data_25569
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25569
_Entry.PDB_ID 2N1O
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 25569
_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 8 8 PRO HA H 8 4.610 4.610 4.619 -0.009 25569
2 1 1 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.245 -0.087 25569
3 1 1 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.763 0.332 25569
4 1 1 . 1 1 11 11 TRP H H 11 7.151 7.151 7.884 -0.733 25569
5 1 1 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.745 -0.104 25569
6 1 1 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.499 -0.181 25569
7 1 1 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.499 -0.395 25569
8 1 1 . 1 1 15 15 MET HA H 15 4.674 4.674 4.876 -0.202 25569
9 1 1 . 1 1 16 16 SER HA H 16 4.856 4.856 4.638 0.218 25569
10 1 1 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.055 -0.053 25569
11 1 1 . 1 1 18 18 SER HA H 18 4.526 4.526 4.389 0.137 25569
12 1 1 . 1 1 19 19 SER HA H 19 4.163 4.163 4.614 -0.451 25569
13 1 1 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.677 -0.448 25569
14 1 1 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.428 0.033 25569
15 1 1 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.830 -0.169 25569
16 1 1 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.185 -0.103 25569
17 1 1 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.080 0.306 25569
18 1 1 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.876 -0.709 25569
19 1 1 . 1 1 26 26 ASN H H 26 7.910 7.910 8.010 -0.100 25569
20 1 1 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.444 -0.590 25569
21 1 1 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.940 -0.337 25569
22 1 1 . 1 1 29 29 THR HA H 29 3.859 3.859 4.115 -0.256 25569
23 1 1 . 1 1 29 29 THR H H 29 7.179 7.179 7.535 -0.356 25569
24 1 1 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.227 -0.317 25569
25 1 1 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.529 -0.348 25569
26 1 1 . 1 1 32 32 SER HA H 32 5.762 5.762 5.381 0.381 25569
27 1 1 . 1 1 32 32 SER H H 32 8.063 8.063 8.600 -0.537 25569
28 1 1 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.964 -0.297 25569
29 1 1 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.561 0.103 25569
30 1 1 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.476 -0.351 25569
31 1 1 . 1 1 36 36 ARG HA H 36 2.466 2.466 3.991 -1.525 25569
32 1 1 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.197 -0.531 25569
33 1 1 . 1 1 38 38 SER HA H 38 4.098 4.098 4.315 -0.217 25569
34 1 2 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.866 -0.256 25569
35 1 2 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.251 -0.093 25569
36 1 2 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.617 0.478 25569
37 1 2 . 1 1 11 11 TRP H H 11 7.151 7.151 8.402 -1.251 25569
38 1 2 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.686 -0.045 25569
39 1 2 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.475 -0.157 25569
40 1 2 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.563 -0.459 25569
41 1 2 . 1 1 15 15 MET HA H 15 4.674 4.674 4.718 -0.044 25569
42 1 2 . 1 1 16 16 SER HA H 16 4.856 4.856 4.309 0.547 25569
43 1 2 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.188 -0.186 25569
44 1 2 . 1 1 18 18 SER HA H 18 4.526 4.526 4.443 0.083 25569
45 1 2 . 1 1 19 19 SER HA H 19 4.163 4.163 4.607 -0.444 25569
46 1 2 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.597 -0.368 25569
47 1 2 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.548 -0.087 25569
48 1 2 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.477 0.184 25569
49 1 2 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.918 0.164 25569
50 1 2 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.334 0.052 25569
51 1 2 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.380 -0.213 25569
52 1 2 . 1 1 26 26 ASN H H 26 7.910 7.910 7.847 0.063 25569
53 1 2 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.327 -0.473 25569
54 1 2 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.863 -0.260 25569
55 1 2 . 1 1 29 29 THR HA H 29 3.859 3.859 4.047 -0.188 25569
56 1 2 . 1 1 29 29 THR H H 29 7.179 7.179 7.155 0.024 25569
57 1 2 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.216 -0.306 25569
58 1 2 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.554 -0.373 25569
59 1 2 . 1 1 32 32 SER HA H 32 5.762 5.762 5.189 0.573 25569
60 1 2 . 1 1 32 32 SER H H 32 8.063 8.063 8.720 -0.657 25569
61 1 2 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.179 -0.512 25569
62 1 2 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.609 0.055 25569
63 1 2 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.507 -0.382 25569
64 1 2 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.487 -2.021 25569
65 1 2 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.214 -0.548 25569
66 1 2 . 1 1 38 38 SER HA H 38 4.098 4.098 4.445 -0.347 25569
67 1 3 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.733 -0.123 25569
68 1 3 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.252 -0.094 25569
69 1 3 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.743 0.352 25569
70 1 3 . 1 1 11 11 TRP H H 11 7.151 7.151 7.781 -0.630 25569
71 1 3 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.730 -0.089 25569
72 1 3 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.346 -0.028 25569
73 1 3 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.490 -0.386 25569
74 1 3 . 1 1 15 15 MET HA H 15 4.674 4.674 4.985 -0.311 25569
75 1 3 . 1 1 16 16 SER HA H 16 4.856 4.856 4.617 0.239 25569
76 1 3 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.202 -0.200 25569
77 1 3 . 1 1 18 18 SER HA H 18 4.526 4.526 4.419 0.107 25569
78 1 3 . 1 1 19 19 SER HA H 19 4.163 4.163 4.667 -0.504 25569
79 1 3 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.726 -0.497 25569
80 1 3 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.533 -0.072 25569
81 1 3 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.686 -0.025 25569
82 1 3 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.119 -0.037 25569
83 1 3 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.005 0.381 25569
84 1 3 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.450 -0.283 25569
85 1 3 . 1 1 26 26 ASN H H 26 7.910 7.910 8.238 -0.328 25569
86 1 3 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.495 -0.641 25569
87 1 3 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.182 -0.579 25569
88 1 3 . 1 1 29 29 THR HA H 29 3.859 3.859 4.207 -0.348 25569
89 1 3 . 1 1 29 29 THR H H 29 7.179 7.179 8.837 -1.658 25569
90 1 3 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.187 -0.277 25569
91 1 3 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.589 -0.408 25569
92 1 3 . 1 1 32 32 SER HA H 32 5.762 5.762 4.974 0.788 25569
93 1 3 . 1 1 32 32 SER H H 32 8.063 8.063 8.740 -0.677 25569
