR H H 4 9.060 9.060 8.436 0.624 18085
186 1 6 . 1 1 5 5 THR HA H 5 4.845 4.845 4.544 0.301 18085
187 1 6 . 1 1 5 5 THR H H 5 8.898 8.898 8.363 0.535 18085
188 1 6 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.928 -0.196 18085
189 1 6 . 1 1 6 6 ARG H H 6 8.992 8.992 8.786 0.206 18085
190 1 6 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.400 0.468 18085
191 1 6 . 1 1 7 7 CYS H H 7 8.757 8.757 8.831 -0.074 18085
192 1 6 . 1 1 8 8 TRP H H 8 9.228 9.228 8.574 0.654 18085
193 1 6 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.280 0.310 18085
194 1 6 . 1 1 9 9 LYS H H 9 8.522 8.522 8.391 0.131 18085
195 1 6 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.329 -0.035 18085
196 1 6 . 1 1 10 10 VAL H H 10 7.751 7.751 7.862 -0.111 18085
197 1 6 . 1 1 11 11 GLY H H 11 8.714 8.714 8.446 0.268 18085
198 1 6 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.413 -0.282 18085
199 1 6 . 1 1 12 12 ARG H H 12 8.686 8.686 8.283 0.403 18085
200 1 6 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.792 0.063 18085
201 1 6 . 1 1 13 13 ASN H H 13 8.479 8.479 8.518 -0.039 18085
202 1 6 . 1 1 14 14 GLY H H 14 7.867 7.867 8.017 -0.150 18085
203 1 6 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.403 0.563 18085
204 1 6 . 1 1 15 15 ARG H H 15 8.499 8.499 8.169 0.330 18085
205 1 6 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.145 -0.016 18085
206 1 6 . 1 1 16 16 VAL H H 16 8.532 8.532 7.916 0.616 18085
207 1 6 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.767 0.759 18085
208 1 6 . 1 1 17 17 CYS H H 17 8.256 8.256 8.252 0.004 18085
209 1 6 . 1 1 18 18 MET HA H 18 4.705 4.705 5.133 -0.428 18085
210 1 6 . 1 1 18 18 MET H H 18 9.331 9.331 9.557 -0.226 18085
211 1 6 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.506 0.209 18085
212 1 6 . 1 1 19 19 ARG H H 19 8.690 8.690 8.489 0.201 18085
213 1 6 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.996 0.181 18085
214 1 6 . 1 1 20 20 VAL H H 20 9.096 9.096 7.856 1.240 18085
215 1 6 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.522 0.875 18085
216 1 6 . 1 1 21 21 CYS H H 21 8.801 8.801 8.461 0.340 18085
217 1 7 . 1 1 2 2 GLY H H 2 8.662 8.662 8.236 0.426 18085
218 1 7 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.200 1.568 18085
219 1 7 . 1 1 3 3 CYS H H 3 8.580 8.580 7.979 0.601 18085
220 1 7 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.782 0.068 18085
221 1 7 . 1 1 4 4 TYR H H 4 9.060 9.060 9.027 0.033 18085
222 1 7 . 1 1 5 5 THR HA H 5 4.845 4.845 4.540 0.305 18085
223 1 7 . 1 1 5 5 THR H H 5 8.898 8.898 8.558 0.340 18085
224 1 7 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.804 -0.072 18085
225 1 7 . 1 1 6 6 ARG H H 6 8.992 8.992 8.382 0.610 18085
226 1 7 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.086 0.782 18085
227 1 7 . 1 1 7 7 CYS H H 7 8.757 8.757 8.557 0.200 18085
228 1 7 . 1 1 8 8 TRP H H 8 9.228 9.228 8.338 0.890 18085
229 1 7 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.339 0.251 18085
230 1 7 . 1 1 9 9 LYS H H 9 8.522 8.522 8.300 0.222 18085
231 1 7 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.454 -0.160 18085
232 1 7 . 1 1 10 10 VAL H H 10 7.751 7.751 8.295 -0.544 18085
233 1 7 . 1 1 11 11 GLY H H 11 8.714 8.714 8.362 0.352 18085
234 1 7 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.136 -0.005 18085
235 1 7 . 1 1 12 12 ARG H H 12 8.686 8.686 8.305 0.381 18085
236 1 7 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.715 0.140 18085
237 1 7 . 1 1 13 13 ASN H H 13 8.479 8.479 8.480 -0.001 18085
