data_19823
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19823
_Entry.PDB_ID 2MLJ
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 19823
_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 ILE HA H 2 4.891 4.891 4.686 0.205 19823
2 1 1 . 1 1 2 2 ILE H H 2 9.084 9.084 8.094 0.990 19823
3 1 1 . 1 1 3 3 GLY H H 3 8.699 8.699 8.034 0.665 19823
4 1 1 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.668 0.482 19823
5 1 1 . 1 1 4 4 ASP H H 4 8.972 8.972 8.635 0.337 19823
6 1 1 . 1 1 5 5 SER HA H 5 3.235 3.235 4.324 -1.089 19823
7 1 1 . 1 1 5 5 SER H H 5 7.597 7.597 7.714 -0.117 19823
8 1 1 . 1 1 6 6 GLY H H 6 8.185 8.185 8.331 -0.146 19823
9 1 1 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.613 0.225 19823
10 1 1 . 1 1 7 7 LEU H H 7 9.402 9.402 7.899 1.503 19823
11 1 1 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.978 0.025 19823
12 1 1 . 1 1 8 8 ARG H H 8 8.869 8.869 8.775 0.094 19823
13 1 1 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.700 -0.318 19823
14 1 1 . 1 1 9 9 GLU H H 9 7.985 7.985 8.166 -0.181 19823
15 1 1 . 1 1 10 10 SER HA H 10 4.685 4.685 4.613 0.072 19823
16 1 1 . 1 1 10 10 SER H H 10 7.851 7.851 7.732 0.119 19823
17 1 1 . 1 1 11 11 MET HA H 11 4.569 4.569 4.397 0.172 19823
18 1 1 . 1 1 11 11 MET H H 11 8.899 8.899 8.718 0.181 19823
19 1 1 . 1 1 12 12 SER HA H 12 4.724 4.724 4.417 0.307 19823
20 1 1 . 1 1 12 12 SER H H 12 8.304 8.304 7.854 0.450 19823
21 1 1 . 1 1 13 13 SER HA H 13 4.660 4.660 4.374 0.286 19823
22 1 1 . 1 1 13 13 SER H H 13 7.669 7.669 7.679 -0.010 19823
23 1 1 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.340 0.146 19823
24 1 1 . 1 1 14 14 GLN H H 14 8.919 8.919 8.442 0.477 19823
25 1 1 . 1 1 15 15 THR HA H 15 4.646 4.646 4.532 0.114 19823
26 1 1 . 1 1 15 15 THR H H 15 7.464 7.464 7.370 0.094 19823
27 1 1 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.929 0.206 19823
28 1 1 . 1 1 16 16 TYR H H 16 8.053 8.053 7.849 0.204 19823
29 1 1 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.048 0.439 19823
30 1 1 . 1 1 17 17 TRP H H 17 9.348 9.348 8.205 1.143 19823
31 1 2 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.646 0.245 19823
32 1 2 . 1 1 2 2 ILE H H 2 9.084 9.084 8.084 1.000 19823
33 1 2 . 1 1 3 3 GLY H H 3 8.699 8.699 8.015 0.684 19823
34 1 2 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.773 0.377 19823
35 1 2 . 1 1 4 4 ASP H H 4 8.972 8.972 8.665 0.307 19823
36 1 2 . 1 1 5 5 SER HA H 5 3.235 3.235 4.260 -1.025 19823
37 1 2 . 1 1 5 5 SER H H 5 7.597 7.597 7.680 -0.083 19823
38 1 2 . 1 1 6 6 GLY H H 6 8.185 8.185 8.348 -0.163 19823
39 1 2 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.638 0.200 19823
40 1 2 . 1 1 7 7 LEU H H 7 9.402 9.402 7.978 1.424 19823
41 1 2 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.705 0.298 19823
42 1 2 . 1 1 8 8 ARG H H 8 8.869 8.869 8.785 0.084 19823
43 1 2 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.741 -0.359 19823
44 1 2 . 1 1 9 9 GLU H H 9 7.985 7.985 8.064 -0.079 19823
45 1 2 . 1 1 10 10 SER HA H 10 4.685 4.685 4.743 -0.058 19823
46 1 2 . 1 1 10 10 SER H H 10 7.851 7.851 7.594 0.257 19823
47 1 2 . 1 1 11 11 MET HA H 11 4.569 4.569 4.323 0.246 19823
48 1 2 . 1 1 11 11 MET H H 11 8.899 8.899 8.450 0.449 19823
49 1 2 . 1 1 12 12 SER HA H 12 4.724 4.724 4.418 0.306 19823
50 1 2 . 1 1 12 12 SER H H 12 8.304 8.304 8.020 0.284 19823
51 1 2 . 1 1 13 13 SER HA H 13 4.660 4.660 4.353 0.307 19823
52 1 2 . 1 1 13 13 SER H H 13 7.669 7.669 7.569 0.100 19823
53 1 2 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.364 0.122 19823
54 1 2 . 1 1 14 14 GLN H H 14 8.919 8.919 8.383 0.536 19823
55 1 2 . 1 1 15 15 THR HA H 15 4.646 4.646 4.558 0.088 19823
56 1 2 . 1 1 15 15 THR H H 15 7.464 7.464 7.333 0.131 19823
57 1 2 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.935 0.200 19823
58 1 2 . 1 1 16 16 TYR H H 16 8.053 8.053 7.876 0.177 19823
59 1 2 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.042 0.445 19823
60 1 2 . 1 1 17 17 TRP H H 17 9.348 9.348 8.184 1.164 19823
61 1 3 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.614 0.277 19823
62 1 3 . 1 1 2 2 ILE H H 2 9.084 9.084 7.779 1.305 19823
63 1 3 . 1 1 3 3 GLY H H 3 8.699 8.699 8.063 0.636 19823
64 1 3 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.728 0.422 19823
65 1 3 . 1 1 4 4 ASP H H 4 8.972 8.972 8.597 0.375 19823
66 1 3 . 1 1 5 5 SER HA H 5 3.235 3.235 4.329 -1.094 19823
67 1 3 . 1 1 5 5 SER H H 5 7.597 7.597 7.753 -0.156 19823
68 1 3 . 1 1 6 6 GLY H H 6 8.185 8.185 8.340 -0.155 19823
69 1 3 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.605 0.233 19823