94 1 3 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.003 -0.336 25569
95 1 3 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.622 0.042 25569
96 1 3 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.341 -0.216 25569
97 1 3 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.243 -1.777 25569
98 1 3 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.074 -0.408 25569
99 1 3 . 1 1 38 38 SER HA H 38 4.098 4.098 4.363 -0.265 25569
100 1 4 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.455 0.155 25569
101 1 4 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.292 -0.134 25569
102 1 4 . 1 1 11 11 TRP HA H 11 5.095 5.095 5.015 0.080 25569
103 1 4 . 1 1 11 11 TRP H H 11 7.151 7.151 7.477 -0.326 25569
104 1 4 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.662 -0.021 25569
105 1 4 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.335 -0.017 25569
106 1 4 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.467 -0.363 25569
107 1 4 . 1 1 15 15 MET HA H 15 4.674 4.674 4.748 -0.074 25569
108 1 4 . 1 1 16 16 SER HA H 16 4.856 4.856 4.426 0.430 25569
109 1 4 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.106 -0.104 25569
110 1 4 . 1 1 18 18 SER HA H 18 4.526 4.526 4.410 0.116 25569
111 1 4 . 1 1 19 19 SER HA H 19 4.163 4.163 4.585 -0.422 25569
112 1 4 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.629 -0.400 25569
113 1 4 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.258 0.203 25569
114 1 4 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.606 0.055 25569
115 1 4 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.067 0.015 25569
116 1 4 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.825 0.561 25569
117 1 4 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.322 -0.155 25569
118 1 4 . 1 1 26 26 ASN H H 26 7.910 7.910 8.049 -0.139 25569
119 1 4 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.506 -0.652 25569
120 1 4 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.118 -0.515 25569
121 1 4 . 1 1 29 29 THR HA H 29 3.859 3.859 4.256 -0.397 25569
122 1 4 . 1 1 29 29 THR H H 29 7.179 7.179 8.628 -1.449 25569
123 1 4 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.197 -0.287 25569
124 1 4 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.529 -0.348 25569
125 1 4 . 1 1 32 32 SER HA H 32 5.762 5.762 4.884 0.878 25569
126 1 4 . 1 1 32 32 SER H H 32 8.063 8.063 8.812 -0.749 25569
127 1 4 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.926 -0.259 25569
128 1 4 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.927 -0.263 25569
129 1 4 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.550 -0.425 25569
130 1 4 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.367 -1.901 25569
131 1 4 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.529 -0.863 25569
132 1 4 . 1 1 38 38 SER HA H 38 4.098 4.098 4.380 -0.282 25569
133 1 5 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.430 0.180 25569
134 1 5 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.331 -0.173 25569
135 1 5 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.719 0.376 25569
136 1 5 . 1 1 11 11 TRP H H 11 7.151 7.151 7.525 -0.374 25569
137 1 5 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.599 0.042 25569
138 1 5 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.376 -0.058 25569
139 1 5 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.444 -0.340 25569
140 1 5 . 1 1 15 15 MET HA H 15 4.674 4.674 4.851 -0.177 25569
141 1 5 . 1 1 16 16 SER HA H 16 4.856 4.856 4.673 0.183 25569
142 1 5 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.174 -0.172 25569
143 1 5 . 1 1 18 18 SER HA H 18 4.526 4.526 4.419 0.107 25569
144 1 5 . 1 1 19 19 SER HA H 19 4.163 4.163 4.542 -0.379 25569
145 1 5 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.645 -0.416 25569
146 1 5 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.443 0.018 25569
147 1 5 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.505 0.156 25569
148 1 5 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.099 -0.017 25569
149 1 5 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.130 0.256 25569
150 1 5 . 1 1 26 26 ASN HA H 26 4.167 4.167 5.292 -1.125 25569
151 1 5 . 1 1 26 26 ASN H H 26 7.910 7.910 7.930 -0.020 25569
152 1 5 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.507 -0.653 25569
153 1 5 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.008 -0.405 25569
154 1 5 . 1 1 29 29 THR HA H 29 3.859 3.859 4.192 -0.333 25569
155 1 5 . 1 1 29 29 THR H H 29 7.179 7.179 7.648 -0.469 25569
156 1 5 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.139 -0.229 25569
157 1 5 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.442 -0.261 25569
158 1 5 . 1 1 32 32 SER HA H 32 5.762 5.762 4.748 1.014 25569
159 1 5 . 1 1 32 32 SER H H 32 8.063 8.063 8.609 -0.546 25569
160 1 5 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.910 -0.243 25569
161 1 5 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.535 0.129 25569
162 1 5 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.339 -0.214 25569
163 1 5 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.364 -1.898 25569
164 1 5 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.121 -0.455 25569
165 1 5 . 1 1 38 38 SER HA H 38 4.098 4.098 4.344 -0.246 25569
166 1 7 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.653 -0.043 25569
167 1 7 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.256 -0.098 25569
168 1 7 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.789 0.306 25569
169 1 7 . 1 1 11 11 TRP H H 11 7.151 7.151 7.803 -0.652 25569
170 1 7 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.780 -0.139 25569
171 1 7 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.379 -0.061 25569
172 1 7 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.414 -0.310 25569
173 1 7 . 1 1 15 15 MET HA H 15 4.674 4.674 4.714 -0.040 25569
174 1 7 . 1 1 16 16 SER HA H 16 4.856 4.856 4.664 0.192 25569
175 1 7 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.182 -0.180 25569
176 1 7 . 1 1 18 18 SER HA H 18 4.526 4.526 4.365 0.161 25569
177 1 7 . 1 1 19 19 SER HA H 19 4.163 4.163 4.633 -0.470 25569
178 1 7 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.726 -0.497 25569
179 1 7 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.484 -0.023 25569
180 1 7 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.888 -0.227 25569
181 1 7 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.882 0.200 25569
182 1 7 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.942 0.444 25569
183 1 7 . 1 1 26 26 ASN HA H 26 4.167 4.167 5.010 -0.843 25569
184 1 7 . 1 1 26 26 ASN H H 26 7.910 7.910 8.049 -0.139 25569
185 1 7 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.476 -0.622 25569
186 1 7 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.921 -0.318 25569
187 1 7 . 1 1 29 29 THR HA H 29 3.859 3.859 4.198 -0.339 25569
188 1 7 . 1 1 29 29 THR H H 29 7.179 7.179 8.439 -1.260 25569
