data_17661
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17661
_Entry.PDB_ID 2LDE
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 17661
_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 SER HA H 2 4.734 4.734 4.730 0.004 17661
2 1 1 . 1 1 2 2 SER H H 2 8.942 8.942 8.606 0.336 17661
3 1 1 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.932 -0.035 17661
4 1 1 . 1 1 3 3 CYS H H 3 8.728 8.728 9.016 -0.288 17661
5 1 1 . 1 1 4 4 THR HA H 4 4.104 4.104 4.541 -0.437 17661
6 1 1 . 1 1 4 4 THR H H 4 8.058 8.058 8.399 -0.341 17661
7 1 1 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.649 -0.155 17661
8 1 1 . 1 1 5 5 ASP H H 5 8.871 8.871 8.421 0.450 17661
9 1 1 . 1 1 6 6 MET HA H 6 4.630 4.630 4.593 0.037 17661
10 1 1 . 1 1 6 6 MET H H 6 7.903 7.903 7.539 0.364 17661
11 1 1 . 1 1 7 7 SER HA H 7 4.471 4.471 4.634 -0.163 17661
12 1 1 . 1 1 7 7 SER H H 7 8.179 8.179 8.383 -0.204 17661
13 1 1 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.501 -0.116 17661
14 1 1 . 1 1 8 8 ASP H H 8 8.809 8.809 8.818 -0.009 17661
15 1 1 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.112 -0.064 17661
16 1 1 . 1 1 9 9 LEU H H 9 8.331 8.331 7.891 0.440 17661
17 1 1 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.091 -0.022 17661
18 1 1 . 1 1 10 10 GLU H H 10 7.757 7.757 7.927 -0.170 17661
19 1 1 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.754 -0.169 17661
20 1 1 . 1 1 11 11 CYS H H 11 8.510 8.510 7.666 0.844 17661
21 1 1 . 1 1 12 12 MET HA H 12 4.097 4.097 3.668 0.429 17661
22 1 1 . 1 1 12 12 MET H H 12 8.203 8.203 8.380 -0.177 17661
23 1 1 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.451 0.018 17661
24 1 1 . 1 1 13 13 ASN H H 13 7.819 7.819 8.091 -0.272 17661
25 1 1 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.600 -0.225 17661
26 1 1 . 1 1 14 14 PHE H H 14 8.408 8.408 8.004 0.404 17661
27 1 1 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.905 0.726 17661
28 1 1 . 1 1 15 15 CYS H H 15 8.416 8.416 7.680 0.736 17661
29 1 1 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.714 -0.086 17661
30 1 1 . 1 1 16 16 HIS H H 16 7.847 7.847 7.879 -0.032 17661
31 1 1 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.278 -0.010 17661
32 1 1 . 1 1 17 17 LYS H H 17 7.969 7.969 7.910 0.059 17661
33 1 1 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.693 -0.043 17661
34 1 1 . 1 1 18 18 ASP H H 18 8.353 8.353 8.075 0.278 17661
35 1 1 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.896 0.133 17661
36 1 1 . 1 1 19 19 VAL H H 19 7.901 7.901 6.973 0.928 17661
37 1 1 . 1 1 20 20 ILE HA H 20 4.108 4.108 4.114 -0.006 17661
38 1 1 . 1 1 20 20 ILE H H 20 8.032 8.032 8.331 -0.299 17661
39 1 1 . 1 1 21 21 TRP HA H 21 4.657 4.657 5.094 -0.437 17661
40 1 1 . 1 1 21 21 TRP H H 21 8.230 8.230 7.763 0.467 17661
41 1 1 . 1 1 22 22 VAL HA H 22 3.958 3.958 4.124 -0.166 17661
42 1 1 . 1 1 22 22 VAL H H 22 7.795 7.795 7.295 0.500 17661
43 1 1 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.760 -0.250 17661
44 1 1 . 1 1 23 23 ASN H H 23 8.308 8.308 8.052 0.256 17661
45 1 1 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.668 -0.386 17661
46 1 1 . 1 1 24 24 ARG H H 24 8.214 8.214 8.253 -0.039 17661
47 1 2 . 1 1 2 2 SER HA H 2 4.734 4.734 4.747 -0.013 17661
48 1 2 . 1 1 2 2 SER H H 2 8.942 8.942 8.611 0.331 17661
49 1 2 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.695 0.202 17661
50 1 2 . 1 1 3 3 CYS H H 3 8.728 8.728 9.034 -0.306 17661
51 1 2 . 1 1 4 4 THR HA H 4 4.104 4.104 4.180 -0.076 17661
52 1 2 . 1 1 4 4 THR H H 4 8.058 8.058 8.566 -0.508 17661
53 1 2 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.256 0.238 17661
54 1 2 . 1 1 5 5 ASP H H 5 8.871 8.871 8.599 0.272 17661
55 1 2 . 1 1 6 6 MET HA H 6 4.630 4.630 4.760 -0.130 17661
56 1 2 . 1 1 6 6 MET H H 6 7.903 7.903 7.498 0.405 17661
57 1 2 . 1 1 7 7 SER HA H 7 4.471 4.471 4.469 0.002 17661
58 1 2 . 1 1 7 7 SER H H 7 8.179 8.179 8.601 -0.422 17661
59 1 2 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.358 0.027 17661
60 1 2 . 1 1 8 8 ASP H H 8 8.809 8.809 8.948 -0.139 17661
61 1 2 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.156 -0.108 17661
62 1 2 . 1 1 9 9 LEU H H 9 8.331 8.331 7.984 0.347 17661
63 1 2 . 1 1 10 10 GLU HA H 10 4.069 4.069 3.969 0.100 17661
64 1 2 . 1 1 10 10 GLU H H 10 7.757 7.757 8.000 -0.243 17661
65 1 2 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.718 -0.133 17661
66 1 2 . 1 1 11 11 CYS H H 11 8.510 8.510 8.660 -0.150 17661
67 1 2 . 1 1 12 12 MET HA H 12 4.097 4.097 3.741 0.356 17661
68 1 2 . 1 1 12 12 MET H H 12 8.203 8.203 7.918 0.285 17661
69 1 2 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.485 -0.016 17661