70 1 3 . 1 1 7 7 LEU H H 7 9.402 9.402 7.939 1.463 19823
71 1 3 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.683 0.320 19823
72 1 3 . 1 1 8 8 ARG H H 8 8.869 8.869 8.820 0.049 19823
73 1 3 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.830 -0.448 19823
74 1 3 . 1 1 9 9 GLU H H 9 7.985 7.985 8.302 -0.317 19823
75 1 3 . 1 1 10 10 SER HA H 10 4.685 4.685 4.767 -0.082 19823
76 1 3 . 1 1 10 10 SER H H 10 7.851 7.851 7.607 0.244 19823
77 1 3 . 1 1 11 11 MET HA H 11 4.569 4.569 4.279 0.290 19823
78 1 3 . 1 1 11 11 MET H H 11 8.899 8.899 8.504 0.395 19823
79 1 3 . 1 1 12 12 SER HA H 12 4.724 4.724 4.448 0.276 19823
80 1 3 . 1 1 12 12 SER H H 12 8.304 8.304 7.997 0.307 19823
81 1 3 . 1 1 13 13 SER HA H 13 4.660 4.660 4.370 0.290 19823
82 1 3 . 1 1 13 13 SER H H 13 7.669 7.669 7.603 0.066 19823
83 1 3 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.312 0.174 19823
84 1 3 . 1 1 14 14 GLN H H 14 8.919 8.919 8.558 0.361 19823
85 1 3 . 1 1 15 15 THR HA H 15 4.646 4.646 4.429 0.217 19823
86 1 3 . 1 1 15 15 THR H H 15 7.464 7.464 7.235 0.229 19823
87 1 3 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.997 0.138 19823
88 1 3 . 1 1 16 16 TYR H H 16 8.053 8.053 8.046 0.007 19823
89 1 3 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.020 0.467 19823
90 1 3 . 1 1 17 17 TRP H H 17 9.348 9.348 8.177 1.171 19823
91 1 4 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.604 0.287 19823
92 1 4 . 1 1 2 2 ILE H H 2 9.084 9.084 8.049 1.035 19823
93 1 4 . 1 1 3 3 GLY H H 3 8.699 8.699 8.115 0.584 19823
94 1 4 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.706 0.444 19823
95 1 4 . 1 1 4 4 ASP H H 4 8.972 8.972 8.562 0.410 19823
96 1 4 . 1 1 5 5 SER HA H 5 3.235 3.235 4.320 -1.085 19823
97 1 4 . 1 1 5 5 SER H H 5 7.597 7.597 7.659 -0.062 19823
98 1 4 . 1 1 6 6 GLY H H 6 8.185 8.185 8.327 -0.142 19823
99 1 4 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.601 0.237 19823
100 1 4 . 1 1 7 7 LEU H H 7 9.402 9.402 7.935 1.467 19823
101 1 4 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.747 0.256 19823
102 1 4 . 1 1 8 8 ARG H H 8 8.869 8.869 8.798 0.071 19823
103 1 4 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.776 -0.394 19823
104 1 4 . 1 1 9 9 GLU H H 9 7.985 7.985 8.160 -0.175 19823
105 1 4 . 1 1 10 10 SER HA H 10 4.685 4.685 4.664 0.021 19823
106 1 4 . 1 1 10 10 SER H H 10 7.851 7.851 7.570 0.281 19823
107 1 4 . 1 1 11 11 MET HA H 11 4.569 4.569 4.424 0.145 19823
108 1 4 . 1 1 11 11 MET H H 11 8.899 8.899 8.484 0.415 19823
109 1 4 . 1 1 12 12 SER HA H 12 4.724 4.724 4.479 0.245 19823
110 1 4 . 1 1 12 12 SER H H 12 8.304 8.304 7.981 0.323 19823
111 1 4 . 1 1 13 13 SER HA H 13 4.660 4.660 4.348 0.312 19823
112 1 4 . 1 1 13 13 SER H H 13 7.669 7.669 8.123 -0.454 19823
113 1 4 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.370 0.116 19823
114 1 4 . 1 1 14 14 GLN H H 14 8.919 8.919 8.423 0.496 19823
115 1 4 . 1 1 15 15 THR HA H 15 4.646 4.646 4.429 0.217 19823
116 1 4 . 1 1 15 15 THR H H 15 7.464 7.464 7.170 0.294 19823
117 1 4 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.945 0.190 19823
118 1 4 . 1 1 16 16 TYR H H 16 8.053 8.053 7.877 0.176 19823
119 1 4 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.032 0.455 19823
120 1 4 . 1 1 17 17 TRP H H 17 9.348 9.348 8.172 1.176 19823
121 1 5 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.553 0.338 19823
122 1 5 . 1 1 2 2 ILE H H 2 9.084 9.084 7.899 1.185 19823
123 1 5 . 1 1 3 3 GLY H H 3 8.699 8.699 8.058 0.641 19823
124 1 5 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.761 0.389 19823
125 1 5 . 1 1 4 4 ASP H H 4 8.972 8.972 8.679 0.293 19823
126 1 5 . 1 1 5 5 SER HA H 5 3.235 3.235 4.317 -1.082 19823
127 1 5 . 1 1 5 5 SER H H 5 7.597 7.597 7.691 -0.094 19823
128 1 5 . 1 1 6 6 GLY H H 6 8.185 8.185 8.350 -0.165 19823
129 1 5 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.693 0.145 19823
130 1 5 . 1 1 7 7 LEU H H 7 9.402 9.402 7.942 1.460 19823
131 1 5 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.742 0.261 19823
132 1 5 . 1 1 8 8 ARG H H 8 8.869 8.869 8.743 0.126 19823
133 1 5 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.743 -0.361 19823
134 1 5 . 1 1 9 9 GLU H H 9 7.985 7.985 8.099 -0.114 19823
135 1 5 . 1 1 10 10 SER HA H 10 4.685 4.685 4.626 0.059 19823
136 1 5 . 1 1 10 10 SER H H 10 7.851 7.851 7.599 0.252 19823
137 1 5 . 1 1 11 11 MET HA H 11 4.569 4.569 4.239 0.330 19823
138 1 5 . 1 1 11 11 MET H H 11 8.899 8.899 8.503 0.396 19823
139 1 5 . 1 1 12 12 SER HA H 12 4.724 4.724 4.406 0.318 19823
140 1 5 . 1 1 12 12 SER H H 12 8.304 8.304 7.968 0.336 19823