189 1 7 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.118 -0.208 25569
190 1 7 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.530 -0.349 25569
191 1 7 . 1 1 32 32 SER HA H 32 5.762 5.762 4.889 0.873 25569
192 1 7 . 1 1 32 32 SER H H 32 8.063 8.063 8.632 -0.569 25569
193 1 7 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.875 -0.208 25569
194 1 7 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.607 0.057 25569
195 1 7 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.430 -0.305 25569
196 1 7 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.111 -1.645 25569
197 1 7 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.084 -0.418 25569
198 1 7 . 1 1 38 38 SER HA H 38 4.098 4.098 4.547 -0.449 25569
199 1 8 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.717 -0.107 25569
200 1 8 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.277 -0.119 25569
201 1 8 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.688 0.407 25569
202 1 8 . 1 1 11 11 TRP H H 11 7.151 7.151 7.614 -0.463 25569
203 1 8 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.615 0.026 25569
204 1 8 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.521 -0.203 25569
205 1 8 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.433 -0.329 25569
206 1 8 . 1 1 15 15 MET HA H 15 4.674 4.674 4.823 -0.149 25569
207 1 8 . 1 1 16 16 SER HA H 16 4.856 4.856 4.452 0.404 25569
208 1 8 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.146 -0.144 25569
209 1 8 . 1 1 18 18 SER HA H 18 4.526 4.526 4.499 0.027 25569
210 1 8 . 1 1 19 19 SER HA H 19 4.163 4.163 4.552 -0.389 25569
211 1 8 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.641 -0.412 25569
212 1 8 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.201 0.260 25569
213 1 8 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.476 0.184 25569
214 1 8 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.323 -0.241 25569
215 1 8 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.836 0.550 25569
216 1 8 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.934 -0.767 25569
217 1 8 . 1 1 26 26 ASN H H 26 7.910 7.910 8.104 -0.194 25569
218 1 8 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.538 -0.684 25569
219 1 8 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.176 -0.573 25569
220 1 8 . 1 1 29 29 THR HA H 29 3.859 3.859 4.177 -0.318 25569
221 1 8 . 1 1 29 29 THR H H 29 7.179 7.179 8.289 -1.110 25569
222 1 8 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.170 -0.260 25569
223 1 8 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.681 -0.500 25569
224 1 8 . 1 1 32 32 SER HA H 32 5.762 5.762 4.972 0.790 25569
225 1 8 . 1 1 32 32 SER H H 32 8.063 8.063 8.783 -0.720 25569
226 1 8 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.039 -0.372 25569
227 1 8 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.567 0.097 25569
228 1 8 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.396 -0.271 25569
229 1 8 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.402 -1.936 25569
230 1 8 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.099 -0.433 25569
231 1 8 . 1 1 38 38 SER HA H 38 4.098 4.098 4.463 -0.365 25569
232 1 9 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.392 0.218 25569
233 1 9 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.302 -0.144 25569
234 1 9 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.854 0.241 25569
235 1 9 . 1 1 11 11 TRP H H 11 7.151 7.151 8.374 -1.223 25569
236 1 9 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.777 -0.136 25569
237 1 9 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.494 -0.176 25569
238 1 9 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.526 -0.422 25569
239 1 9 . 1 1 15 15 MET HA H 15 4.674 4.674 5.003 -0.329 25569
240 1 9 . 1 1 16 16 SER HA H 16 4.856 4.856 4.723 0.133 25569
241 1 9 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.096 -0.094 25569
242 1 9 . 1 1 18 18 SER HA H 18 4.526 4.526 4.434 0.092 25569
243 1 9 . 1 1 19 19 SER HA H 19 4.163 4.163 4.509 -0.346 25569
244 1 9 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.675 -0.446 25569
245 1 9 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.427 0.034 25569
246 1 9 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.660 0.001 25569
247 1 9 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.991 0.091 25569
248 1 9 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.784 0.602 25569
249 1 9 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.827 -0.660 25569
250 1 9 . 1 1 26 26 ASN H H 26 7.910 7.910 7.961 -0.051 25569
251 1 9 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.631 -0.777 25569
252 1 9 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.109 -0.506 25569
253 1 9 . 1 1 29 29 THR HA H 29 3.859 3.859 4.222 -0.363 25569
254 1 9 . 1 1 29 29 THR H H 29 7.179 7.179 8.496 -1.317 25569
255 1 9 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.212 -0.302 25569
256 1 9 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.661 -0.480 25569
257 1 9 . 1 1 32 32 SER HA H 32 5.762 5.762 4.728 1.034 25569
258 1 9 . 1 1 32 32 SER H H 32 8.063 8.063 8.774 -0.711 25569
259 1 9 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.866 -0.199 25569
260 1 9 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.546 0.118 25569
261 1 9 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.402 -0.277 25569
262 1 9 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.777 -2.311 25569
263 1 9 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.187 -0.521 25569
264 1 9 . 1 1 38 38 SER HA H 38 4.098 4.098 4.423 -0.325 25569
265 1 10 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.730 -0.120 25569
266 1 10 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.255 -0.097 25569
267 1 10 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.740 0.355 25569
268 1 10 . 1 1 11 11 TRP H H 11 7.151 7.151 7.748 -0.597 25569
269 1 10 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.727 -0.086 25569
270 1 10 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.340 -0.022 25569
271 1 10 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.472 -0.368 25569
272 1 10 . 1 1 15 15 MET HA H 15 4.674 4.674 4.836 -0.162 25569
273 1 10 . 1 1 16 16 SER HA H 16 4.856 4.856 4.740 0.116 25569
274 1 10 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.137 -0.135 25569
275 1 10 . 1 1 18 18 SER HA H 18 4.526 4.526 4.487 0.039 25569
276 1 10 . 1 1 19 19 SER HA H 19 4.163 4.163 4.594 -0.431 25569
277 1 10 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.769 -0.540 25569
278 1 10 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.396 0.065 25569
279 1 10 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.700 -0.039 25569
280 1 10 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.009 0.073 25569
281 1 10 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.887 0.499 25569
