data_25300
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25300
_Entry.PDB_ID 2MW6
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 25300
_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 4.042 4.042 3.856 0.186 25300
2 1 1 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.289 -2.860 25300
3 1 1 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.274 -2.134 25300
4 1 1 . 1 1 2 2 ILE H H 2 9.067 9.067 8.237 0.830 25300
5 1 1 . 1 1 3 3 GLY H H 3 8.961 8.961 8.352 0.609 25300
6 1 1 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.290 -0.210 25300
7 1 1 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.514 -1.864 25300
8 1 1 . 1 1 4 4 ALA H H 4 7.928 7.928 7.965 -0.037 25300
9 1 1 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.781 -0.202 25300
10 1 1 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.302 -1.392 25300
11 1 1 . 1 1 5 5 VAL H H 5 7.493 7.493 7.874 -0.381 25300
12 1 1 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.371 -0.281 25300
13 1 1 . 1 1 6 6 LEU H H 6 8.260 8.260 7.768 0.492 25300
14 1 1 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.188 -0.098 25300
15 1 1 . 1 1 7 7 LYS H H 7 8.260 8.260 7.879 0.381 25300
16 1 1 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.033 -0.334 25300
17 1 1 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.395 1.005 25300
18 1 1 . 1 1 8 8 VAL H H 8 8.153 8.153 7.588 0.565 25300
19 1 1 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.519 -0.362 25300
20 1 1 . 1 1 9 9 LEU H H 9 8.324 8.324 7.405 0.919 25300
21 1 1 . 1 1 10 10 THR HA H 10 4.150 4.150 4.468 -0.318 25300
22 1 1 . 1 1 10 10 THR CA C 10 62.650 62.650 62.951 -0.301 25300
23 1 1 . 1 1 10 10 THR CB C 10 66.900 66.900 68.969 -2.069 25300
24 1 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.454 0.678 25300
25 1 1 . 1 1 11 11 THR HA H 11 4.313 4.313 4.466 -0.153 25300
26 1 1 . 1 1 11 11 THR CA C 11 61.730 61.730 62.144 -0.414 25300
27 1 1 . 1 1 11 11 THR CB C 11 67.410 67.410 70.480 -3.070 25300
28 1 1 . 1 1 11 11 THR H H 11 7.869 7.869 7.588 0.281 25300
29 1 1 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.736 -1.496 25300
30 1 1 . 1 1 12 12 GLY H H 12 8.188 8.188 8.174 0.014 25300
31 1 1 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.804 -0.416 25300
32 1 1 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.660 0.100 25300
33 1 1 . 1 1 13 13 LEU H H 13 8.321 8.321 8.192 0.129 25300
34 1 1 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.426 -0.186 25300
35 1 1 . 1 1 14 14 PRO CA C 14 64.110 64.110 65.017 -0.907 25300
36 1 1 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.385 -0.196 25300
37 1 1 . 1 1 15 15 ALA H H 15 7.554 7.554 8.498 -0.944 25300
38 1 1 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.155 0.080 25300
39 1 1 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.551 -1.601 25300
40 1 1 . 1 1 16 16 LEU H H 16 8.166 8.166 7.549 0.617 25300
41 1 1 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.816 -0.088 25300
42 1 1 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.194 -0.734 25300
43 1 1 . 1 1 17 17 ILE H H 17 8.611 8.611 7.562 1.049 25300
44 1 1 . 1 1 18 18 SER HA H 18 4.123 4.123 4.288 -0.165 25300
45 1 1 . 1 1 18 18 SER CA C 18 54.950 54.950 62.137 -7.187 25300
46 1 1 . 1 1 18 18 SER CB C 18 55.830 55.830 62.773 -6.943 25300
47 1 1 . 1 1 18 18 SER H H 18 8.395 8.395 8.073 0.322 25300
48 1 1 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.437 -0.289 25300
49 1 1 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.240 -2.421 25300
50 1 1 . 1 1 19 19 TRP H H 19 8.436 8.436 7.814 0.622 25300
51 1 1 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.891 -0.351 25300
52 1 1 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.512 -1.212 25300
53 1 1 . 1 1 20 20 ILE H H 20 8.564 8.564 8.104 0.460 25300
54 1 1 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.102 -0.212 25300