141 1 5 . 1 1 13 13 SER HA H 13 4.660 4.660 4.368 0.292 19823
142 1 5 . 1 1 13 13 SER H H 13 7.669 7.669 7.546 0.123 19823
143 1 5 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.315 0.171 19823
144 1 5 . 1 1 14 14 GLN H H 14 8.919 8.919 8.380 0.539 19823
145 1 5 . 1 1 15 15 THR HA H 15 4.646 4.646 4.556 0.090 19823
146 1 5 . 1 1 15 15 THR H H 15 7.464 7.464 7.207 0.257 19823
147 1 5 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.872 0.263 19823
148 1 5 . 1 1 16 16 TYR H H 16 8.053 8.053 7.966 0.087 19823
149 1 5 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.038 0.449 19823
150 1 5 . 1 1 17 17 TRP H H 17 9.348 9.348 8.175 1.173 19823
151 1 6 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.628 0.263 19823
152 1 6 . 1 1 2 2 ILE H H 2 9.084 9.084 8.042 1.042 19823
153 1 6 . 1 1 3 3 GLY H H 3 8.699 8.699 8.082 0.617 19823
154 1 6 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.782 0.368 19823
155 1 6 . 1 1 4 4 ASP H H 4 8.972 8.972 8.650 0.322 19823
156 1 6 . 1 1 5 5 SER HA H 5 3.235 3.235 4.328 -1.093 19823
157 1 6 . 1 1 5 5 SER H H 5 7.597 7.597 7.676 -0.079 19823
158 1 6 . 1 1 6 6 GLY H H 6 8.185 8.185 8.329 -0.144 19823
159 1 6 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.645 0.193 19823
160 1 6 . 1 1 7 7 LEU H H 7 9.402 9.402 7.890 1.512 19823
161 1 6 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.754 0.249 19823
162 1 6 . 1 1 8 8 ARG H H 8 8.869 8.869 8.763 0.106 19823
163 1 6 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.757 -0.375 19823
164 1 6 . 1 1 9 9 GLU H H 9 7.985 7.985 8.181 -0.196 19823
165 1 6 . 1 1 10 10 SER HA H 10 4.685 4.685 4.659 0.026 19823
166 1 6 . 1 1 10 10 SER H H 10 7.851 7.851 7.544 0.307 19823
167 1 6 . 1 1 11 11 MET HA H 11 4.569 4.569 4.381 0.188 19823
168 1 6 . 1 1 11 11 MET H H 11 8.899 8.899 8.410 0.489 19823
169 1 6 . 1 1 12 12 SER HA H 12 4.724 4.724 4.474 0.250 19823
170 1 6 . 1 1 12 12 SER H H 12 8.304 8.304 7.925 0.379 19823
171 1 6 . 1 1 13 13 SER HA H 13 4.660 4.660 4.388 0.272 19823
172 1 6 . 1 1 13 13 SER H H 13 7.669 7.669 8.226 -0.557 19823
173 1 6 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.270 0.216 19823
174 1 6 . 1 1 14 14 GLN H H 14 8.919 8.919 8.666 0.253 19823
175 1 6 . 1 1 15 15 THR HA H 15 4.646 4.646 4.519 0.127 19823
176 1 6 . 1 1 15 15 THR H H 15 7.464 7.464 7.062 0.402 19823
177 1 6 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.937 0.198 19823
178 1 6 . 1 1 16 16 TYR H H 16 8.053 8.053 7.849 0.204 19823
179 1 6 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.031 0.456 19823
180 1 6 . 1 1 17 17 TRP H H 17 9.348 9.348 8.168 1.180 19823
181 1 7 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.515 0.376 19823
182 1 7 . 1 1 2 2 ILE H H 2 9.084 9.084 7.862 1.222 19823
183 1 7 . 1 1 3 3 GLY H H 3 8.699 8.699 8.034 0.665 19823
184 1 7 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.772 0.378 19823
185 1 7 . 1 1 4 4 ASP H H 4 8.972 8.972 8.662 0.310 19823
186 1 7 . 1 1 5 5 SER HA H 5 3.235 3.235 4.334 -1.099 19823
187 1 7 . 1 1 5 5 SER H H 5 7.597 7.597 7.743 -0.146 19823
188 1 7 . 1 1 6 6 GLY H H 6 8.185 8.185 8.366 -0.181 19823
189 1 7 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.605 0.233 19823
190 1 7 . 1 1 7 7 LEU H H 7 9.402 9.402 7.933 1.469 19823
191 1 7 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.672 0.331 19823
192 1 7 . 1 1 8 8 ARG H H 8 8.869 8.869 8.748 0.121 19823
193 1 7 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.803 -0.421 19823
194 1 7 . 1 1 9 9 GLU H H 9 7.985 7.985 8.151 -0.166 19823
195 1 7 . 1 1 10 10 SER HA H 10 4.685 4.685 4.636 0.049 19823
196 1 7 . 1 1 10 10 SER H H 10 7.851 7.851 7.541 0.310 19823
197 1 7 . 1 1 11 11 MET HA H 11 4.569 4.569 4.349 0.220 19823
198 1 7 . 1 1 11 11 MET H H 11 8.899 8.899 8.411 0.488 19823
199 1 7 . 1 1 12 12 SER HA H 12 4.724 4.724 4.381 0.343 19823
200 1 7 . 1 1 12 12 SER H H 12 8.304 8.304 7.846 0.458 19823
201 1 7 . 1 1 13 13 SER HA H 13 4.660 4.660 4.274 0.386 19823
202 1 7 . 1 1 13 13 SER H H 13 7.669 7.669 8.143 -0.474 19823
203 1 7 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.297 0.189 19823
204 1 7 . 1 1 14 14 GLN H H 14 8.919 8.919 8.382 0.537 19823
205 1 7 . 1 1 15 15 THR HA H 15 4.646 4.646 4.568 0.078 19823
206 1 7 . 1 1 15 15 THR H H 15 7.464 7.464 7.317 0.147 19823
207 1 7 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.896 0.239 19823
208 1 7 . 1 1 16 16 TYR H H 16 8.053 8.053 7.918 0.135 19823
209 1 7 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.037 0.450 19823
210 1 7 . 1 1 17 17 TRP H H 17 9.348 9.348 8.164 1.184 19823