238 1 7 . 1 1 14 14 GLY H H 14 7.867 7.867 8.337 -0.470 18085
239 1 7 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.281 0.685 18085
240 1 7 . 1 1 15 15 ARG H H 15 8.499 8.499 8.222 0.277 18085
241 1 7 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.012 0.117 18085
242 1 7 . 1 1 16 16 VAL H H 16 8.532 8.532 7.741 0.791 18085
243 1 7 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.912 0.614 18085
244 1 7 . 1 1 17 17 CYS H H 17 8.256 8.256 8.374 -0.118 18085
245 1 7 . 1 1 18 18 MET HA H 18 4.705 4.705 4.726 -0.021 18085
246 1 7 . 1 1 18 18 MET H H 18 9.331 9.331 8.492 0.840 18085
247 1 7 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.568 0.147 18085
248 1 7 . 1 1 19 19 ARG H H 19 8.690 8.690 8.461 0.229 18085
249 1 7 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.186 -0.009 18085
250 1 7 . 1 1 20 20 VAL H H 20 9.096 9.096 8.250 0.846 18085
251 1 7 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.746 0.651 18085
252 1 7 . 1 1 21 21 CYS H H 21 8.801 8.801 8.616 0.185 18085
253 1 8 . 1 1 2 2 GLY H H 2 8.662 8.662 8.124 0.538 18085
254 1 8 . 1 1 3 3 CYS HA H 3 5.768 5.768 3.865 1.903 18085
255 1 8 . 1 1 3 3 CYS H H 3 8.580 8.580 8.159 0.421 18085
256 1 8 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.698 0.152 18085
257 1 8 . 1 1 4 4 TYR H H 4 9.060 9.060 7.816 1.244 18085
258 1 8 . 1 1 5 5 THR HA H 5 4.845 4.845 4.451 0.394 18085
259 1 8 . 1 1 5 5 THR H H 5 8.898 8.898 8.551 0.347 18085
260 1 8 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.801 -0.069 18085
261 1 8 . 1 1 6 6 ARG H H 6 8.992 8.992 8.367 0.625 18085
262 1 8 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.290 0.578 18085
263 1 8 . 1 1 7 7 CYS H H 7 8.757 8.757 8.666 0.091 18085
264 1 8 . 1 1 8 8 TRP H H 8 9.228 9.228 8.559 0.669 18085
265 1 8 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.333 0.257 18085
266 1 8 . 1 1 9 9 LYS H H 9 8.522 8.522 8.414 0.108 18085
267 1 8 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.449 -0.155 18085
268 1 8 . 1 1 10 10 VAL H H 10 7.751 7.751 8.346 -0.595 18085
269 1 8 . 1 1 11 11 GLY H H 11 8.714 8.714 8.289 0.425 18085
270 1 8 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.140 -0.009 18085
271 1 8 . 1 1 12 12 ARG H H 12 8.686 8.686 8.335 0.351 18085
272 1 8 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.713 0.142 18085
273 1 8 . 1 1 13 13 ASN H H 13 8.479 8.479 8.456 0.023 18085
274 1 8 . 1 1 14 14 GLY H H 14 7.867 7.867 8.278 -0.411 18085
275 1 8 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.305 0.661 18085
276 1 8 . 1 1 15 15 ARG H H 15 8.499 8.499 8.233 0.266 18085
277 1 8 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.023 0.106 18085
278 1 8 . 1 1 16 16 VAL H H 16 8.532 8.532 7.756 0.776 18085
279 1 8 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.900 0.626 18085
280 1 8 . 1 1 17 17 CYS H H 17 8.256 8.256 8.533 -0.277 18085
281 1 8 . 1 1 18 18 MET HA H 18 4.705 4.705 4.913 -0.208 18085
282 1 8 . 1 1 18 18 MET H H 18 9.331 9.331 9.102 0.229 18085
283 1 8 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.403 0.312 18085
284 1 8 . 1 1 19 19 ARG H H 19 8.690 8.690 8.466 0.224 18085
285 1 8 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.030 0.147 18085
286 1 8 . 1 1 20 20 VAL H H 20 9.096 9.096 7.926 1.170 18085
287 1 8 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.307 1.090 18085
288 1 8 . 1 1 21 21 CYS H H 21 8.801 8.801 8.374 0.427 18085
289 1 9 . 1 1 2 2 GLY H H 2 8.662 8.662 8.260 0.402 18085
290 1 9 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.354 1.414 18085