55 1 1 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.493 -1.593 25300
56 1 1 . 1 1 21 21 LYS H H 21 8.594 8.594 7.918 0.676 25300
57 1 1 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.150 -0.059 25300
58 1 1 . 1 1 22 22 ARG H H 22 8.260 8.260 7.878 0.382 25300
59 1 1 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.211 -0.061 25300
60 1 1 . 1 1 23 23 LYS H H 23 8.325 8.325 7.735 0.590 25300
61 1 1 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.288 -0.194 25300
62 1 1 . 1 1 24 24 ARG H H 24 8.222 8.222 7.846 0.376 25300
63 1 1 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300
64 1 1 . 1 1 25 25 GLN H H 25 7.986 7.986 7.886 0.100 25300
65 1 2 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.922 0.120 25300
66 1 2 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.499 -3.070 25300
67 1 2 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.998 -1.857 25300
68 1 2 . 1 1 2 2 ILE H H 2 9.067 9.067 8.306 0.761 25300
69 1 2 . 1 1 3 3 GLY H H 3 8.961 8.961 8.353 0.608 25300
70 1 2 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.272 -0.192 25300
71 1 2 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.470 -1.820 25300
72 1 2 . 1 1 4 4 ALA H H 4 7.928 7.928 8.021 -0.093 25300
73 1 2 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.638 -0.059 25300
74 1 2 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.823 -1.913 25300
75 1 2 . 1 1 5 5 VAL H H 5 7.493 7.493 7.921 -0.428 25300
76 1 2 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.091 -0.001 25300
77 1 2 . 1 1 6 6 LEU H H 6 8.260 8.260 7.770 0.490 25300
78 1 2 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.138 -0.048 25300
79 1 2 . 1 1 7 7 LYS H H 7 8.260 8.260 7.757 0.503 25300
80 1 2 . 1 1 8 8 VAL HA H 8 3.699 3.699 3.962 -0.263 25300
81 1 2 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.700 -0.300 25300
82 1 2 . 1 1 8 8 VAL H H 8 8.153 8.153 7.745 0.408 25300
83 1 2 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.426 -0.269 25300
84 1 2 . 1 1 9 9 LEU H H 9 8.324 8.324 7.517 0.807 25300
85 1 2 . 1 1 10 10 THR HA H 10 4.150 4.150 4.319 -0.169 25300
86 1 2 . 1 1 10 10 THR CA C 10 62.650 62.650 63.792 -1.142 25300
87 1 2 . 1 1 10 10 THR CB C 10 66.900 66.900 69.505 -2.605 25300
88 1 2 . 1 1 10 10 THR H H 10 8.132 8.132 7.620 0.512 25300
89 1 2 . 1 1 11 11 THR HA H 11 4.313 4.313 4.410 -0.097 25300
90 1 2 . 1 1 11 11 THR CA C 11 61.730 61.730 62.789 -1.059 25300
91 1 2 . 1 1 11 11 THR CB C 11 67.410 67.410 69.955 -2.545 25300
92 1 2 . 1 1 11 11 THR H H 11 7.869 7.869 7.596 0.273 25300
93 1 2 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.703 -1.463 25300
94 1 2 . 1 1 12 12 GLY H H 12 8.188 8.188 7.723 0.465 25300
95 1 2 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.846 -0.458 25300
96 1 2 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.487 0.273 25300
97 1 2 . 1 1 13 13 LEU H H 13 8.321 8.321 7.908 0.413 25300
98 1 2 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.562 -0.322 25300
99 1 2 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.401 -0.291 25300
100 1 2 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.370 -0.181 25300
101 1 2 . 1 1 15 15 ALA H H 15 7.554 7.554 8.416 -0.862 25300
102 1 2 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.215 0.020 25300
103 1 2 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.736 -1.786 25300
104 1 2 . 1 1 16 16 LEU H H 16 8.166 8.166 7.688 0.478 25300
105 1 2 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.809 -0.081 25300
106 1 2 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.334 -0.874 25300
107 1 2 . 1 1 17 17 ILE H H 17 8.611 8.611 7.700 0.911 25300
108 1 2 . 1 1 18 18 SER HA H 18 4.123 4.123 4.288 -0.165 25300
109 1 2 . 1 1 18 18 SER CA C 18 54.950 54.950 62.180 -7.230 25300
110 1 2 . 1 1 18 18 SER CB C 18 55.830 55.830 62.804 -6.974 25300
111 1 2 . 1 1 18 18 SER H H 18 8.395 8.395 8.106 0.289 25300