211 1 8 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.638 0.253 19823
212 1 8 . 1 1 2 2 ILE H H 2 9.084 9.084 7.798 1.286 19823
213 1 8 . 1 1 3 3 GLY H H 3 8.699 8.699 8.079 0.620 19823
214 1 8 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.786 0.364 19823
215 1 8 . 1 1 4 4 ASP H H 4 8.972 8.972 8.659 0.313 19823
216 1 8 . 1 1 5 5 SER HA H 5 3.235 3.235 4.358 -1.123 19823
217 1 8 . 1 1 5 5 SER H H 5 7.597 7.597 7.775 -0.178 19823
218 1 8 . 1 1 6 6 GLY H H 6 8.185 8.185 8.361 -0.176 19823
219 1 8 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.642 0.196 19823
220 1 8 . 1 1 7 7 LEU H H 7 9.402 9.402 7.894 1.508 19823
221 1 8 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.755 0.248 19823
222 1 8 . 1 1 8 8 ARG H H 8 8.869 8.869 8.774 0.095 19823
223 1 8 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.717 -0.335 19823
224 1 8 . 1 1 9 9 GLU H H 9 7.985 7.985 8.286 -0.301 19823
225 1 8 . 1 1 10 10 SER HA H 10 4.685 4.685 4.649 0.036 19823
226 1 8 . 1 1 10 10 SER H H 10 7.851 7.851 7.542 0.309 19823
227 1 8 . 1 1 11 11 MET HA H 11 4.569 4.569 4.360 0.209 19823
228 1 8 . 1 1 11 11 MET H H 11 8.899 8.899 8.619 0.280 19823
229 1 8 . 1 1 12 12 SER HA H 12 4.724 4.724 4.430 0.294 19823
230 1 8 . 1 1 12 12 SER H H 12 8.304 8.304 7.916 0.388 19823
231 1 8 . 1 1 13 13 SER HA H 13 4.660 4.660 4.335 0.325 19823
232 1 8 . 1 1 13 13 SER H H 13 7.669 7.669 8.188 -0.519 19823
233 1 8 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.246 0.240 19823
234 1 8 . 1 1 14 14 GLN H H 14 8.919 8.919 8.557 0.362 19823
235 1 8 . 1 1 15 15 THR HA H 15 4.646 4.646 4.555 0.091 19823
236 1 8 . 1 1 15 15 THR H H 15 7.464 7.464 7.188 0.276 19823
237 1 8 . 1 1 16 16 TYR HA H 16 5.135 5.135 5.006 0.129 19823
238 1 8 . 1 1 16 16 TYR H H 16 8.053 8.053 8.004 0.049 19823
239 1 8 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.015 0.472 19823
240 1 8 . 1 1 17 17 TRP H H 17 9.348 9.348 8.189 1.159 19823
241 1 9 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.631 0.260 19823
242 1 9 . 1 1 2 2 ILE H H 2 9.084 9.084 8.049 1.035 19823
243 1 9 . 1 1 3 3 GLY H H 3 8.699 8.699 8.078 0.621 19823
244 1 9 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.723 0.427 19823
245 1 9 . 1 1 4 4 ASP H H 4 8.972 8.972 8.545 0.427 19823
246 1 9 . 1 1 5 5 SER HA H 5 3.235 3.235 4.340 -1.105 19823
247 1 9 . 1 1 5 5 SER H H 5 7.597 7.597 7.778 -0.181 19823
248 1 9 . 1 1 6 6 GLY H H 6 8.185 8.185 8.386 -0.201 19823
249 1 9 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.635 0.203 19823
250 1 9 . 1 1 7 7 LEU H H 7 9.402 9.402 8.008 1.394 19823
251 1 9 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.732 0.271 19823
252 1 9 . 1 1 8 8 ARG H H 8 8.869 8.869 8.787 0.082 19823
253 1 9 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.785 -0.403 19823
254 1 9 . 1 1 9 9 GLU H H 9 7.985 7.985 8.225 -0.240 19823
255 1 9 . 1 1 10 10 SER HA H 10 4.685 4.685 4.679 0.006 19823
256 1 9 . 1 1 10 10 SER H H 10 7.851 7.851 7.641 0.210 19823
257 1 9 . 1 1 11 11 MET HA H 11 4.569 4.569 4.418 0.151 19823
258 1 9 . 1 1 11 11 MET H H 11 8.899 8.899 8.660 0.239 19823
259 1 9 . 1 1 12 12 SER HA H 12 4.724 4.724 4.423 0.301 19823
260 1 9 . 1 1 12 12 SER H H 12 8.304 8.304 7.948 0.356 19823
261 1 9 . 1 1 13 13 SER HA H 13 4.660 4.660 4.348 0.312 19823
262 1 9 . 1 1 13 13 SER H H 13 7.669 7.669 8.168 -0.499 19823
263 1 9 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.294 0.192 19823
264 1 9 . 1 1 14 14 GLN H H 14 8.919 8.919 8.496 0.423 19823
265 1 9 . 1 1 15 15 THR HA H 15 4.646 4.646 4.463 0.183 19823
266 1 9 . 1 1 15 15 THR H H 15 7.464 7.464 7.395 0.069 19823
267 1 9 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.919 0.216 19823
268 1 9 . 1 1 16 16 TYR H H 16 8.053 8.053 7.904 0.149 19823
269 1 9 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.028 0.459 19823
270 1 9 . 1 1 17 17 TRP H H 17 9.348 9.348 8.167 1.181 19823
271 1 10 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.536 0.355 19823
272 1 10 . 1 1 2 2 ILE H H 2 9.084 9.084 7.812 1.272 19823
273 1 10 . 1 1 3 3 GLY H H 3 8.699 8.699 8.110 0.589 19823
274 1 10 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.646 0.504 19823
275 1 10 . 1 1 4 4 ASP H H 4 8.972 8.972 8.481 0.491 19823
276 1 10 . 1 1 5 5 SER HA H 5 3.235 3.235 4.207 -0.972 19823
277 1 10 . 1 1 5 5 SER H H 5 7.597 7.597 7.679 -0.082 19823
278 1 10 . 1 1 6 6 GLY H H 6 8.185 8.185 8.315 -0.130 19823
279 1 10 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.641 0.197 19823
280 1 10 . 1 1 7 7 LEU H H 7 9.402 9.402 7.883 1.519 19823
281 1 10 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.851 0.152 19823