70 1 2 . 1 1 13 13 ASN H H 13 7.819 7.819 7.799 0.020 17661
71 1 2 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.355 0.020 17661
72 1 2 . 1 1 14 14 PHE H H 14 8.408 8.408 8.540 -0.132 17661
73 1 2 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.503 1.128 17661
74 1 2 . 1 1 15 15 CYS H H 15 8.416 8.416 8.008 0.408 17661
75 1 2 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.248 0.380 17661
76 1 2 . 1 1 16 16 HIS H H 16 7.847 7.847 7.759 0.088 17661
77 1 2 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.304 -0.036 17661
78 1 2 . 1 1 17 17 LYS H H 17 7.969 7.969 7.530 0.439 17661
79 1 2 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.818 -0.168 17661
80 1 2 . 1 1 18 18 ASP H H 18 8.353 8.353 7.642 0.711 17661
81 1 2 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.764 0.265 17661
82 1 2 . 1 1 19 19 VAL H H 19 7.901 7.901 6.915 0.986 17661
83 1 2 . 1 1 20 20 ILE HA H 20 4.108 4.108 4.016 0.092 17661
84 1 2 . 1 1 20 20 ILE H H 20 8.032 8.032 8.624 -0.593 17661
85 1 2 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.675 -0.018 17661
86 1 2 . 1 1 21 21 TRP H H 21 8.230 8.230 7.198 1.032 17661
87 1 2 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.514 0.444 17661
88 1 2 . 1 1 22 22 VAL H H 22 7.795 7.795 7.316 0.479 17661
89 1 2 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.504 0.006 17661
90 1 2 . 1 1 23 23 ASN H H 23 8.308 8.308 8.614 -0.306 17661
91 1 2 . 1 1 24 24 ARG HA H 24 4.282 4.282 3.867 0.415 17661
92 1 2 . 1 1 24 24 ARG H H 24 8.214 8.214 8.828 -0.614 17661
93 1 3 . 1 1 2 2 SER HA H 2 4.734 4.734 4.674 0.060 17661
94 1 3 . 1 1 2 2 SER H H 2 8.942 8.942 8.665 0.277 17661
95 1 3 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.584 0.313 17661
96 1 3 . 1 1 3 3 CYS H H 3 8.728 8.728 8.980 -0.252 17661
97 1 3 . 1 1 4 4 THR HA H 4 4.104 4.104 4.430 -0.326 17661
98 1 3 . 1 1 4 4 THR H H 4 8.058 8.058 8.473 -0.415 17661
99 1 3 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.254 0.240 17661
100 1 3 . 1 1 5 5 ASP H H 5 8.871 8.871 8.735 0.136 17661
101 1 3 . 1 1 6 6 MET HA H 6 4.630 4.630 4.560 0.070 17661
102 1 3 . 1 1 6 6 MET H H 6 7.903 7.903 7.627 0.276 17661
103 1 3 . 1 1 7 7 SER HA H 7 4.471 4.471 4.377 0.094 17661
104 1 3 . 1 1 7 7 SER H H 7 8.179 8.179 8.750 -0.571 17661
105 1 3 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.110 0.275 17661
106 1 3 . 1 1 8 8 ASP H H 8 8.809 8.809 8.686 0.123 17661
107 1 3 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.096 -0.048 17661
108 1 3 . 1 1 9 9 LEU H H 9 8.331 8.331 7.890 0.441 17661
109 1 3 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.016 0.053 17661
110 1 3 . 1 1 10 10 GLU H H 10 7.757 7.757 8.800 -1.043 17661
111 1 3 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.571 0.014 17661
112 1 3 . 1 1 11 11 CYS H H 11 8.510 8.510 7.959 0.551 17661
113 1 3 . 1 1 12 12 MET HA H 12 4.097 4.097 4.221 -0.124 17661
114 1 3 . 1 1 12 12 MET H H 12 8.203 8.203 7.695 0.508 17661
115 1 3 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.396 0.073 17661
116 1 3 . 1 1 13 13 ASN H H 13 7.819 7.819 8.489 -0.670 17661
117 1 3 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.356 0.019 17661
118 1 3 . 1 1 14 14 PHE H H 14 8.408 8.408 8.640 -0.232 17661
119 1 3 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.232 1.399 17661
120 1 3 . 1 1 15 15 CYS H H 15 8.416 8.416 7.701 0.715 17661
121 1 3 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.463 0.165 17661
122 1 3 . 1 1 16 16 HIS H H 16 7.847 7.847 8.243 -0.396 17661
123 1 3 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.040 0.228 17661
124 1 3 . 1 1 17 17 LYS H H 17 7.969 7.969 8.153 -0.184 17661
125 1 3 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.724 -0.074 17661
126 1 3 . 1 1 18 18 ASP H H 18 8.353 8.353 8.529 -0.176 17661
127 1 3 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.241 0.788 17661
128 1 3 . 1 1 19 19 VAL H H 19 7.901 7.901 7.594 0.307 17661
129 1 3 . 1 1 20 20 ILE HA H 20 4.108 4.108 4.084 0.024 17661
130 1 3 . 1 1 20 20 ILE H H 20 8.032 8.032 7.739 0.293 17661
131 1 3 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.664 -0.007 17661
132 1 3 . 1 1 21 21 TRP H H 21 8.230 8.230 7.393 0.837 17661
133 1 3 . 1 1 22 22 VAL HA H 22 3.958 3.958 4.194 -0.236 17661
134 1 3 . 1 1 22 22 VAL H H 22 7.795 7.795 7.176 0.619 17661
135 1 3 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.710 -0.200 17661
136 1 3 . 1 1 23 23 ASN H H 23 8.308 8.308 7.587 0.721 17661
137 1 3 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.488 -0.206 17661
138 1 3 . 1 1 24 24 ARG H H 24 8.214 8.214 8.512 -0.298 17661
139 1 4 . 1 1 2 2 SER HA H 2 4.734 4.734 4.706 0.028 17661