112 1 2 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.447 -0.299 25300
113 1 2 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.253 -2.433 25300
114 1 2 . 1 1 19 19 TRP H H 19 8.436 8.436 7.826 0.610 25300
115 1 2 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.896 -0.356 25300
116 1 2 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.516 -1.216 25300
117 1 2 . 1 1 20 20 ILE H H 20 8.564 8.564 8.077 0.487 25300
118 1 2 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.098 -0.208 25300
119 1 2 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.541 -1.641 25300
120 1 2 . 1 1 21 21 LYS H H 21 8.594 8.594 7.923 0.671 25300
121 1 2 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.147 -0.056 25300
122 1 2 . 1 1 22 22 ARG H H 22 8.260 8.260 7.874 0.386 25300
123 1 2 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.208 -0.058 25300
124 1 2 . 1 1 23 23 LYS H H 23 8.325 8.325 7.728 0.597 25300
125 1 2 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.287 -0.193 25300
126 1 2 . 1 1 24 24 ARG H H 24 8.222 8.222 7.860 0.362 25300
127 1 2 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.272 -0.152 25300
128 1 2 . 1 1 25 25 GLN H H 25 7.986 7.986 7.894 0.092 25300
129 1 3 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.932 0.110 25300
130 1 3 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.904 -3.474 25300
131 1 3 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.181 -2.041 25300
132 1 3 . 1 1 2 2 ILE H H 2 9.067 9.067 8.488 0.579 25300
133 1 3 . 1 1 3 3 GLY H H 3 8.961 8.961 8.336 0.625 25300
134 1 3 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.286 -0.206 25300
135 1 3 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.440 -1.790 25300
136 1 3 . 1 1 4 4 ALA H H 4 7.928 7.928 7.920 0.008 25300
137 1 3 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.768 -0.189 25300
138 1 3 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.372 -1.462 25300
139 1 3 . 1 1 5 5 VAL H H 5 7.493 7.493 7.860 -0.367 25300
140 1 3 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.325 -0.235 25300
141 1 3 . 1 1 6 6 LEU H H 6 8.260 8.260 7.764 0.496 25300
142 1 3 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.212 -0.122 25300
143 1 3 . 1 1 7 7 LYS H H 7 8.260 8.260 7.845 0.415 25300
144 1 3 . 1 1 8 8 VAL HA H 8 3.699 3.699 3.958 -0.259 25300
145 1 3 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.159 0.241 25300
146 1 3 . 1 1 8 8 VAL H H 8 8.153 8.153 7.564 0.589 25300
147 1 3 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.415 -0.258 25300
148 1 3 . 1 1 9 9 LEU H H 9 8.324 8.324 7.414 0.910 25300
149 1 3 . 1 1 10 10 THR HA H 10 4.150 4.150 4.500 -0.350 25300
150 1 3 . 1 1 10 10 THR CA C 10 62.650 62.650 63.184 -0.534 25300
151 1 3 . 1 1 10 10 THR CB C 10 66.900 66.900 67.223 -0.323 25300
152 1 3 . 1 1 10 10 THR H H 10 8.132 8.132 7.693 0.439 25300
153 1 3 . 1 1 11 11 THR HA H 11 4.313 4.313 4.486 -0.173 25300
154 1 3 . 1 1 11 11 THR CA C 11 61.730 61.730 62.203 -0.473 25300
155 1 3 . 1 1 11 11 THR CB C 11 67.410 67.410 70.599 -3.189 25300
156 1 3 . 1 1 11 11 THR H H 11 7.869 7.869 7.721 0.148 25300
157 1 3 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.270 -2.030 25300
158 1 3 . 1 1 12 12 GLY H H 12 8.188 8.188 8.078 0.110 25300
159 1 3 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.751 -0.363 25300
160 1 3 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.445 0.315 25300
161 1 3 . 1 1 13 13 LEU H H 13 8.321 8.321 8.496 -0.175 25300
162 1 3 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.380 -0.140 25300
163 1 3 . 1 1 14 14 PRO CA C 14 64.110 64.110 65.115 -1.005 25300
164 1 3 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.394 -0.205 25300
165 1 3 . 1 1 15 15 ALA H H 15 7.554 7.554 8.429 -0.875 25300
166 1 3 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.115 0.120 25300