282 1 10 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.768 -0.601 25569
283 1 10 . 1 1 26 26 ASN H H 26 7.910 7.910 8.161 -0.251 25569
284 1 10 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.370 -0.516 25569
285 1 10 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.129 -0.526 25569
286 1 10 . 1 1 29 29 THR HA H 29 3.859 3.859 4.244 -0.385 25569
287 1 10 . 1 1 29 29 THR H H 29 7.179 7.179 8.549 -1.370 25569
288 1 10 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.071 -0.161 25569
289 1 10 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.525 -0.344 25569
290 1 10 . 1 1 32 32 SER HA H 32 5.762 5.762 4.948 0.814 25569
291 1 10 . 1 1 32 32 SER H H 32 8.063 8.063 8.678 -0.615 25569
292 1 10 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.010 -0.343 25569
293 1 10 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.586 0.078 25569
294 1 10 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.505 -0.380 25569
295 1 10 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.408 -1.942 25569
296 1 10 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.078 -0.412 25569
297 1 10 . 1 1 38 38 SER HA H 38 4.098 4.098 4.320 -0.222 25569
298 1 11 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.841 -0.231 25569
299 1 11 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.308 -0.150 25569
300 1 11 . 1 1 11 11 TRP HA H 11 5.095 5.095 5.380 -0.285 25569
301 1 11 . 1 1 11 11 TRP H H 11 7.151 7.151 8.244 -1.093 25569
302 1 11 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.799 -0.158 25569
303 1 11 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.656 -0.338 25569
304 1 11 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.375 -0.271 25569
305 1 11 . 1 1 15 15 MET HA H 15 4.674 4.674 4.989 -0.315 25569
306 1 11 . 1 1 16 16 SER HA H 16 4.856 4.856 4.649 0.207 25569
307 1 11 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.147 -0.145 25569
308 1 11 . 1 1 18 18 SER HA H 18 4.526 4.526 4.358 0.168 25569
309 1 11 . 1 1 19 19 SER HA H 19 4.163 4.163 4.613 -0.450 25569
310 1 11 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.672 -0.443 25569
311 1 11 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.649 -0.188 25569
312 1 11 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.550 0.111 25569
313 1 11 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.925 0.157 25569
314 1 11 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.933 0.453 25569
315 1 11 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.541 -0.374 25569
316 1 11 . 1 1 26 26 ASN H H 26 7.910 7.910 8.190 -0.280 25569
317 1 11 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.281 -0.427 25569
318 1 11 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.075 -0.472 25569
319 1 11 . 1 1 29 29 THR HA H 29 3.859 3.859 4.141 -0.282 25569
320 1 11 . 1 1 29 29 THR H H 29 7.179 7.179 7.721 -0.542 25569
321 1 11 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.227 -0.317 25569
322 1 11 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.561 -0.380 25569
323 1 11 . 1 1 32 32 SER HA H 32 5.762 5.762 4.952 0.810 25569
324 1 11 . 1 1 32 32 SER H H 32 8.063 8.063 8.501 -0.438 25569
325 1 11 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.953 -0.286 25569
326 1 11 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.604 0.060 25569
327 1 11 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.646 -0.521 25569
328 1 11 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.283 -1.817 25569
329 1 11 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.129 -0.463 25569
330 1 11 . 1 1 38 38 SER HA H 38 4.098 4.098 4.464 -0.366 25569
331 1 12 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.459 0.151 25569
332 1 12 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.345 -0.187 25569
333 1 12 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.843 0.252 25569
334 1 12 . 1 1 11 11 TRP H H 11 7.151 7.151 8.020 -0.869 25569
335 1 12 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.810 -0.169 25569
336 1 12 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.341 -0.023 25569
337 1 12 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.347 -0.243 25569
338 1 12 . 1 1 15 15 MET HA H 15 4.674 4.674 4.658 0.016 25569
339 1 12 . 1 1 16 16 SER HA H 16 4.856 4.856 4.650 0.206 25569
340 1 12 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.172 -0.170 25569
341 1 12 . 1 1 18 18 SER HA H 18 4.526 4.526 4.502 0.024 25569
342 1 12 . 1 1 19 19 SER HA H 19 4.163 4.163 4.562 -0.399 25569
343 1 12 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.725 -0.496 25569
344 1 12 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.242 0.219 25569
345 1 12 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.806 -0.145 25569
346 1 12 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.891 0.191 25569
347 1 12 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.920 0.466 25569
348 1 12 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.851 -0.684 25569
349 1 12 . 1 1 26 26 ASN H H 26 7.910 7.910 7.874 0.036 25569
350 1 12 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.560 -0.706 25569
351 1 12 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.203 -0.600 25569
352 1 12 . 1 1 29 29 THR HA H 29 3.859 3.859 4.141 -0.282 25569
353 1 12 . 1 1 29 29 THR H H 29 7.179 7.179 7.764 -0.585 25569
354 1 12 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.199 -0.289 25569
355 1 12 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.558 -0.377 25569
356 1 12 . 1 1 32 32 SER HA H 32 5.762 5.762 4.876 0.886 25569
357 1 12 . 1 1 32 32 SER H H 32 8.063 8.063 8.792 -0.729 25569
358 1 12 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.100 -0.433 25569
359 1 12 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.736 -0.072 25569
360 1 12 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.312 -0.187 25569
361 1 12 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.282 -1.816 25569
362 1 12 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.103 -0.437 25569
363 1 12 . 1 1 38 38 SER HA H 38 4.098 4.098 4.537 -0.439 25569
364 1 13 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.721 -0.111 25569
365 1 13 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.264 -0.106 25569
366 1 13 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.819 0.276 25569
367 1 13 . 1 1 11 11 TRP H H 11 7.151 7.151 8.277 -1.126 25569
368 1 13 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.699 -0.058 25569
369 1 13 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.584 -0.266 25569
370 1 13 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.352 -0.248 25569
371 1 13 . 1 1 15 15 MET HA H 15 4.674 4.674 4.787 -0.113 25569
372 1 13 . 1 1 16 16 SER HA H 16 4.856 4.856 4.552 0.304 25569
373 1 13 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.131 -0.129 25569
374 1 13 . 1 1 18 18 SER HA H 18 4.526 4.526 4.443 0.083 25569