140 1 4 . 1 1 2 2 SER H H 2 8.942 8.942 8.401 0.541 17661
141 1 4 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.748 0.149 17661
142 1 4 . 1 1 3 3 CYS H H 3 8.728 8.728 9.005 -0.277 17661
143 1 4 . 1 1 4 4 THR HA H 4 4.104 4.104 4.381 -0.277 17661
144 1 4 . 1 1 4 4 THR H H 4 8.058 8.058 8.562 -0.504 17661
145 1 4 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.221 0.273 17661
146 1 4 . 1 1 5 5 ASP H H 5 8.871 8.871 8.648 0.223 17661
147 1 4 . 1 1 6 6 MET HA H 6 4.630 4.630 4.685 -0.055 17661
148 1 4 . 1 1 6 6 MET H H 6 7.903 7.903 7.613 0.290 17661
149 1 4 . 1 1 7 7 SER HA H 7 4.471 4.471 4.583 -0.112 17661
150 1 4 . 1 1 7 7 SER H H 7 8.179 8.179 9.040 -0.861 17661
151 1 4 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.478 -0.093 17661
152 1 4 . 1 1 8 8 ASP H H 8 8.809 8.809 8.508 0.301 17661
153 1 4 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.160 -0.112 17661
154 1 4 . 1 1 9 9 LEU H H 9 8.331 8.331 7.827 0.503 17661
155 1 4 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.036 0.033 17661
156 1 4 . 1 1 10 10 GLU H H 10 7.757 7.757 8.839 -1.082 17661
157 1 4 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.720 -0.135 17661
158 1 4 . 1 1 11 11 CYS H H 11 8.510 8.510 7.566 0.944 17661
159 1 4 . 1 1 12 12 MET HA H 12 4.097 4.097 3.742 0.355 17661
160 1 4 . 1 1 12 12 MET H H 12 8.203 8.203 7.869 0.334 17661
161 1 4 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.467 0.002 17661
162 1 4 . 1 1 13 13 ASN H H 13 7.819 7.819 8.243 -0.424 17661
163 1 4 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.481 -0.106 17661
164 1 4 . 1 1 14 14 PHE H H 14 8.408 8.408 7.976 0.432 17661
165 1 4 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.812 0.819 17661
166 1 4 . 1 1 15 15 CYS H H 15 8.416 8.416 7.310 1.106 17661
167 1 4 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.386 0.242 17661
168 1 4 . 1 1 16 16 HIS H H 16 7.847 7.847 8.173 -0.326 17661
169 1 4 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.259 0.009 17661
170 1 4 . 1 1 17 17 LYS H H 17 7.969 7.969 7.676 0.293 17661
171 1 4 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.770 -0.120 17661
172 1 4 . 1 1 18 18 ASP H H 18 8.353 8.353 7.720 0.633 17661
173 1 4 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.600 0.429 17661
174 1 4 . 1 1 19 19 VAL H H 19 7.901 7.901 6.807 1.094 17661
175 1 4 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.942 0.166 17661
176 1 4 . 1 1 20 20 ILE H H 20 8.032 8.032 8.114 -0.082 17661
177 1 4 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.807 -0.150 17661
178 1 4 . 1 1 21 21 TRP H H 21 8.230 8.230 6.914 1.316 17661
179 1 4 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.892 0.066 17661
180 1 4 . 1 1 22 22 VAL H H 22 7.795 7.795 7.671 0.124 17661
181 1 4 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.535 -0.025 17661
182 1 4 . 1 1 23 23 ASN H H 23 8.308 8.308 8.453 -0.145 17661
183 1 4 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.458 -0.176 17661
184 1 4 . 1 1 24 24 ARG H H 24 8.214 8.214 8.600 -0.386 17661
185 1 5 . 1 1 2 2 SER HA H 2 4.734 4.734 4.628 0.106 17661
186 1 5 . 1 1 2 2 SER H H 2 8.942 8.942 8.681 0.261 17661
187 1 5 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.585 0.312 17661
188 1 5 . 1 1 3 3 CYS H H 3 8.728 8.728 8.670 0.058 17661
189 1 5 . 1 1 4 4 THR HA H 4 4.104 4.104 4.428 -0.324 17661
190 1 5 . 1 1 4 4 THR H H 4 8.058 8.058 8.387 -0.329 17661
191 1 5 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.222 0.272 17661
192 1 5 . 1 1 5 5 ASP H H 5 8.871 8.871 8.920 -0.049 17661
193 1 5 . 1 1 6 6 MET HA H 6 4.630 4.630 4.578 0.052 17661
194 1 5 . 1 1 6 6 MET H H 6 7.903 7.903 7.816 0.087 17661
195 1 5 . 1 1 7 7 SER HA H 7 4.471 4.471 4.713 -0.242 17661
196 1 5 . 1 1 7 7 SER H H 7 8.179 8.179 9.009 -0.830 17661
197 1 5 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.426 -0.041 17661
198 1 5 . 1 1 8 8 ASP H H 8 8.809 8.809 8.769 0.040 17661
199 1 5 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.032 0.016 17661
200 1 5 . 1 1 9 9 LEU H H 9 8.331 8.331 8.118 0.213 17661
201 1 5 . 1 1 10 10 GLU HA H 10 4.069 4.069 3.926 0.143 17661
202 1 5 . 1 1 10 10 GLU H H 10 7.757 7.757 8.007 -0.250 17661
203 1 5 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.650 -0.065 17661
204 1 5 . 1 1 11 11 CYS H H 11 8.510 8.510 8.155 0.355 17661
205 1 5 . 1 1 12 12 MET HA H 12 4.097 4.097 3.846 0.251 17661
206 1 5 . 1 1 12 12 MET H H 12 8.203 8.203 8.611 -0.408 17661
207 1 5 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.485 -0.016 17661
208 1 5 . 1 1 13 13 ASN H H 13 7.819 7.819 8.447 -0.628 17661
209 1 5 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.349 0.026 17661