291 1 9 . 1 1 3 3 CYS H H 3 8.580 8.580 8.089 0.491 18085
292 1 9 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.865 -0.015 18085
293 1 9 . 1 1 4 4 TYR H H 4 9.060 9.060 7.891 1.169 18085
294 1 9 . 1 1 5 5 THR HA H 5 4.845 4.845 4.561 0.284 18085
295 1 9 . 1 1 5 5 THR H H 5 8.898 8.898 8.435 0.463 18085
296 1 9 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.858 -0.126 18085
297 1 9 . 1 1 6 6 ARG H H 6 8.992 8.992 8.602 0.390 18085
298 1 9 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.234 0.634 18085
299 1 9 . 1 1 7 7 CYS H H 7 8.757 8.757 8.807 -0.050 18085
300 1 9 . 1 1 8 8 TRP H H 8 9.228 9.228 8.979 0.249 18085
301 1 9 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.157 0.433 18085
302 1 9 . 1 1 9 9 LYS H H 9 8.522 8.522 8.553 -0.031 18085
303 1 9 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.381 -0.087 18085
304 1 9 . 1 1 10 10 VAL H H 10 7.751 7.751 7.875 -0.124 18085
305 1 9 . 1 1 11 11 GLY H H 11 8.714 8.714 8.553 0.161 18085
306 1 9 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.476 -0.345 18085
307 1 9 . 1 1 12 12 ARG H H 12 8.686 8.686 8.377 0.309 18085
308 1 9 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.798 0.057 18085
309 1 9 . 1 1 13 13 ASN H H 13 8.479 8.479 8.486 -0.007 18085
310 1 9 . 1 1 14 14 GLY H H 14 7.867 7.867 8.003 -0.136 18085
311 1 9 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.491 0.475 18085
312 1 9 . 1 1 15 15 ARG H H 15 8.499 8.499 8.261 0.238 18085
313 1 9 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.327 -0.198 18085
314 1 9 . 1 1 16 16 VAL H H 16 8.532 8.532 8.044 0.488 18085
315 1 9 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.890 0.636 18085
316 1 9 . 1 1 17 17 CYS H H 17 8.256 8.256 8.234 0.022 18085
317 1 9 . 1 1 18 18 MET HA H 18 4.705 4.705 4.813 -0.108 18085
318 1 9 . 1 1 18 18 MET H H 18 9.331 9.331 9.281 0.050 18085
319 1 9 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.601 0.114 18085
320 1 9 . 1 1 19 19 ARG H H 19 8.690 8.690 8.631 0.059 18085
321 1 9 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.026 0.151 18085
322 1 9 . 1 1 20 20 VAL H H 20 9.096 9.096 7.875 1.221 18085
323 1 9 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.286 1.111 18085
324 1 9 . 1 1 21 21 CYS H H 21 8.801 8.801 8.585 0.216 18085
325 1 10 . 1 1 2 2 GLY H H 2 8.662 8.662 8.448 0.214 18085
326 1 10 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.604 1.164 18085
327 1 10 . 1 1 3 3 CYS H H 3 8.580 8.580 8.443 0.137 18085
328 1 10 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.276 0.574 18085
329 1 10 . 1 1 4 4 TYR H H 4 9.060 9.060 8.556 0.504 18085
330 1 10 . 1 1 5 5 THR HA H 5 4.845 4.845 4.755 0.090 18085
331 1 10 . 1 1 5 5 THR H H 5 8.898 8.898 8.537 0.361 18085
332 1 10 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.803 -0.071 18085
333 1 10 . 1 1 6 6 ARG H H 6 8.992 8.992 8.201 0.791 18085
334 1 10 . 1 1 7 7 CYS HA H 7 5.868 5.868 4.562 1.306 18085
335 1 10 . 1 1 7 7 CYS H H 7 8.757 8.757 8.815 -0.058 18085
336 1 10 . 1 1 8 8 TRP H H 8 9.228 9.228 8.169 1.059 18085
337 1 10 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.383 0.207 18085
338 1 10 . 1 1 9 9 LYS H H 9 8.522 8.522 8.607 -0.085 18085
339 1 10 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.393 -0.099 18085
340 1 10 . 1 1 10 10 VAL H H 10 7.751 7.751 7.828 -0.077 18085
341 1 10 . 1 1 11 11 GLY H H 11 8.714 8.714 8.577 0.137 18085
342 1 10 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.418 -0.287 18085
343 1 10 . 1 1 12 12 ARG H H 12 8.686 8.686 8.258 0.428 18085