375 1 13 . 1 1 19 19 SER HA H 19 4.163 4.163 4.574 -0.411 25569
376 1 13 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.690 -0.461 25569
377 1 13 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.159 0.302 25569
378 1 13 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.438 0.223 25569
379 1 13 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.743 0.339 25569
380 1 13 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.956 0.430 25569
381 1 13 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.608 -0.441 25569
382 1 13 . 1 1 26 26 ASN H H 26 7.910 7.910 7.845 0.065 25569
383 1 13 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.432 -0.578 25569
384 1 13 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.911 -0.308 25569
385 1 13 . 1 1 29 29 THR HA H 29 3.859 3.859 4.084 -0.225 25569
386 1 13 . 1 1 29 29 THR H H 29 7.179 7.179 7.294 -0.115 25569
387 1 13 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.222 -0.312 25569
388 1 13 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.659 -0.478 25569
389 1 13 . 1 1 32 32 SER HA H 32 5.762 5.762 5.295 0.467 25569
390 1 13 . 1 1 32 32 SER H H 32 8.063 8.063 8.680 -0.617 25569
391 1 13 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.070 -0.403 25569
392 1 13 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.545 0.119 25569
393 1 13 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.363 -0.238 25569
394 1 13 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.491 -2.025 25569
395 1 13 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.139 -0.473 25569
396 1 13 . 1 1 38 38 SER HA H 38 4.098 4.098 4.467 -0.369 25569
397 1 14 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.744 -0.134 25569
398 1 14 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.271 -0.113 25569
399 1 14 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.851 0.244 25569
400 1 14 . 1 1 11 11 TRP H H 11 7.151 7.151 7.676 -0.525 25569
401 1 14 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.685 -0.044 25569
402 1 14 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.318 0.000 25569
403 1 14 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.479 -0.375 25569
404 1 14 . 1 1 15 15 MET HA H 15 4.674 4.674 4.400 0.274 25569
405 1 14 . 1 1 16 16 SER HA H 16 4.856 4.856 4.646 0.210 25569
406 1 14 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.136 -0.134 25569
407 1 14 . 1 1 18 18 SER HA H 18 4.526 4.526 4.382 0.144 25569
408 1 14 . 1 1 19 19 SER HA H 19 4.163 4.163 4.575 -0.412 25569
409 1 14 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.583 -0.354 25569
410 1 14 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.381 0.080 25569
411 1 14 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.768 -0.107 25569
412 1 14 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.145 -0.063 25569
413 1 14 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.113 0.273 25569
414 1 14 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.774 -0.607 25569
415 1 14 . 1 1 26 26 ASN H H 26 7.910 7.910 8.072 -0.163 25569
416 1 14 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.576 -0.722 25569
417 1 14 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.117 -0.514 25569
418 1 14 . 1 1 29 29 THR HA H 29 3.859 3.859 4.114 -0.255 25569
419 1 14 . 1 1 29 29 THR H H 29 7.179 7.179 8.660 -1.481 25569
420 1 14 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.195 -0.285 25569
421 1 14 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.671 -0.490 25569
422 1 14 . 1 1 32 32 SER HA H 32 5.762 5.762 5.297 0.465 25569
423 1 14 . 1 1 32 32 SER H H 32 8.063 8.063 8.614 -0.551 25569
424 1 14 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.939 -0.272 25569
425 1 14 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.582 0.082 25569
426 1 14 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.434 -0.309 25569
427 1 14 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.305 -1.839 25569
428 1 14 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.098 -0.432 25569
429 1 14 . 1 1 38 38 SER HA H 38 4.098 4.098 4.484 -0.386 25569
430 1 15 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.867 -0.257 25569
431 1 15 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.268 -0.110 25569
432 1 15 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.851 0.244 25569
433 1 15 . 1 1 11 11 TRP H H 11 7.151 7.151 8.409 -1.258 25569
434 1 15 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.685 -0.044 25569
435 1 15 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.391 -0.073 25569
436 1 15 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.425 -0.321 25569
437 1 15 . 1 1 15 15 MET HA H 15 4.674 4.674 4.599 0.075 25569
438 1 15 . 1 1 16 16 SER HA H 16 4.856 4.856 4.762 0.094 25569
439 1 15 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.172 -0.170 25569
440 1 15 . 1 1 18 18 SER HA H 18 4.526 4.526 4.373 0.153 25569
441 1 15 . 1 1 19 19 SER HA H 19 4.163 4.163 4.587 -0.424 25569
442 1 15 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.605 -0.376 25569
443 1 15 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.880 -0.419 25569
444 1 15 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.597 0.064 25569
445 1 15 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.461 -0.379 25569
446 1 15 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.096 0.290 25569
447 1 15 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.910 -0.743 25569
448 1 15 . 1 1 26 26 ASN H H 26 7.910 7.910 8.487 -0.577 25569
449 1 15 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.479 -0.625 25569
450 1 15 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.932 -0.329 25569
451 1 15 . 1 1 29 29 THR HA H 29 3.859 3.859 4.094 -0.235 25569
452 1 15 . 1 1 29 29 THR H H 29 7.179 7.179 7.177 0.002 25569
453 1 15 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.185 -0.275 25569
454 1 15 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.680 -0.499 25569
455 1 15 . 1 1 32 32 SER HA H 32 5.762 5.762 4.977 0.785 25569
456 1 15 . 1 1 32 32 SER H H 32 8.063 8.063 8.511 -0.448 25569
457 1 15 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.967 -0.300 25569
458 1 15 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.546 0.118 25569
459 1 15 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.480 -0.355 25569
460 1 15 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.432 -1.966 25569
461 1 15 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.140 -0.474 25569
462 1 15 . 1 1 38 38 SER HA H 38 4.098 4.098 4.630 -0.532 25569
463 1 16 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.669 -0.059 25569
464 1 16 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.188 -0.030 25569
465 1 16 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.661 0.434 25569
466 1 16 . 1 1 11 11 TRP H H 11 7.151 7.151 7.747 -0.596 25569
467 1 16 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.753 -0.112 25569