282 1 10 . 1 1 8 8 ARG H H 8 8.869 8.869 8.767 0.102 19823
283 1 10 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.800 -0.418 19823
284 1 10 . 1 1 9 9 GLU H H 9 7.985 7.985 8.191 -0.206 19823
285 1 10 . 1 1 10 10 SER HA H 10 4.685 4.685 4.622 0.063 19823
286 1 10 . 1 1 10 10 SER H H 10 7.851 7.851 7.707 0.144 19823
287 1 10 . 1 1 11 11 MET HA H 11 4.569 4.569 4.295 0.274 19823
288 1 10 . 1 1 11 11 MET H H 11 8.899 8.899 8.825 0.074 19823
289 1 10 . 1 1 12 12 SER HA H 12 4.724 4.724 4.384 0.340 19823
290 1 10 . 1 1 12 12 SER H H 12 8.304 8.304 8.141 0.163 19823
291 1 10 . 1 1 13 13 SER HA H 13 4.660 4.660 4.407 0.253 19823
292 1 10 . 1 1 13 13 SER H H 13 7.669 7.669 7.592 0.077 19823
293 1 10 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.357 0.129 19823
294 1 10 . 1 1 14 14 GLN H H 14 8.919 8.919 8.422 0.497 19823
295 1 10 . 1 1 15 15 THR HA H 15 4.646 4.646 4.539 0.107 19823
296 1 10 . 1 1 15 15 THR H H 15 7.464 7.464 7.251 0.213 19823
297 1 10 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.954 0.181 19823
298 1 10 . 1 1 16 16 TYR H H 16 8.053 8.053 7.871 0.182 19823
299 1 10 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.046 0.441 19823
300 1 10 . 1 1 17 17 TRP H H 17 9.348 9.348 8.180 1.168 19823
301 1 11 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.554 0.337 19823
302 1 11 . 1 1 2 2 ILE H H 2 9.084 9.084 7.904 1.180 19823
303 1 11 . 1 1 3 3 GLY H H 3 8.699 8.699 8.139 0.560 19823
304 1 11 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.810 0.340 19823
305 1 11 . 1 1 4 4 ASP H H 4 8.972 8.972 8.656 0.316 19823
306 1 11 . 1 1 5 5 SER HA H 5 3.235 3.235 4.344 -1.109 19823
307 1 11 . 1 1 5 5 SER H H 5 7.597 7.597 7.575 0.022 19823
308 1 11 . 1 1 6 6 GLY H H 6 8.185 8.185 8.330 -0.145 19823
309 1 11 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.609 0.229 19823
310 1 11 . 1 1 7 7 LEU H H 7 9.402 9.402 7.923 1.479 19823
311 1 11 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.743 0.260 19823
312 1 11 . 1 1 8 8 ARG H H 8 8.869 8.869 8.800 0.069 19823
313 1 11 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.686 -0.304 19823
314 1 11 . 1 1 9 9 GLU H H 9 7.985 7.985 8.137 -0.152 19823
315 1 11 . 1 1 10 10 SER HA H 10 4.685 4.685 4.621 0.064 19823
316 1 11 . 1 1 10 10 SER H H 10 7.851 7.851 7.583 0.268 19823
317 1 11 . 1 1 11 11 MET HA H 11 4.569 4.569 4.294 0.275 19823
318 1 11 . 1 1 11 11 MET H H 11 8.899 8.899 8.335 0.564 19823
319 1 11 . 1 1 12 12 SER HA H 12 4.724 4.724 4.411 0.313 19823
320 1 11 . 1 1 12 12 SER H H 12 8.304 8.304 7.808 0.496 19823
321 1 11 . 1 1 13 13 SER HA H 13 4.660 4.660 4.388 0.272 19823
322 1 11 . 1 1 13 13 SER H H 13 7.669 7.669 7.585 0.084 19823
323 1 11 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.285 0.201 19823
324 1 11 . 1 1 14 14 GLN H H 14 8.919 8.919 8.431 0.488 19823
325 1 11 . 1 1 15 15 THR HA H 15 4.646 4.646 4.514 0.132 19823
326 1 11 . 1 1 15 15 THR H H 15 7.464 7.464 7.264 0.200 19823
327 1 11 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.907 0.228 19823
328 1 11 . 1 1 16 16 TYR H H 16 8.053 8.053 7.964 0.089 19823
329 1 11 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.023 0.464 19823
330 1 11 . 1 1 17 17 TRP H H 17 9.348 9.348 8.206 1.142 19823
331 1 12 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.602 0.289 19823
332 1 12 . 1 1 2 2 ILE H H 2 9.084 9.084 8.047 1.037 19823
333 1 12 . 1 1 3 3 GLY H H 3 8.699 8.699 8.020 0.679 19823
334 1 12 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.774 0.376 19823
335 1 12 . 1 1 4 4 ASP H H 4 8.972 8.972 8.686 0.286 19823
336 1 12 . 1 1 5 5 SER HA H 5 3.235 3.235 4.338 -1.103 19823
337 1 12 . 1 1 5 5 SER H H 5 7.597 7.597 7.592 0.005 19823
338 1 12 . 1 1 6 6 GLY H H 6 8.185 8.185 8.340 -0.155 19823
339 1 12 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.637 0.201 19823
340 1 12 . 1 1 7 7 LEU H H 7 9.402 9.402 7.920 1.482 19823
341 1 12 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.753 0.250 19823
342 1 12 . 1 1 8 8 ARG H H 8 8.869 8.869 8.739 0.130 19823
343 1 12 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.800 -0.418 19823
344 1 12 . 1 1 9 9 GLU H H 9 7.985 7.985 8.118 -0.133 19823
345 1 12 . 1 1 10 10 SER HA H 10 4.685 4.685 4.617 0.068 19823
346 1 12 . 1 1 10 10 SER H H 10 7.851 7.851 7.695 0.156 19823
347 1 12 . 1 1 11 11 MET HA H 11 4.569 4.569 4.372 0.197 19823
348 1 12 . 1 1 11 11 MET H H 11 8.899 8.899 8.709 0.190 19823
349 1 12 . 1 1 12 12 SER HA H 12 4.724 4.724 4.438 0.286 19823
350 1 12 . 1 1 12 12 SER H H 12 8.304 8.304 7.955 0.349 19823