344 1 10 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.489 0.366 18085
345 1 10 . 1 1 13 13 ASN H H 13 8.479 8.479 8.935 -0.456 18085
346 1 10 . 1 1 14 14 GLY H H 14 7.867 7.867 7.900 -0.033 18085
347 1 10 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.688 0.278 18085
348 1 10 . 1 1 15 15 ARG H H 15 8.499 8.499 8.181 0.318 18085
349 1 10 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.167 -0.038 18085
350 1 10 . 1 1 16 16 VAL H H 16 8.532 8.532 8.299 0.233 18085
351 1 10 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.574 0.952 18085
352 1 10 . 1 1 17 17 CYS H H 17 8.256 8.256 8.532 -0.276 18085
353 1 10 . 1 1 18 18 MET HA H 18 4.705 4.705 4.542 0.163 18085
354 1 10 . 1 1 18 18 MET H H 18 9.331 9.331 8.424 0.907 18085
355 1 10 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.417 0.298 18085
356 1 10 . 1 1 19 19 ARG H H 19 8.690 8.690 8.390 0.300 18085
357 1 10 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.012 0.165 18085
358 1 10 . 1 1 20 20 VAL H H 20 9.096 9.096 8.226 0.870 18085
359 1 10 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.262 1.135 18085
360 1 10 . 1 1 21 21 CYS H H 21 8.801 8.801 8.544 0.257 18085
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 18085
2 1 1 "Average Difference" HA 22 0.333 -0.199 0.274 18085
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18085
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18085
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18085
6 1 1 "Average Difference" HN 20 0.358 -0.214 0.295 18085
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18085
8 1 2 "Average Difference" HA 22 0.399 -0.219 0.341 18085
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18085
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18085
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18085
12 1 2 "Average Difference" HN 20 0.387 -0.212 0.332 18085
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18085
14 1 3 "Average Difference" HA 22 0.448 -0.250 0.381 18085
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18085
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18085
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18085
18 1 3 "Average Difference" HN 20 0.456 -0.232 0.403 18085
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18085
20 1 4 "Average Difference" HA 22 0.466 -0.271 0.388 18085
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18085
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18085
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18085
24 1 4 "Average Difference" HN 20 0.436 -0.288 0.336 18085
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18085
26 1 5 "Average Difference" HA 22 0.567 -0.363 0.446 18085
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18085
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18085
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18085
30 1 5 "Average Difference" HN 20 0.474 -0.300 0.377 18085
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18085
32 1 6 "Average Difference" HA 22 0.456 -0.258 0.385 18085
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18085
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18085
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18085
36 1 6 "Average Difference" HN 20 0.444 -0.284 0.350 18085
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18085
38 1 7 "Average Difference" HA 22 0.508 -0.305 0.416 18085
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18085
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18085
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18085