167 1 3 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.494 -1.544 25300
168 1 3 . 1 1 16 16 LEU H H 16 8.166 8.166 7.535 0.631 25300
169 1 3 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.818 -0.090 25300
170 1 3 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.540 -1.080 25300
171 1 3 . 1 1 17 17 ILE H H 17 8.611 8.611 7.609 1.002 25300
172 1 3 . 1 1 18 18 SER HA H 18 4.123 4.123 4.313 -0.190 25300
173 1 3 . 1 1 18 18 SER CA C 18 54.950 54.950 61.893 -6.943 25300
174 1 3 . 1 1 18 18 SER CB C 18 55.830 55.830 62.990 -7.160 25300
175 1 3 . 1 1 18 18 SER H H 18 8.395 8.395 8.073 0.322 25300
176 1 3 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.468 -0.320 25300
177 1 3 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.507 -2.687 25300
178 1 3 . 1 1 19 19 TRP H H 19 8.436 8.436 7.838 0.598 25300
179 1 3 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.889 -0.349 25300
180 1 3 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.531 -1.230 25300
181 1 3 . 1 1 20 20 ILE H H 20 8.564 8.564 8.086 0.478 25300
182 1 3 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.103 -0.213 25300
183 1 3 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.515 -1.615 25300
184 1 3 . 1 1 21 21 LYS H H 21 8.594 8.594 7.936 0.658 25300
185 1 3 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.151 -0.060 25300
186 1 3 . 1 1 22 22 ARG H H 22 8.260 8.260 7.864 0.396 25300
187 1 3 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.182 -0.032 25300
188 1 3 . 1 1 23 23 LYS H H 23 8.325 8.325 7.720 0.605 25300
189 1 3 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.278 -0.184 25300
190 1 3 . 1 1 24 24 ARG H H 24 8.222 8.222 7.867 0.355 25300
191 1 3 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.252 -0.132 25300
192 1 3 . 1 1 25 25 GLN H H 25 7.986 7.986 7.878 0.108 25300
193 1 4 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.948 0.094 25300
194 1 4 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.088 -2.658 25300
195 1 4 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.270 -2.130 25300
196 1 4 . 1 1 2 2 ILE H H 2 9.067 9.067 8.632 0.435 25300
197 1 4 . 1 1 3 3 GLY H H 3 8.961 8.961 8.488 0.473 25300
198 1 4 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.244 -0.164 25300
199 1 4 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.425 -1.775 25300
200 1 4 . 1 1 4 4 ALA H H 4 7.928 7.928 7.330 0.598 25300
201 1 4 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.636 -0.057 25300
202 1 4 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.438 -1.528 25300
203 1 4 . 1 1 5 5 VAL H H 5 7.493 7.493 7.878 -0.385 25300
204 1 4 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.124 -0.034 25300
205 1 4 . 1 1 6 6 LEU H H 6 8.260 8.260 7.898 0.362 25300
206 1 4 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.154 -0.064 25300
207 1 4 . 1 1 7 7 LYS H H 7 8.260 8.260 7.828 0.432 25300
208 1 4 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.124 -0.425 25300
209 1 4 . 1 1 8 8 VAL CA C 8 64.400 64.400 62.357 2.043 25300
210 1 4 . 1 1 8 8 VAL H H 8 8.153 8.153 7.411 0.742 25300
211 1 4 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.403 -0.246 25300
212 1 4 . 1 1 9 9 LEU H H 9 8.324 8.324 7.155 1.169 25300
213 1 4 . 1 1 10 10 THR HA H 10 4.150 4.150 4.254 -0.104 25300
214 1 4 . 1 1 10 10 THR CA C 10 62.650 62.650 64.143 -1.493 25300
215 1 4 . 1 1 10 10 THR CB C 10 66.900 66.900 69.322 -2.422 25300
216 1 4 . 1 1 10 10 THR H H 10 8.132 8.132 7.947 0.185 25300
217 1 4 . 1 1 11 11 THR HA H 11 4.313 4.313 4.395 -0.082 25300
218 1 4 . 1 1 11 11 THR CA C 11 61.730 61.730 61.974 -0.244 25300
219 1 4 . 1 1 11 11 THR CB C 11 67.410 67.410 69.377 -1.967 25300
220 1 4 . 1 1 11 11 THR H H 11 7.869 7.869 7.867 0.002 25300
221 1 4 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.507 -1.267 25300
222 1 4 . 1 1 12 12 GLY H H 12 8.188 8.188 8.005 0.183 25300