468 1 16 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.637 -0.319 25569
469 1 16 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.494 -0.390 25569
470 1 16 . 1 1 15 15 MET HA H 15 4.674 4.674 4.791 -0.117 25569
471 1 16 . 1 1 16 16 SER HA H 16 4.856 4.856 4.641 0.215 25569
472 1 16 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.190 -0.188 25569
473 1 16 . 1 1 18 18 SER HA H 18 4.526 4.526 4.396 0.130 25569
474 1 16 . 1 1 19 19 SER HA H 19 4.163 4.163 4.567 -0.404 25569
475 1 16 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.709 -0.480 25569
476 1 16 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.460 0.001 25569
477 1 16 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.590 0.071 25569
478 1 16 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.355 -0.273 25569
479 1 16 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.947 0.439 25569
480 1 16 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.915 -0.748 25569
481 1 16 . 1 1 26 26 ASN H H 26 7.910 7.910 8.271 -0.361 25569
482 1 16 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.502 -0.648 25569
483 1 16 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.248 -0.645 25569
484 1 16 . 1 1 29 29 THR HA H 29 3.859 3.859 4.197 -0.338 25569
485 1 16 . 1 1 29 29 THR H H 29 7.179 7.179 8.572 -1.393 25569
486 1 16 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.198 -0.288 25569
487 1 16 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.586 -0.405 25569
488 1 16 . 1 1 32 32 SER HA H 32 5.762 5.762 5.028 0.734 25569
489 1 16 . 1 1 32 32 SER H H 32 8.063 8.063 8.715 -0.652 25569
490 1 16 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.979 -0.312 25569
491 1 16 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.571 0.093 25569
492 1 16 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.584 -0.459 25569
493 1 16 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.474 -2.008 25569
494 1 16 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.074 -0.408 25569
495 1 16 . 1 1 38 38 SER HA H 38 4.098 4.098 4.102 -0.004 25569
496 1 17 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.728 -0.118 25569
497 1 17 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.255 -0.097 25569
498 1 17 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.936 0.159 25569
499 1 17 . 1 1 11 11 TRP H H 11 7.151 7.151 7.811 -0.660 25569
500 1 17 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.682 -0.041 25569
501 1 17 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.487 -0.169 25569
502 1 17 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.387 -0.283 25569
503 1 17 . 1 1 15 15 MET HA H 15 4.674 4.674 4.599 0.075 25569
504 1 17 . 1 1 16 16 SER HA H 16 4.856 4.856 4.630 0.226 25569
505 1 17 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.128 -0.126 25569
506 1 17 . 1 1 18 18 SER HA H 18 4.526 4.526 4.478 0.048 25569
507 1 17 . 1 1 19 19 SER HA H 19 4.163 4.163 4.536 -0.373 25569
508 1 17 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.504 -0.275 25569
509 1 17 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.437 0.024 25569
510 1 17 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.720 -0.059 25569
511 1 17 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.236 -0.154 25569
512 1 17 . 1 1 25 25 PHE HA H 25 5.386 5.386 5.288 0.098 25569
513 1 17 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.694 -0.527 25569
514 1 17 . 1 1 26 26 ASN H H 26 7.910 7.910 8.504 -0.594 25569
515 1 17 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.200 -0.346 25569
516 1 17 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.007 -0.404 25569
517 1 17 . 1 1 29 29 THR HA H 29 3.859 3.859 4.143 -0.284 25569
518 1 17 . 1 1 29 29 THR H H 29 7.179 7.179 7.727 -0.548 25569
519 1 17 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.195 -0.285 25569
520 1 17 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.770 -0.589 25569
521 1 17 . 1 1 32 32 SER HA H 32 5.762 5.762 5.347 0.415 25569
522 1 17 . 1 1 32 32 SER H H 32 8.063 8.063 8.690 -0.627 25569
523 1 17 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.991 -0.324 25569
524 1 17 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.632 0.032 25569
525 1 17 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.471 -0.346 25569
526 1 17 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.287 -1.821 25569
527 1 17 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.281 -0.615 25569
528 1 17 . 1 1 38 38 SER HA H 38 4.098 4.098 4.403 -0.305 25569
529 1 18 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.758 -0.148 25569
530 1 18 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.253 -0.095 25569
531 1 18 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.780 0.315 25569
532 1 18 . 1 1 11 11 TRP H H 11 7.151 7.151 7.600 -0.449 25569
533 1 18 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.660 -0.019 25569
534 1 18 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.566 -0.248 25569
535 1 18 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.534 -0.430 25569
536 1 18 . 1 1 15 15 MET HA H 15 4.674 4.674 4.818 -0.144 25569
537 1 18 . 1 1 16 16 SER HA H 16 4.856 4.856 4.565 0.291 25569
538 1 18 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.169 -0.167 25569
539 1 18 . 1 1 18 18 SER HA H 18 4.526 4.526 4.401 0.125 25569
540 1 18 . 1 1 19 19 SER HA H 19 4.163 4.163 4.592 -0.429 25569
541 1 18 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.716 -0.487 25569
542 1 18 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.450 0.011 25569
543 1 18 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.663 -0.002 25569
544 1 18 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.140 -0.058 25569
545 1 18 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.893 0.493 25569
546 1 18 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.699 -0.532 25569
547 1 18 . 1 1 26 26 ASN H H 26 7.910 7.910 7.450 0.460 25569
548 1 18 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.311 -0.457 25569
549 1 18 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.912 -0.309 25569
550 1 18 . 1 1 29 29 THR HA H 29 3.859 3.859 4.075 -0.216 25569
551 1 18 . 1 1 29 29 THR H H 29 7.179 7.179 7.557 -0.378 25569
552 1 18 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.265 -0.355 25569
553 1 18 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.607 -0.426 25569
554 1 18 . 1 1 32 32 SER HA H 32 5.762 5.762 4.786 0.976 25569
555 1 18 . 1 1 32 32 SER H H 32 8.063 8.063 8.799 -0.736 25569
556 1 18 . 1 1 33 33 GLN HA H 33 4.667 4.667 5.149 -0.482 25569
557 1 18 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.597 0.067 25569
558 1 18 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.556 -0.431 25569
559 1 18 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.471 -2.005 25569
560 1 18 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.181 -0.515 25569