210 1 5 . 1 1 14 14 PHE H H 14 8.408 8.408 8.347 0.061 17661
211 1 5 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.845 0.786 17661
212 1 5 . 1 1 15 15 CYS H H 15 8.416 8.416 7.667 0.749 17661
213 1 5 . 1 1 16 16 HIS HA H 16 4.628 4.628 5.083 -0.455 17661
214 1 5 . 1 1 16 16 HIS H H 16 7.847 7.847 8.286 -0.439 17661
215 1 5 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.265 0.003 17661
216 1 5 . 1 1 17 17 LYS H H 17 7.969 7.969 7.975 -0.006 17661
217 1 5 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.621 0.029 17661
218 1 5 . 1 1 18 18 ASP H H 18 8.353 8.353 8.075 0.278 17661
219 1 5 . 1 1 19 19 VAL HA H 19 4.029 4.029 2.427 1.602 17661
220 1 5 . 1 1 19 19 VAL H H 19 7.901 7.901 7.238 0.663 17661
221 1 5 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.842 0.266 17661
222 1 5 . 1 1 20 20 ILE H H 20 8.032 8.032 8.075 -0.043 17661
223 1 5 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.703 -0.046 17661
224 1 5 . 1 1 21 21 TRP H H 21 8.230 8.230 7.030 1.200 17661
225 1 5 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.694 0.264 17661
226 1 5 . 1 1 22 22 VAL H H 22 7.795 7.795 7.080 0.715 17661
227 1 5 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.956 -0.446 17661
228 1 5 . 1 1 23 23 ASN H H 23 8.308 8.308 8.432 -0.124 17661
229 1 5 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.412 -0.130 17661
230 1 5 . 1 1 24 24 ARG H H 24 8.214 8.214 8.678 -0.464 17661
231 1 6 . 1 1 2 2 SER HA H 2 4.734 4.734 4.688 0.046 17661
232 1 6 . 1 1 2 2 SER H H 2 8.942 8.942 8.701 0.241 17661
233 1 6 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.712 0.185 17661
234 1 6 . 1 1 3 3 CYS H H 3 8.728 8.728 9.005 -0.277 17661
235 1 6 . 1 1 4 4 THR HA H 4 4.104 4.104 4.314 -0.210 17661
236 1 6 . 1 1 4 4 THR H H 4 8.058 8.058 8.248 -0.190 17661
237 1 6 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.321 0.173 17661
238 1 6 . 1 1 5 5 ASP H H 5 8.871 8.871 8.692 0.179 17661
239 1 6 . 1 1 6 6 MET HA H 6 4.630 4.630 4.544 0.086 17661
240 1 6 . 1 1 6 6 MET H H 6 7.903 7.903 7.690 0.213 17661
241 1 6 . 1 1 7 7 SER HA H 7 4.471 4.471 4.420 0.051 17661
242 1 6 . 1 1 7 7 SER H H 7 8.179 8.179 8.979 -0.800 17661
243 1 6 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.108 0.277 17661
244 1 6 . 1 1 8 8 ASP H H 8 8.809 8.809 8.468 0.341 17661
245 1 6 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.071 -0.023 17661
246 1 6 . 1 1 9 9 LEU H H 9 8.331 8.331 7.902 0.429 17661
247 1 6 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.184 -0.115 17661
248 1 6 . 1 1 10 10 GLU H H 10 7.757 7.757 8.754 -0.997 17661
249 1 6 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.793 -0.208 17661
250 1 6 . 1 1 11 11 CYS H H 11 8.510 8.510 7.919 0.591 17661
251 1 6 . 1 1 12 12 MET HA H 12 4.097 4.097 4.142 -0.045 17661
252 1 6 . 1 1 12 12 MET H H 12 8.203 8.203 7.981 0.222 17661
253 1 6 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.522 -0.053 17661
254 1 6 . 1 1 13 13 ASN H H 13 7.819 7.819 7.973 -0.154 17661
255 1 6 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.378 -0.003 17661
256 1 6 . 1 1 14 14 PHE H H 14 8.408 8.408 8.133 0.275 17661
257 1 6 . 1 1 15 15 CYS HA H 15 4.631 4.631 4.064 0.567 17661
258 1 6 . 1 1 15 15 CYS H H 15 8.416 8.416 7.439 0.977 17661
259 1 6 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.540 0.088 17661
260 1 6 . 1 1 16 16 HIS H H 16 7.847 7.847 7.976 -0.129 17661
261 1 6 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.334 -0.066 17661
262 1 6 . 1 1 17 17 LYS H H 17 7.969 7.969 7.674 0.295 17661
263 1 6 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.654 -0.004 17661
264 1 6 . 1 1 18 18 ASP H H 18 8.353 8.353 7.980 0.373 17661
265 1 6 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.759 0.270 17661
266 1 6 . 1 1 19 19 VAL H H 19 7.901 7.901 7.320 0.581 17661
267 1 6 . 1 1 20 20 ILE HA H 20 4.108 4.108 4.171 -0.063 17661
268 1 6 . 1 1 20 20 ILE H H 20 8.032 8.032 8.159 -0.127 17661
269 1 6 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.766 -0.109 17661
270 1 6 . 1 1 21 21 TRP H H 21 8.230 8.230 7.709 0.521 17661
271 1 6 . 1 1 22 22 VAL HA H 22 3.958 3.958 4.216 -0.258 17661
272 1 6 . 1 1 22 22 VAL H H 22 7.795 7.795 7.338 0.457 17661
273 1 6 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.793 -0.283 17661
274 1 6 . 1 1 23 23 ASN H H 23 8.308 8.308 7.821 0.487 17661
275 1 6 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.145 0.137 17661
276 1 6 . 1 1 24 24 ARG H H 24 8.214 8.214 8.660 -0.446 17661
277 1 7 . 1 1 2 2 SER HA H 2 4.734 4.734 4.692 0.042 17661
278 1 7 . 1 1 2 2 SER H H 2 8.942 8.942 8.592 0.350 17661