223 1 4 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.828 -0.440 25300
224 1 4 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.538 0.222 25300
225 1 4 . 1 1 13 13 LEU H H 13 8.321 8.321 8.426 -0.105 25300
226 1 4 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.495 -0.255 25300
227 1 4 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.671 -0.561 25300
228 1 4 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.397 -0.208 25300
229 1 4 . 1 1 15 15 ALA H H 15 7.554 7.554 8.408 -0.854 25300
230 1 4 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.196 0.039 25300
231 1 4 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.918 -1.968 25300
232 1 4 . 1 1 16 16 LEU H H 16 8.166 8.166 7.576 0.590 25300
233 1 4 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.833 -0.105 25300
234 1 4 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.417 -0.957 25300
235 1 4 . 1 1 17 17 ILE H H 17 8.611 8.611 7.525 1.086 25300
236 1 4 . 1 1 18 18 SER HA H 18 4.123 4.123 4.276 -0.153 25300
237 1 4 . 1 1 18 18 SER CA C 18 54.950 54.950 62.078 -7.128 25300
238 1 4 . 1 1 18 18 SER CB C 18 55.830 55.830 63.027 -7.197 25300
239 1 4 . 1 1 18 18 SER H H 18 8.395 8.395 8.053 0.342 25300
240 1 4 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.451 -0.303 25300
241 1 4 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.264 -2.445 25300
242 1 4 . 1 1 19 19 TRP H H 19 8.436 8.436 7.741 0.695 25300
243 1 4 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.909 -0.369 25300
244 1 4 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.414 -1.114 25300
245 1 4 . 1 1 20 20 ILE H H 20 8.564 8.564 8.042 0.522 25300
246 1 4 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.100 -0.210 25300
247 1 4 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.571 -1.671 25300
248 1 4 . 1 1 21 21 LYS H H 21 8.594 8.594 7.950 0.644 25300
249 1 4 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.152 -0.061 25300
250 1 4 . 1 1 22 22 ARG H H 22 8.260 8.260 7.886 0.374 25300
251 1 4 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.215 -0.065 25300
252 1 4 . 1 1 23 23 LYS H H 23 8.325 8.325 7.739 0.586 25300
253 1 4 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.302 -0.208 25300
254 1 4 . 1 1 24 24 ARG H H 24 8.222 8.222 7.844 0.378 25300
255 1 4 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300
256 1 4 . 1 1 25 25 GLN H H 25 7.986 7.986 7.889 0.097 25300
257 1 5 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.025 0.017 25300
258 1 5 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.623 -3.193 25300
259 1 5 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.817 -1.677 25300
260 1 5 . 1 1 2 2 ILE H H 2 9.067 9.067 8.551 0.516 25300
261 1 5 . 1 1 3 3 GLY H H 3 8.961 8.961 8.461 0.500 25300
262 1 5 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.262 -0.182 25300
263 1 5 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.548 -1.898 25300
264 1 5 . 1 1 4 4 ALA H H 4 7.928 7.928 7.971 -0.043 25300
265 1 5 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.612 -0.033 25300
266 1 5 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.944 -2.034 25300
267 1 5 . 1 1 5 5 VAL H H 5 7.493 7.493 7.898 -0.405 25300
268 1 5 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.054 0.036 25300
269 1 5 . 1 1 6 6 LEU H H 6 8.260 8.260 7.941 0.319 25300
270 1 5 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.087 0.003 25300
271 1 5 . 1 1 7 7 LYS H H 7 8.260 8.260 7.593 0.667 25300
272 1 5 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.124 -0.425 25300
273 1 5 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.567 -0.167 25300
274 1 5 . 1 1 8 8 VAL H H 8 8.153 8.153 7.785 0.368 25300
275 1 5 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.485 -0.328 25300
276 1 5 . 1 1 9 9 LEU H H 9 8.324 8.324 7.601 0.723 25300
277 1 5 . 1 1 10 10 THR HA H 10 4.150 4.150 4.233 -0.083 25300
278 1 5 . 1 1 10 10 THR CA C 10 62.650 62.650 64.091 -1.441 25300