561 1 18 . 1 1 38 38 SER HA H 38 4.098 4.098 4.547 -0.449 25569
562 1 19 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.874 -0.264 25569
563 1 19 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.287 -0.129 25569
564 1 19 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.767 0.328 25569
565 1 19 . 1 1 11 11 TRP H H 11 7.151 7.151 8.524 -1.373 25569
566 1 19 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.670 -0.029 25569
567 1 19 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.421 -0.103 25569
568 1 19 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.519 -0.415 25569
569 1 19 . 1 1 15 15 MET HA H 15 4.674 4.674 4.779 -0.105 25569
570 1 19 . 1 1 16 16 SER HA H 16 4.856 4.856 4.737 0.119 25569
571 1 19 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.150 -0.148 25569
572 1 19 . 1 1 18 18 SER HA H 18 4.526 4.526 4.468 0.058 25569
573 1 19 . 1 1 19 19 SER HA H 19 4.163 4.163 4.575 -0.412 25569
574 1 19 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.665 -0.436 25569
575 1 19 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.540 -0.079 25569
576 1 19 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.541 0.120 25569
577 1 19 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.196 -0.114 25569
578 1 19 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.791 0.595 25569
579 1 19 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.621 -0.454 25569
580 1 19 . 1 1 26 26 ASN H H 26 7.910 7.910 7.904 0.006 25569
581 1 19 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.361 -0.507 25569
582 1 19 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.914 -0.311 25569
583 1 19 . 1 1 29 29 THR HA H 29 3.859 3.859 4.129 -0.270 25569
584 1 19 . 1 1 29 29 THR H H 29 7.179 7.179 7.332 -0.153 25569
585 1 19 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.136 -0.226 25569
586 1 19 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.593 -0.412 25569
587 1 19 . 1 1 32 32 SER HA H 32 5.762 5.762 4.857 0.905 25569
588 1 19 . 1 1 32 32 SER H H 32 8.063 8.063 8.698 -0.635 25569
589 1 19 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.959 -0.292 25569
590 1 19 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.800 -0.136 25569
591 1 19 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.570 -0.445 25569
592 1 19 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.382 -1.916 25569
593 1 19 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.138 -0.472 25569
594 1 19 . 1 1 38 38 SER HA H 38 4.098 4.098 4.417 -0.319 25569
595 1 20 . 1 1 8 8 PRO HA H 8 4.610 4.610 4.606 0.004 25569
596 1 20 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.297 -0.139 25569
597 1 20 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.926 0.169 25569
598 1 20 . 1 1 11 11 TRP H H 11 7.151 7.151 8.475 -1.324 25569
599 1 20 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.731 -0.090 25569
600 1 20 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.623 -0.305 25569
601 1 20 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.468 -0.364 25569
602 1 20 . 1 1 15 15 MET HA H 15 4.674 4.674 4.737 -0.063 25569
603 1 20 . 1 1 16 16 SER HA H 16 4.856 4.856 4.590 0.266 25569
604 1 20 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.107 -0.105 25569
605 1 20 . 1 1 18 18 SER HA H 18 4.526 4.526 4.351 0.175 25569
606 1 20 . 1 1 19 19 SER HA H 19 4.163 4.163 4.616 -0.453 25569
607 1 20 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.634 -0.405 25569
608 1 20 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.617 -0.156 25569
609 1 20 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.564 0.097 25569
610 1 20 . 1 1 24 24 TYR HA H 24 5.082 5.082 4.807 0.275 25569
611 1 20 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.837 0.549 25569
612 1 20 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.627 -0.460 25569
613 1 20 . 1 1 26 26 ASN H H 26 7.910 7.910 8.051 -0.141 25569
614 1 20 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.395 -0.541 25569
615 1 20 . 1 1 28 28 ILE HA H 28 3.603 3.603 3.899 -0.296 25569
616 1 20 . 1 1 29 29 THR HA H 29 3.859 3.859 4.121 -0.262 25569
617 1 20 . 1 1 29 29 THR H H 29 7.179 7.179 7.208 -0.029 25569
618 1 20 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.148 -0.238 25569
619 1 20 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.626 -0.445 25569
620 1 20 . 1 1 32 32 SER HA H 32 5.762 5.762 4.942 0.820 25569
621 1 20 . 1 1 32 32 SER H H 32 8.063 8.063 8.575 -0.512 25569
622 1 20 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.988 -0.321 25569
623 1 20 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.524 0.140 25569
624 1 20 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.632 -0.507 25569
625 1 20 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.373 -1.907 25569
626 1 20 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.131 -0.465 25569
627 1 20 . 1 1 38 38 SER HA H 38 4.098 4.098 4.425 -0.327 25569
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 25569
2 1 1 "Average Difference" HA 33 0.410 0.193 0.368 25569
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25569
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25569
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25569
6 1 1 "Average Difference" HN 4 0.491 0.432 0.269 25569
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25569
8 1 2 "Average Difference" HA 33 0.499 0.197 0.465 25569
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25569
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25569
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25569
12 1 2 "Average Difference" HN 4 0.707 0.455 0.625 25569
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25569
14 1 3 "Average Difference" HA 33 0.461 0.192 0.426 25569
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25569
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25569
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25569
18 1 3 "Average Difference" HN 4 0.963 0.823 0.577 25569
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25569
20 1 4 "Average Difference" HA 33 0.516 0.195 0.485 25569
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25569
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25569
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25569
24 1 4 "Average Difference" HN 4 0.834 0.666 0.581 25569
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25569
26 1 5 "Average Difference" HA 33 0.512 0.181 0.486 25569
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25569
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25569
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25569
30 1 5 "Average Difference" HN 4 0.406 0.352 0.232 25569
31 1 7 "Average Difference" N 0 0.000 0.000 0.000 25569
32 1 7 "Average Difference" HA 33 0.455 0.171 0.428 25569
33 1 7 "Average Difference" C 0 0.000 0.000 0.000 25569