279 1 7 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.882 0.015 17661
280 1 7 . 1 1 3 3 CYS H H 3 8.728 8.728 8.794 -0.066 17661
281 1 7 . 1 1 4 4 THR HA H 4 4.104 4.104 4.485 -0.381 17661
282 1 7 . 1 1 4 4 THR H H 4 8.058 8.058 8.645 -0.587 17661
283 1 7 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.246 0.248 17661
284 1 7 . 1 1 5 5 ASP H H 5 8.871 8.871 8.971 -0.100 17661
285 1 7 . 1 1 6 6 MET HA H 6 4.630 4.630 4.370 0.260 17661
286 1 7 . 1 1 6 6 MET H H 6 7.903 7.903 7.382 0.521 17661
287 1 7 . 1 1 7 7 SER HA H 7 4.471 4.471 4.625 -0.154 17661
288 1 7 . 1 1 7 7 SER H H 7 8.179 8.179 8.555 -0.376 17661
289 1 7 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.108 0.277 17661
290 1 7 . 1 1 8 8 ASP H H 8 8.809 8.809 8.552 0.257 17661
291 1 7 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.091 -0.043 17661
292 1 7 . 1 1 9 9 LEU H H 9 8.331 8.331 8.093 0.238 17661
293 1 7 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.164 -0.095 17661
294 1 7 . 1 1 10 10 GLU H H 10 7.757 7.757 8.270 -0.513 17661
295 1 7 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.559 0.026 17661
296 1 7 . 1 1 11 11 CYS H H 11 8.510 8.510 7.485 1.025 17661
297 1 7 . 1 1 12 12 MET HA H 12 4.097 4.097 3.867 0.230 17661
298 1 7 . 1 1 12 12 MET H H 12 8.203 8.203 8.204 -0.001 17661
299 1 7 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.830 -0.361 17661
300 1 7 . 1 1 13 13 ASN H H 13 7.819 7.819 7.935 -0.116 17661
301 1 7 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.595 -0.220 17661
302 1 7 . 1 1 14 14 PHE H H 14 8.408 8.408 8.115 0.293 17661
303 1 7 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.980 0.651 17661
304 1 7 . 1 1 15 15 CYS H H 15 8.416 8.416 7.985 0.431 17661
305 1 7 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.560 0.068 17661
306 1 7 . 1 1 16 16 HIS H H 16 7.847 7.847 8.603 -0.756 17661
307 1 7 . 1 1 17 17 LYS HA H 17 4.268 4.268 3.844 0.424 17661
308 1 7 . 1 1 17 17 LYS H H 17 7.969 7.969 7.702 0.267 17661
309 1 7 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.048 0.602 17661
310 1 7 . 1 1 18 18 ASP H H 18 8.353 8.353 6.873 1.480 17661
311 1 7 . 1 1 19 19 VAL HA H 19 4.029 4.029 2.001 2.028 17661
312 1 7 . 1 1 19 19 VAL H H 19 7.901 7.901 8.062 -0.161 17661
313 1 7 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.839 0.269 17661
314 1 7 . 1 1 20 20 ILE H H 20 8.032 8.032 7.401 0.631 17661
315 1 7 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.686 -0.029 17661
316 1 7 . 1 1 21 21 TRP H H 21 8.230 8.230 7.008 1.222 17661
317 1 7 . 1 1 22 22 VAL HA H 22 3.958 3.958 4.126 -0.168 17661
318 1 7 . 1 1 22 22 VAL H H 22 7.795 7.795 7.359 0.436 17661
319 1 7 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.916 -0.406 17661
320 1 7 . 1 1 23 23 ASN H H 23 8.308 8.308 7.694 0.614 17661
321 1 7 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.711 -0.429 17661
322 1 7 . 1 1 24 24 ARG H H 24 8.214 8.214 8.471 -0.257 17661
323 1 8 . 1 1 2 2 SER HA H 2 4.734 4.734 4.713 0.021 17661
324 1 8 . 1 1 2 2 SER H H 2 8.942 8.942 8.565 0.377 17661
325 1 8 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.688 0.209 17661
326 1 8 . 1 1 3 3 CYS H H 3 8.728 8.728 9.049 -0.321 17661
327 1 8 . 1 1 4 4 THR HA H 4 4.104 4.104 4.411 -0.307 17661
328 1 8 . 1 1 4 4 THR H H 4 8.058 8.058 8.667 -0.609 17661
329 1 8 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.318 0.176 17661
330 1 8 . 1 1 5 5 ASP H H 5 8.871 8.871 8.693 0.178 17661
331 1 8 . 1 1 6 6 MET HA H 6 4.630 4.630 4.576 0.054 17661
332 1 8 . 1 1 6 6 MET H H 6 7.903 7.903 7.547 0.356 17661
333 1 8 . 1 1 7 7 SER HA H 7 4.471 4.471 4.608 -0.137 17661
334 1 8 . 1 1 7 7 SER H H 7 8.179 8.179 8.694 -0.515 17661
335 1 8 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.106 0.279 17661
336 1 8 . 1 1 8 8 ASP H H 8 8.809 8.809 8.566 0.243 17661
337 1 8 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.137 -0.089 17661
338 1 8 . 1 1 9 9 LEU H H 9 8.331 8.331 7.922 0.409 17661
339 1 8 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.123 -0.054 17661
340 1 8 . 1 1 10 10 GLU H H 10 7.757 7.757 8.831 -1.074 17661
341 1 8 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.833 -0.248 17661
342 1 8 . 1 1 11 11 CYS H H 11 8.510 8.510 7.560 0.950 17661
343 1 8 . 1 1 12 12 MET HA H 12 4.097 4.097 4.249 -0.152 17661
344 1 8 . 1 1 12 12 MET H H 12 8.203 8.203 8.094 0.109 17661
345 1 8 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.530 -0.061 17661
346 1 8 . 1 1 13 13 ASN H H 13 7.819 7.819 8.251 -0.432 17661
347 1 8 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.518 -0.143 17661
348 1 8 . 1 1 14 14 PHE H H 14 8.408 8.408 8.242 0.166 17661