351 1 12 . 1 1 13 13 SER HA H 13 4.660 4.660 4.472 0.188 19823
352 1 12 . 1 1 13 13 SER H H 13 7.669 7.669 7.618 0.051 19823
353 1 12 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.429 0.057 19823
354 1 12 . 1 1 14 14 GLN H H 14 8.919 8.919 8.409 0.510 19823
355 1 12 . 1 1 15 15 THR HA H 15 4.646 4.646 4.576 0.070 19823
356 1 12 . 1 1 15 15 THR H H 15 7.464 7.464 7.326 0.138 19823
357 1 12 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.893 0.242 19823
358 1 12 . 1 1 16 16 TYR H H 16 8.053 8.053 7.887 0.166 19823
359 1 12 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.056 0.431 19823
360 1 12 . 1 1 17 17 TRP H H 17 9.348 9.348 8.252 1.096 19823
361 1 13 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.614 0.277 19823
362 1 13 . 1 1 2 2 ILE H H 2 9.084 9.084 7.765 1.319 19823
363 1 13 . 1 1 3 3 GLY H H 3 8.699 8.699 8.205 0.494 19823
364 1 13 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.644 0.506 19823
365 1 13 . 1 1 4 4 ASP H H 4 8.972 8.972 8.482 0.490 19823
366 1 13 . 1 1 5 5 SER HA H 5 3.235 3.235 4.290 -1.055 19823
367 1 13 . 1 1 5 5 SER H H 5 7.597 7.597 7.752 -0.155 19823
368 1 13 . 1 1 6 6 GLY H H 6 8.185 8.185 8.339 -0.154 19823
369 1 13 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.631 0.207 19823
370 1 13 . 1 1 7 7 LEU H H 7 9.402 9.402 7.890 1.512 19823
371 1 13 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.751 0.252 19823
372 1 13 . 1 1 8 8 ARG H H 8 8.869 8.869 8.820 0.049 19823
373 1 13 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.792 -0.410 19823
374 1 13 . 1 1 9 9 GLU H H 9 7.985 7.985 8.290 -0.305 19823
375 1 13 . 1 1 10 10 SER HA H 10 4.685 4.685 4.635 0.050 19823
376 1 13 . 1 1 10 10 SER H H 10 7.851 7.851 7.623 0.228 19823
377 1 13 . 1 1 11 11 MET HA H 11 4.569 4.569 4.295 0.274 19823
378 1 13 . 1 1 11 11 MET H H 11 8.899 8.899 8.505 0.394 19823
379 1 13 . 1 1 12 12 SER HA H 12 4.724 4.724 4.319 0.405 19823
380 1 13 . 1 1 12 12 SER H H 12 8.304 8.304 7.996 0.308 19823
381 1 13 . 1 1 13 13 SER HA H 13 4.660 4.660 4.360 0.300 19823
382 1 13 . 1 1 13 13 SER H H 13 7.669 7.669 7.587 0.082 19823
383 1 13 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.303 0.183 19823
384 1 13 . 1 1 14 14 GLN H H 14 8.919 8.919 8.366 0.553 19823
385 1 13 . 1 1 15 15 THR HA H 15 4.646 4.646 4.581 0.065 19823
386 1 13 . 1 1 15 15 THR H H 15 7.464 7.464 7.352 0.112 19823
387 1 13 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.995 0.140 19823
388 1 13 . 1 1 16 16 TYR H H 16 8.053 8.053 8.094 -0.041 19823
389 1 13 . 1 1 17 17 TRP HA H 17 5.487 5.487 4.999 0.488 19823
390 1 13 . 1 1 17 17 TRP H H 17 9.348 9.348 8.179 1.169 19823
391 1 14 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.557 0.334 19823
392 1 14 . 1 1 2 2 ILE H H 2 9.084 9.084 7.910 1.174 19823
393 1 14 . 1 1 3 3 GLY H H 3 8.699 8.699 8.141 0.558 19823
394 1 14 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.713 0.437 19823
395 1 14 . 1 1 4 4 ASP H H 4 8.972 8.972 8.641 0.331 19823
396 1 14 . 1 1 5 5 SER HA H 5 3.235 3.235 4.297 -1.062 19823
397 1 14 . 1 1 5 5 SER H H 5 7.597 7.597 7.628 -0.031 19823
398 1 14 . 1 1 6 6 GLY H H 6 8.185 8.185 8.320 -0.135 19823
399 1 14 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.580 0.258 19823
400 1 14 . 1 1 7 7 LEU H H 7 9.402 9.402 7.949 1.453 19823
401 1 14 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.878 0.125 19823
402 1 14 . 1 1 8 8 ARG H H 8 8.869 8.869 8.812 0.057 19823
403 1 14 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.700 -0.318 19823
404 1 14 . 1 1 9 9 GLU H H 9 7.985 7.985 8.066 -0.081 19823
405 1 14 . 1 1 10 10 SER HA H 10 4.685 4.685 4.742 -0.057 19823
406 1 14 . 1 1 10 10 SER H H 10 7.851 7.851 7.610 0.241 19823
407 1 14 . 1 1 11 11 MET HA H 11 4.569 4.569 4.311 0.258 19823
408 1 14 . 1 1 11 11 MET H H 11 8.899 8.899 8.500 0.399 19823
409 1 14 . 1 1 12 12 SER HA H 12 4.724 4.724 4.472 0.252 19823
410 1 14 . 1 1 12 12 SER H H 12 8.304 8.304 8.039 0.265 19823
411 1 14 . 1 1 13 13 SER HA H 13 4.660 4.660 4.372 0.288 19823
412 1 14 . 1 1 13 13 SER H H 13 7.669 7.669 7.579 0.091 19823
413 1 14 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.278 0.208 19823
414 1 14 . 1 1 14 14 GLN H H 14 8.919 8.919 8.272 0.647 19823
415 1 14 . 1 1 15 15 THR HA H 15 4.646 4.646 4.562 0.084 19823
416 1 14 . 1 1 15 15 THR H H 15 7.464 7.464 7.250 0.214 19823
417 1 14 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.938 0.197 19823
418 1 14 . 1 1 16 16 TYR H H 16 8.053 8.053 7.890 0.163 19823
419 1 14 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.042 0.445 19823
420 1 14 . 1 1 17 17 TRP H H 17 9.348 9.348 8.178 1.170 19823