42 1 7 "Average Difference" HN 20 0.496 -0.304 0.402 18085
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18085
44 1 8 "Average Difference" HA 22 0.574 -0.305 0.498 18085
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18085
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18085
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18085
48 1 8 "Average Difference" HN 20 0.558 -0.333 0.460 18085
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18085
50 1 9 "Average Difference" HA 22 0.500 -0.286 0.419 18085
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18085
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18085
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18085
54 1 9 "Average Difference" HN 20 0.458 -0.279 0.373 18085
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18085
56 1 10 "Average Difference" HA 22 0.559 -0.319 0.470 18085
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18085
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18085
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18085
60 1 10 "Average Difference" HN 20 0.479 -0.277 0.401 18085
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 18085
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY H H 2 8.662 8.662 8.270 0.392 18085
2 1 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.547 1.221 18085
3 1 . 1 1 3 3 CYS H H 3 8.580 8.580 8.122 0.458 18085
4 1 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.726 0.124 18085
5 1 . 1 1 4 4 TYR H H 4 9.060 9.060 8.510 0.550 18085
6 1 . 1 1 5 5 THR HA H 5 4.845 4.845 4.543 0.301 18085
7 1 . 1 1 5 5 THR H H 5 8.898 8.898 8.470 0.428 18085
8 1 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.843 -0.111 18085
9 1 . 1 1 6 6 ARG H H 6 8.992 8.992 8.584 0.408 18085
10 1 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.230 0.638 18085
11 1 . 1 1 7 7 CYS H H 7 8.757 8.757 8.749 0.008 18085
12 1 . 1 1 8 8 TRP H H 8 9.228 9.228 8.583 0.645 18085
13 1 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.304 0.286 18085
14 1 . 1 1 9 9 LYS H H 9 8.522 8.522 8.466 0.056 18085
15 1 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.375 -0.081 18085
16 1 . 1 1 10 10 VAL H H 10 7.751 7.751 8.057 -0.306 18085
17 1 . 1 1 11 11 GLY H H 11 8.714 8.714 8.406 0.307 18085
18 1 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.289 -0.158 18085
19 1 . 1 1 12 12 ARG H H 12 8.686 8.686 8.352 0.334 18085
20 1 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.719 0.136 18085
21 1 . 1 1 13 13 ASN H H 13 8.479 8.479 8.508 -0.029 18085
22 1 . 1 1 14 14 GLY H H 14 7.867 7.867 8.114 -0.247 18085
23 1 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.385 0.581 18085
24 1 . 1 1 15 15 ARG H H 15 8.499 8.499 8.200 0.299 18085
25 1 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.137 -0.008 18085
26 1 . 1 1 16 16 VAL H H 16 8.532 8.532 7.981 0.551 18085
27 1 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.909 0.617 18085
28 1 . 1 1 17 17 CYS H H 17 8.256 8.256 8.390 -0.134 18085
29 1 . 1 1 18 18 MET HA H 18 4.705 4.705 4.912 -0.207 18085
30 1 . 1 1 18 18 MET H H 18 9.331 9.331 9.090 0.241 18085
31 1 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.501 0.214 18085
32 1 . 1 1 19 19 ARG H H 19 8.690 8.690 8.495 0.195 18085
33 1 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.049 0.128 18085
34 1 . 1 1 20 20 VAL H H 20 9.096 9.096 8.112 0.984 18085
35 1 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.519 0.878 18085
36 1 . 1 1 21 21 CYS H H 21 8.801 8.801 8.493 0.307 18085
stop_
save_