349 1 8 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.513 1.118 17661
350 1 8 . 1 1 15 15 CYS H H 15 8.416 8.416 7.563 0.853 17661
351 1 8 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.849 -0.221 17661
352 1 8 . 1 1 16 16 HIS H H 16 7.847 7.847 7.759 0.088 17661
353 1 8 . 1 1 17 17 LYS HA H 17 4.268 4.268 3.960 0.308 17661
354 1 8 . 1 1 17 17 LYS H H 17 7.969 7.969 7.315 0.654 17661
355 1 8 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.220 0.430 17661
356 1 8 . 1 1 18 18 ASP H H 18 8.353 8.353 8.371 -0.018 17661
357 1 8 . 1 1 19 19 VAL HA H 19 4.029 4.029 2.763 1.266 17661
358 1 8 . 1 1 19 19 VAL H H 19 7.901 7.901 7.798 0.103 17661
359 1 8 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.990 0.118 17661
360 1 8 . 1 1 20 20 ILE H H 20 8.032 8.032 7.940 0.092 17661
361 1 8 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.715 -0.058 17661
362 1 8 . 1 1 21 21 TRP H H 21 8.230 8.230 7.514 0.716 17661
363 1 8 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.950 0.008 17661
364 1 8 . 1 1 22 22 VAL H H 22 7.795 7.795 7.487 0.308 17661
365 1 8 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.469 0.041 17661
366 1 8 . 1 1 23 23 ASN H H 23 8.308 8.308 8.812 -0.504 17661
367 1 8 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.574 -0.292 17661
368 1 8 . 1 1 24 24 ARG H H 24 8.214 8.214 7.692 0.522 17661
369 1 9 . 1 1 2 2 SER HA H 2 4.734 4.734 4.673 0.061 17661
370 1 9 . 1 1 2 2 SER H H 2 8.942 8.942 8.719 0.223 17661
371 1 9 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.469 0.428 17661
372 1 9 . 1 1 3 3 CYS H H 3 8.728 8.728 8.903 -0.175 17661
373 1 9 . 1 1 4 4 THR HA H 4 4.104 4.104 4.444 -0.340 17661
374 1 9 . 1 1 4 4 THR H H 4 8.058 8.058 8.481 -0.423 17661
375 1 9 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.276 0.218 17661
376 1 9 . 1 1 5 5 ASP H H 5 8.871 8.871 8.751 0.120 17661
377 1 9 . 1 1 6 6 MET HA H 6 4.630 4.630 4.595 0.035 17661
378 1 9 . 1 1 6 6 MET H H 6 7.903 7.903 7.498 0.405 17661
379 1 9 . 1 1 7 7 SER HA H 7 4.471 4.471 4.550 -0.079 17661
380 1 9 . 1 1 7 7 SER H H 7 8.179 8.179 8.800 -0.621 17661
381 1 9 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.077 0.308 17661
382 1 9 . 1 1 8 8 ASP H H 8 8.809 8.809 8.561 0.248 17661
383 1 9 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.015 0.033 17661
384 1 9 . 1 1 9 9 LEU H H 9 8.331 8.331 7.999 0.332 17661
385 1 9 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.110 -0.041 17661
386 1 9 . 1 1 10 10 GLU H H 10 7.757 7.757 8.743 -0.986 17661
387 1 9 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.410 0.175 17661
388 1 9 . 1 1 11 11 CYS H H 11 8.510 8.510 7.650 0.860 17661
389 1 9 . 1 1 12 12 MET HA H 12 4.097 4.097 3.941 0.156 17661
390 1 9 . 1 1 12 12 MET H H 12 8.203 8.203 8.366 -0.163 17661
391 1 9 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.510 -0.041 17661
392 1 9 . 1 1 13 13 ASN H H 13 7.819 7.819 8.380 -0.561 17661
393 1 9 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.694 -0.319 17661
394 1 9 . 1 1 14 14 PHE H H 14 8.408 8.408 7.873 0.535 17661
395 1 9 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.812 0.819 17661
396 1 9 . 1 1 15 15 CYS H H 15 8.416 8.416 8.043 0.373 17661
397 1 9 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.446 0.182 17661
398 1 9 . 1 1 16 16 HIS H H 16 7.847 7.847 8.462 -0.615 17661
399 1 9 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.272 -0.004 17661
400 1 9 . 1 1 17 17 LYS H H 17 7.969 7.969 7.808 0.161 17661
401 1 9 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.704 -0.054 17661
402 1 9 . 1 1 18 18 ASP H H 18 8.353 8.353 7.591 0.762 17661
403 1 9 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.653 0.376 17661
404 1 9 . 1 1 19 19 VAL H H 19 7.901 7.901 7.014 0.887 17661
405 1 9 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.993 0.115 17661
406 1 9 . 1 1 20 20 ILE H H 20 8.032 8.032 8.326 -0.294 17661
407 1 9 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.780 -0.123 17661
408 1 9 . 1 1 21 21 TRP H H 21 8.230 8.230 7.381 0.849 17661
409 1 9 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.773 0.185 17661
410 1 9 . 1 1 22 22 VAL H H 22 7.795 7.795 7.491 0.304 17661
411 1 9 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.853 -0.343 17661
412 1 9 . 1 1 23 23 ASN H H 23 8.308 8.308 8.609 -0.301 17661
413 1 9 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.568 -0.286 17661
414 1 9 . 1 1 24 24 ARG H H 24 8.214 8.214 8.630 -0.416 17661
415 1 10 . 1 1 2 2 SER HA H 2 4.734 4.734 4.824 -0.090 17661
416 1 10 . 1 1 2 2 SER H H 2 8.942 8.942 8.541 0.401 17661
417 1 10 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.754 0.143 17661