421 1 15 . 1 1 2 2 ILE HA H 2 4.891 4.891 4.559 0.332 19823
422 1 15 . 1 1 2 2 ILE H H 2 9.084 9.084 7.882 1.202 19823
423 1 15 . 1 1 3 3 GLY H H 3 8.699 8.699 8.079 0.620 19823
424 1 15 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.720 0.430 19823
425 1 15 . 1 1 4 4 ASP H H 4 8.972 8.972 8.639 0.333 19823
426 1 15 . 1 1 5 5 SER HA H 5 3.235 3.235 4.310 -1.075 19823
427 1 15 . 1 1 5 5 SER H H 5 7.597 7.597 7.659 -0.062 19823
428 1 15 . 1 1 6 6 GLY H H 6 8.185 8.185 8.322 -0.137 19823
429 1 15 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.621 0.217 19823
430 1 15 . 1 1 7 7 LEU H H 7 9.402 9.402 7.917 1.485 19823
431 1 15 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.930 0.073 19823
432 1 15 . 1 1 8 8 ARG H H 8 8.869 8.869 8.763 0.106 19823
433 1 15 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.701 -0.319 19823
434 1 15 . 1 1 9 9 GLU H H 9 7.985 7.985 8.053 -0.068 19823
435 1 15 . 1 1 10 10 SER HA H 10 4.685 4.685 4.747 -0.062 19823
436 1 15 . 1 1 10 10 SER H H 10 7.851 7.851 7.578 0.273 19823
437 1 15 . 1 1 11 11 MET HA H 11 4.569 4.569 4.259 0.310 19823
438 1 15 . 1 1 11 11 MET H H 11 8.899 8.899 8.419 0.480 19823
439 1 15 . 1 1 12 12 SER HA H 12 4.724 4.724 4.407 0.317 19823
440 1 15 . 1 1 12 12 SER H H 12 8.304 8.304 7.873 0.431 19823
441 1 15 . 1 1 13 13 SER HA H 13 4.660 4.660 4.307 0.353 19823
442 1 15 . 1 1 13 13 SER H H 13 7.669 7.669 7.594 0.075 19823
443 1 15 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.265 0.221 19823
444 1 15 . 1 1 14 14 GLN H H 14 8.919 8.919 8.359 0.560 19823
445 1 15 . 1 1 15 15 THR HA H 15 4.646 4.646 4.492 0.154 19823
446 1 15 . 1 1 15 15 THR H H 15 7.464 7.464 7.377 0.087 19823
447 1 15 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.977 0.158 19823
448 1 15 . 1 1 16 16 TYR H H 16 8.053 8.053 7.864 0.189 19823
449 1 15 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.046 0.441 19823
450 1 15 . 1 1 17 17 TRP H H 17 9.348 9.348 8.210 1.138 19823
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 19823
2 1 1 "Average Difference" HA 18 0.396 -0.055 0.404 19823
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19823
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19823
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19823
6 1 1 "Average Difference" HN 16 0.597 -0.363 0.490 19823
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19823
8 1 2 "Average Difference" HA 18 0.389 -0.064 0.395 19823
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19823
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19823
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19823
12 1 2 "Average Difference" HN 16 0.596 -0.392 0.464 19823
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19823
14 1 3 "Average Difference" HA 18 0.414 -0.068 0.421 19823
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19823
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19823
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19823
18 1 3 "Average Difference" HN 16 0.633 -0.374 0.528 19823
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19823
20 1 4 "Average Difference" HA 18 0.401 -0.070 0.406 19823
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19823
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19823
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19823
24 1 4 "Average Difference" HN 16 0.617 -0.368 0.512 19823
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19823
26 1 5 "Average Difference" HA 18 0.407 -0.083 0.411 19823
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19823
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19823
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19823
30 1 5 "Average Difference" HN 16 0.622 -0.406 0.486 19823
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19823
32 1 6 "Average Difference" HA 18 0.397 -0.064 0.403 19823
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19823
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19823
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19823
36 1 6 "Average Difference" HN 16 0.631 -0.365 0.532 19823
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19823
38 1 7 "Average Difference" HA 18 0.419 -0.085 0.422 19823
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19823
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19823
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19823
42 1 7 "Average Difference" HN 16 0.651 -0.380 0.546 19823
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19823
44 1 8 "Average Difference" HA 18 0.405 -0.066 0.412 19823