34 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25569
35 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25569
36 1 7 "Average Difference" HN 4 0.767 0.655 0.462 25569
37 1 8 "Average Difference" N 0 0.000 0.000 0.000 25569
38 1 8 "Average Difference" HA 33 0.507 0.181 0.481 25569
39 1 8 "Average Difference" C 0 0.000 0.000 0.000 25569
40 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25569
41 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25569
42 1 8 "Average Difference" HN 4 0.707 0.621 0.390 25569
43 1 9 "Average Difference" N 0 0.000 0.000 0.000 25569
44 1 9 "Average Difference" HA 33 0.562 0.198 0.534 25569
45 1 9 "Average Difference" C 0 0.000 0.000 0.000 25569
46 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25569
47 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25569
48 1 9 "Average Difference" HN 4 0.967 0.826 0.581 25569
49 1 10 "Average Difference" N 0 0.000 0.000 0.000 25569
50 1 10 "Average Difference" HA 33 0.482 0.186 0.451 25569
51 1 10 "Average Difference" C 0 0.000 0.000 0.000 25569
52 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25569
53 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25569
54 1 10 "Average Difference" HN 4 0.818 0.708 0.472 25569
55 1 11 "Average Difference" N 0 0.000 0.000 0.000 25569
56 1 11 "Average Difference" HA 33 0.481 0.224 0.432 25569
57 1 11 "Average Difference" C 0 0.000 0.000 0.000 25569
58 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25569
59 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25569
60 1 11 "Average Difference" HN 4 0.663 0.588 0.353 25569
61 1 12 "Average Difference" N 0 0.000 0.000 0.000 25569
62 1 12 "Average Difference" HA 33 0.500 0.190 0.469 25569
63 1 12 "Average Difference" C 0 0.000 0.000 0.000 25569
64 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25569
65 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25569
66 1 12 "Average Difference" HN 4 0.638 0.537 0.399 25569
67 1 13 "Average Difference" N 0 0.000 0.000 0.000 25569
68 1 13 "Average Difference" HA 33 0.486 0.178 0.459 25569
69 1 13 "Average Difference" C 0 0.000 0.000 0.000 25569
70 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25569
71 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25569
72 1 13 "Average Difference" HN 4 0.645 0.448 0.536 25569
73 1 14 "Average Difference" N 0 0.000 0.000 0.000 25569
74 1 14 "Average Difference" HA 33 0.458 0.191 0.423 25569
75 1 14 "Average Difference" C 0 0.000 0.000 0.000 25569
76 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25569
77 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25569
78 1 14 "Average Difference" HN 4 0.836 0.680 0.563 25569
79 1 15 "Average Difference" N 0 0.000 0.000 0.000 25569
80 1 15 "Average Difference" HA 33 0.508 0.231 0.459 25569
81 1 15 "Average Difference" C 0 0.000 0.000 0.000 25569
82 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25569
83 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25569
84 1 15 "Average Difference" HN 4 0.727 0.570 0.521 25569
85 1 16 "Average Difference" N 0 0.000 0.000 0.000 25569
86 1 16 "Average Difference" HA 33 0.504 0.200 0.470 25569
87 1 16 "Average Difference" C 0 0.000 0.000 0.000 25569
88 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25569
89 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25569
90 1 16 "Average Difference" HN 4 0.844 0.751 0.447 25569
91 1 17 "Average Difference" N 0 0.000 0.000 0.000 25569
92 1 17 "Average Difference" HA 33 0.437 0.201 0.393 25569
93 1 17 "Average Difference" C 0 0.000 0.000 0.000 25569
94 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25569
95 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25569
96 1 17 "Average Difference" HN 4 0.609 0.607 0.048 25569
97 1 18 "Average Difference" N 0 0.000 0.000 0.000 25569
98 1 18 "Average Difference" HA 33 0.504 0.186 0.475 25569
99 1 18 "Average Difference" C 0 0.000 0.000 0.000 25569
100 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25569
101 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25569
102 1 18 "Average Difference" HN 4 0.524 0.276 0.514 25569
103 1 19 "Average Difference" N 0 0.000 0.000 0.000 25569
104 1 19 "Average Difference" HA 33 0.486 0.196 0.452 25569
105 1 19 "Average Difference" C 0 0.000 0.000 0.000 25569
106 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25569
107 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25569
108 1 19 "Average Difference" HN 4 0.760 0.539 0.619 25569
109 1 20 "Average Difference" N 0 0.000 0.000 0.000 25569
110 1 20 "Average Difference" HA 33 0.482 0.180 0.454 25569
111 1 20 "Average Difference" C 0 0.000 0.000 0.000 25569
112 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25569
113 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25569
114 1 20 "Average Difference" HN 4 0.713 0.501 0.586 25569
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 25569
_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 8 8 PRO HA H 8 4.610 4.610 4.677 -0.067 25569
2 1 . 1 1 9 9 PRO HA H 9 4.158 4.158 4.274 -0.116 25569
3 1 . 1 1 11 11 TRP HA H 11 5.095 5.095 4.829 0.266 25569
4 1 . 1 1 11 11 TRP H H 11 7.151 7.151 7.968 -0.817 25569
5 1 . 1 1 12 12 GLU HA H 12 4.641 4.641 4.710 -0.069 25569
6 1 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.463 -0.145 25569
7 1 . 1 1 14 14 ARG HA H 14 4.104 4.104 4.457 -0.353 25569
8 1 . 1 1 15 15 MET HA H 15 4.674 4.674 4.774 -0.100 25569
9 1 . 1 1 16 16 SER HA H 16 4.856 4.856 4.614 0.242 25569
10 1 . 1 1 17 17 ARG HA H 17 4.002 4.002 4.147 -0.145 25569
11 1 . 1 1 18 18 SER HA H 18 4.526 4.526 4.422 0.104 25569
12 1 . 1 1 19 19 SER HA H 19 4.163 4.163 4.584 -0.421 25569
13 1 . 1 1 21 21 ARG HA H 21 4.229 4.229 4.663 -0.434 25569
14 1 . 1 1 22 22 VAL HA H 22 4.461 4.461 4.449 0.012 25569
15 1 . 1 1 23 23 TYR HA H 23 4.661 4.661 4.635 0.026 25569
16 1 . 1 1 24 24 TYR HA H 24 5.082 5.082 5.079 0.003 25569
17 1 . 1 1 25 25 PHE HA H 25 5.386 5.386 4.979 0.407 25569
18 1 . 1 1 26 26 ASN HA H 26 4.167 4.167 4.742 -0.575 25569
19 1 . 1 1 26 26 ASN H H 26 7.910 7.910 8.052 -0.143 25569
20 1 . 1 1 27 27 HIS HA H 27 3.854 3.854 4.442 -0.588 25569
21 1 . 1 1 28 28 ILE HA H 28 3.603 3.603 4.035 -0.432 25569
22 1 . 1 1 29 29 THR HA H 29 3.859 3.859 4.152 -0.293 25569
23 1 . 1 1 29 29 THR H H 29 7.179 7.179 7.926 -0.747 25569
24 1 . 1 1 30 30 ASN HA H 30 3.910 3.910 4.185 -0.275 25569
25 1 . 1 1 31 31 ALA HA H 31 4.181 4.181 4.597 -0.416 25569
26 1 . 1 1 32 32 SER HA H 32 5.762 5.762 5.004 0.758 25569
27 1 . 1 1 32 32 SER H H 32 8.063 8.063 8.680 -0.617 25569
28 1 . 1 1 33 33 GLN HA H 33 4.667 4.667 4.993 -0.326 25569
29 1 . 1 1 34 34 TRP HA H 34 4.664 4.664 4.616 0.048 25569
30 1 . 1 1 35 35 GLU HA H 35 4.125 4.125 4.473 -0.348 25569
31 1 . 1 1 36 36 ARG HA H 36 2.466 2.466 4.365 -1.899 25569
32 1 . 1 1 37 37 PRO HA H 37 3.666 3.666 4.158 -0.492 25569
33 1 . 1 1 38 38 SER HA H 38 4.098 4.098 4.425 -0.327 25569
stop_
save_