418 1 10 . 1 1 3 3 CYS H H 3 8.728 8.728 8.697 0.031 17661
419 1 10 . 1 1 4 4 THR HA H 4 4.104 4.104 4.507 -0.403 17661
420 1 10 . 1 1 4 4 THR H H 4 8.058 8.058 8.577 -0.519 17661
421 1 10 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.343 0.151 17661
422 1 10 . 1 1 5 5 ASP H H 5 8.871 8.871 8.730 0.141 17661
423 1 10 . 1 1 6 6 MET HA H 6 4.630 4.630 4.705 -0.075 17661
424 1 10 . 1 1 6 6 MET H H 6 7.903 7.903 7.645 0.258 17661
425 1 10 . 1 1 7 7 SER HA H 7 4.471 4.471 4.719 -0.248 17661
426 1 10 . 1 1 7 7 SER H H 7 8.179 8.179 8.486 -0.307 17661
427 1 10 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.471 -0.086 17661
428 1 10 . 1 1 8 8 ASP H H 8 8.809 8.809 8.849 -0.040 17661
429 1 10 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.160 -0.112 17661
430 1 10 . 1 1 9 9 LEU H H 9 8.331 8.331 7.971 0.360 17661
431 1 10 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.060 0.009 17661
432 1 10 . 1 1 10 10 GLU H H 10 7.757 7.757 8.217 -0.460 17661
433 1 10 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.572 0.013 17661
434 1 10 . 1 1 11 11 CYS H H 11 8.510 8.510 8.401 0.109 17661
435 1 10 . 1 1 12 12 MET HA H 12 4.097 4.097 3.471 0.626 17661
436 1 10 . 1 1 12 12 MET H H 12 8.203 8.203 7.641 0.562 17661
437 1 10 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.473 -0.004 17661
438 1 10 . 1 1 13 13 ASN H H 13 7.819 7.819 8.153 -0.334 17661
439 1 10 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.351 0.024 17661
440 1 10 . 1 1 14 14 PHE H H 14 8.408 8.408 7.859 0.549 17661
441 1 10 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.868 0.763 17661
442 1 10 . 1 1 15 15 CYS H H 15 8.416 8.416 7.283 1.133 17661
443 1 10 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.609 0.019 17661
444 1 10 . 1 1 16 16 HIS H H 16 7.847 7.847 8.023 -0.176 17661
445 1 10 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.264 0.004 17661
446 1 10 . 1 1 17 17 LYS H H 17 7.969 7.969 7.488 0.481 17661
447 1 10 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.743 -0.093 17661
448 1 10 . 1 1 18 18 ASP H H 18 8.353 8.353 7.867 0.486 17661
449 1 10 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.699 0.330 17661
450 1 10 . 1 1 19 19 VAL H H 19 7.901 7.901 7.869 0.032 17661
451 1 10 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.980 0.128 17661
452 1 10 . 1 1 20 20 ILE H H 20 8.032 8.032 8.209 -0.177 17661
453 1 10 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.769 -0.112 17661
454 1 10 . 1 1 21 21 TRP H H 21 8.230 8.230 7.749 0.481 17661
455 1 10 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.727 0.231 17661
456 1 10 . 1 1 22 22 VAL H H 22 7.795 7.795 7.337 0.458 17661
457 1 10 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.718 -0.208 17661
458 1 10 . 1 1 23 23 ASN H H 23 8.308 8.308 7.671 0.637 17661
459 1 10 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.069 0.213 17661
460 1 10 . 1 1 24 24 ARG H H 24 8.214 8.214 8.125 0.089 17661
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 17661
2 1 1 "Average Difference" HA 23 0.256 0.062 0.254 17661
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17661
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17661
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17661
6 1 1 "Average Difference" HN 23 0.417 -0.184 0.383 17661
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17661
8 1 2 "Average Difference" HA 23 0.308 -0.130 0.286 17661
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17661
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17661
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17661
12 1 2 "Average Difference" HN 23 0.474 -0.104 0.472 17661
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17661
14 1 3 "Average Difference" HA 23 0.372 -0.113 0.362 17661
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17661
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17661
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17661
18 1 3 "Average Difference" HN 23 0.498 -0.068 0.504 17661
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17661
20 1 4 "Average Difference" HA 23 0.245 -0.053 0.245 17661
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17661
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17661
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17661
24 1 4 "Average Difference" HN 23 0.637 -0.176 0.626 17661
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17661
26 1 5 "Average Difference" HA 23 0.427 -0.103 0.424 17661
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17661
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17661
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17661