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19823
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19823
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19823
48 1 8 "Average Difference" HN 16 0.648 -0.342 0.568 19823
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19823
50 1 9 "Average Difference" HA 18 0.408 -0.076 0.412 19823
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19823
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19823
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19823
54 1 9 "Average Difference" HN 16 0.602 -0.316 0.529 19823
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19823
56 1 10 "Average Difference" HA 18 0.395 -0.074 0.399 19823
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19823
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19823
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19823
60 1 10 "Average Difference" HN 16 0.629 -0.380 0.518 19823
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19823
62 1 11 "Average Difference" HA 18 0.405 -0.080 0.408 19823
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19823
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19823
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19823
66 1 11 "Average Difference" HN 16 0.626 -0.416 0.483 19823
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19823
68 1 12 "Average Difference" HA 18 0.398 -0.052 0.406 19823
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19823
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19823
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19823
72 1 12 "Average Difference" HN 16 0.590 -0.374 0.471 19823
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19823
74 1 13 "Average Difference" HA 18 0.416 -0.081 0.420 19823
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19823
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19823
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19823
78 1 13 "Average Difference" HN 16 0.645 -0.378 0.539 19823
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19823
80 1 14 "Average Difference" HA 18 0.396 -0.064 0.402 19823
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19823
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19823
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19823
84 1 14 "Average Difference" HN 16 0.617 -0.407 0.479 19823
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19823
86 1 15 "Average Difference" HA 18 0.406 -0.069 0.412 19823
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19823
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19823
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19823
90 1 15 "Average Difference" HN 16 0.629 -0.420 0.484 19823
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 19823
_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 ILE HA H 2 4.891 4.891 4.596 0.295 19823
2 1 . 1 1 2 2 ILE H H 2 9.084 9.084 7.932 1.152 19823
3 1 . 1 1 3 3 GLY H H 3 8.699 8.699 8.083 0.616 19823
4 1 . 1 1 4 4 ASP HA H 4 5.150 5.150 4.734 0.416 19823
5 1 . 1 1 4 4 ASP H H 4 8.972 8.972 8.616 0.356 19823
6 1 . 1 1 5 5 SER HA H 5 3.235 3.235 4.313 -1.078 19823
7 1 . 1 1 5 5 SER H H 5 7.597 7.597 7.690 -0.093 19823
8 1 . 1 1 6 6 GLY H H 6 8.185 8.185 8.340 -0.155 19823
9 1 . 1 1 7 7 LEU HA H 7 4.838 4.838 4.626 0.212 19823
10 1 . 1 1 7 7 LEU H H 7 9.402 9.402 7.927 1.475 19823
11 1 . 1 1 8 8 ARG HA H 8 4.003 4.003 3.778 0.225 19823
12 1 . 1 1 8 8 ARG H H 8 8.869 8.869 8.780 0.089 19823
13 1 . 1 1 9 9 GLU HA H 9 3.382 3.382 3.755 -0.373 19823
14 1 . 1 1 9 9 GLU H H 9 7.985 7.985 8.166 -0.181 19823
15 1 . 1 1 10 10 SER HA H 10 4.685 4.685 4.668 0.017 19823
16 1 . 1 1 10 10 SER H H 10 7.851 7.851 7.611 0.240 19823
17 1 . 1 1 11 11 MET HA H 11 4.569 4.569 4.333 0.236 19823
18 1 . 1 1 11 11 MET H H 11 8.899 8.899 8.537 0.362 19823
19 1 . 1 1 12 12 SER HA H 12 4.724 4.724 4.420 0.304 19823
20 1 . 1 1 12 12 SER H H 12 8.304 8.304 7.951 0.353 19823
21 1 . 1 1 13 13 SER HA H 13 4.660 4.660 4.364 0.296 19823
22 1 . 1 1 13 13 SER H H 13 7.669 7.669 7.787 -0.118 19823
23 1 . 1 1 14 14 GLN HA H 14 4.486 4.486 4.315 0.171 19823
24 1 . 1 1 14 14 GLN H H 14 8.919 8.919 8.436 0.483 19823
25 1 . 1 1 15 15 THR HA H 15 4.646 4.646 4.525 0.121 19823
26 1 . 1 1 15 15 THR H H 15 7.464 7.464 7.273 0.191 19823
27 1 . 1 1 16 16 TYR HA H 16 5.135 5.135 4.940 0.195 19823
28 1 . 1 1 16 16 TYR H H 16 8.053 8.053 7.924 0.129 19823
29 1 . 1 1 17 17 TRP HA H 17 5.487 5.487 5.034 0.453 19823
30 1 . 1 1 17 17 TRP H H 17 9.348 9.348 8.187 1.161 19823
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