30 1 5 "Average Difference" HN 23 0.472 -0.048 0.481 17661
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17661
32 1 6 "Average Difference" HA 23 0.192 -0.019 0.195 17661
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17661
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17661
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17661
36 1 6 "Average Difference" HN 23 0.473 -0.133 0.464 17661
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17661
38 1 7 "Average Difference" HA 23 0.517 -0.124 0.513 17661
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17661
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17661
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17661
42 1 7 "Average Difference" HN 23 0.590 -0.210 0.563 17661
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17661
44 1 8 "Average Difference" HA 23 0.400 -0.099 0.396 17661
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17661
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17661
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17661
48 1 8 "Average Difference" HN 23 0.505 -0.115 0.503 17661
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17661
50 1 9 "Average Difference" HA 23 0.274 -0.064 0.272 17661
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17661
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17661
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17661
54 1 9 "Average Difference" HN 23 0.528 -0.065 0.536 17661
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17661
56 1 10 "Average Difference" HA 23 0.261 -0.053 0.261 17661
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17661
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17661
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17661
60 1 10 "Average Difference" HN 23 0.436 -0.182 0.405 17661
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 17661
_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 SER HA H 2 4.734 4.734 4.707 0.027 17661
2 1 . 1 1 2 2 SER H H 2 8.942 8.942 8.608 0.334 17661
3 1 . 1 1 3 3 CYS HA H 3 4.897 4.897 4.705 0.192 17661
4 1 . 1 1 3 3 CYS H H 3 8.728 8.728 8.915 -0.187 17661
5 1 . 1 1 4 4 THR HA H 4 4.104 4.104 4.412 -0.308 17661
6 1 . 1 1 4 4 THR H H 4 8.058 8.058 8.500 -0.443 17661
7 1 . 1 1 5 5 ASP HA H 5 4.494 4.494 4.311 0.183 17661
8 1 . 1 1 5 5 ASP H H 5 8.871 8.871 8.716 0.155 17661
9 1 . 1 1 6 6 MET HA H 6 4.630 4.630 4.597 0.033 17661
10 1 . 1 1 6 6 MET H H 6 7.903 7.903 7.585 0.318 17661
11 1 . 1 1 7 7 SER HA H 7 4.471 4.471 4.570 -0.099 17661
12 1 . 1 1 7 7 SER H H 7 8.179 8.179 8.730 -0.551 17661
13 1 . 1 1 8 8 ASP HA H 8 4.385 4.385 4.274 0.111 17661
14 1 . 1 1 8 8 ASP H H 8 8.809 8.809 8.672 0.137 17661
15 1 . 1 1 9 9 LEU HA H 9 4.048 4.048 4.103 -0.055 17661
16 1 . 1 1 9 9 LEU H H 9 8.331 8.331 7.960 0.371 17661
17 1 . 1 1 10 10 GLU HA H 10 4.069 4.069 4.068 0.001 17661
18 1 . 1 1 10 10 GLU H H 10 7.757 7.757 8.439 -0.682 17661
19 1 . 1 1 11 11 CYS HA H 11 4.585 4.585 4.658 -0.073 17661
20 1 . 1 1 11 11 CYS H H 11 8.510 8.510 7.902 0.608 17661
21 1 . 1 1 12 12 MET HA H 12 4.097 4.097 3.889 0.208 17661
22 1 . 1 1 12 12 MET H H 12 8.203 8.203 8.076 0.127 17661
23 1 . 1 1 13 13 ASN HA H 13 4.469 4.469 4.515 -0.046 17661
24 1 . 1 1 13 13 ASN H H 13 7.819 7.819 8.176 -0.357 17661
25 1 . 1 1 14 14 PHE HA H 14 4.375 4.375 4.468 -0.093 17661
26 1 . 1 1 14 14 PHE H H 14 8.408 8.408 8.173 0.235 17661
27 1 . 1 1 15 15 CYS HA H 15 4.631 4.631 3.753 0.878 17661
28 1 . 1 1 15 15 CYS H H 15 8.416 8.416 7.668 0.748 17661
29 1 . 1 1 16 16 HIS HA H 16 4.628 4.628 4.590 0.038 17661
30 1 . 1 1 16 16 HIS H H 16 7.847 7.847 8.116 -0.269 17661
31 1 . 1 1 17 17 LYS HA H 17 4.268 4.268 4.182 0.086 17661
32 1 . 1 1 17 17 LYS H H 17 7.969 7.969 7.723 0.246 17661
33 1 . 1 1 18 18 ASP HA H 18 4.650 4.650 4.599 0.050 17661
34 1 . 1 1 18 18 ASP H H 18 8.353 8.353 7.872 0.481 17661
35 1 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.280 0.749 17661
36 1 . 1 1 19 19 VAL H H 19 7.901 7.901 7.359 0.542 17661
37 1 . 1 1 20 20 ILE HA H 20 4.108 4.108 3.997 0.111 17661
38 1 . 1 1 20 20 ILE H H 20 8.032 8.032 8.092 -0.060 17661
39 1 . 1 1 21 21 TRP HA H 21 4.657 4.657 4.766 -0.109 17661
40 1 . 1 1 21 21 TRP H H 21 8.230 8.230 7.366 0.864 17661
41 1 . 1 1 22 22 VAL HA H 22 3.958 3.958 3.921 0.037 17661
42 1 . 1 1 22 22 VAL H H 22 7.795 7.795 7.355 0.440 17661
43 1 . 1 1 23 23 ASN HA H 23 4.510 4.510 4.721 -0.211 17661
44 1 . 1 1 23 23 ASN H H 23 8.308 8.308 8.175 0.134 17661
45 1 . 1 1 24 24 ARG HA H 24 4.282 4.282 4.396 -0.114 17661
46 1 . 1 1 24 24 ARG H H 24 8.214 8.214 8.445 -0.231 17661
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