279 1 5 . 1 1 10 10 THR CB C 10 66.900 66.900 68.959 -2.059 25300
280 1 5 . 1 1 10 10 THR H H 10 8.132 8.132 7.910 0.222 25300
281 1 5 . 1 1 11 11 THR HA H 11 4.313 4.313 4.489 -0.176 25300
282 1 5 . 1 1 11 11 THR CA C 11 61.730 61.730 62.215 -0.485 25300
283 1 5 . 1 1 11 11 THR CB C 11 67.410 67.410 69.799 -2.389 25300
284 1 5 . 1 1 11 11 THR H H 11 7.869 7.869 7.640 0.229 25300
285 1 5 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.850 -1.610 25300
286 1 5 . 1 1 12 12 GLY H H 12 8.188 8.188 7.704 0.484 25300
287 1 5 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.724 -0.336 25300
288 1 5 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.885 -0.124 25300
289 1 5 . 1 1 13 13 LEU H H 13 8.321 8.321 8.198 0.123 25300
290 1 5 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.582 -0.342 25300
291 1 5 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.468 -0.358 25300
292 1 5 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.337 -0.148 25300
293 1 5 . 1 1 15 15 ALA H H 15 7.554 7.554 8.308 -0.754 25300
294 1 5 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.117 0.118 25300
295 1 5 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.963 -2.013 25300
296 1 5 . 1 1 16 16 LEU H H 16 8.166 8.166 7.769 0.397 25300
297 1 5 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.820 -0.092 25300
298 1 5 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.396 -0.936 25300
299 1 5 . 1 1 17 17 ILE H H 17 8.611 8.611 7.511 1.100 25300
300 1 5 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300
301 1 5 . 1 1 18 18 SER CA C 18 54.950 54.950 61.563 -6.613 25300
302 1 5 . 1 1 18 18 SER CB C 18 55.830 55.830 62.718 -6.888 25300
303 1 5 . 1 1 18 18 SER H H 18 8.395 8.395 8.133 0.262 25300
304 1 5 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.469 -0.321 25300
305 1 5 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.492 -2.672 25300
306 1 5 . 1 1 19 19 TRP H H 19 8.436 8.436 7.979 0.457 25300
307 1 5 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.871 -0.331 25300
308 1 5 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.610 -1.310 25300
309 1 5 . 1 1 20 20 ILE H H 20 8.564 8.564 8.094 0.470 25300
310 1 5 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.081 -0.191 25300
311 1 5 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.599 -1.699 25300
312 1 5 . 1 1 21 21 LYS H H 21 8.594 8.594 7.953 0.641 25300
313 1 5 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.131 -0.040 25300
314 1 5 . 1 1 22 22 ARG H H 22 8.260 8.260 7.897 0.363 25300
315 1 5 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.178 -0.028 25300
316 1 5 . 1 1 23 23 LYS H H 23 8.325 8.325 7.830 0.495 25300
317 1 5 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.290 -0.196 25300
318 1 5 . 1 1 24 24 ARG H H 24 8.222 8.222 7.742 0.480 25300
319 1 5 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.254 -0.134 25300
320 1 5 . 1 1 25 25 GLN H H 25 7.986 7.986 7.867 0.119 25300
321 1 6 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.078 -0.036 25300
322 1 6 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.755 -3.325 25300
323 1 6 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.691 -1.551 25300
324 1 6 . 1 1 2 2 ILE H H 2 9.067 9.067 8.465 0.602 25300
325 1 6 . 1 1 3 3 GLY H H 3 8.961 8.961 8.442 0.519 25300
326 1 6 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.241 -0.161 25300
327 1 6 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.565 -1.915 25300
328 1 6 . 1 1 4 4 ALA H H 4 7.928 7.928 7.919 0.009 25300
329 1 6 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.617 -0.038 25300
330 1 6 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.820 -1.910 25300
331 1 6 . 1 1 5 5 VAL H H 5 7.493 7.493 7.861 -0.368 25300
332 1 6 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.045 0.045 25300
333 1 6 . 1 1 6 6 LEU H H 6 8.260 8.260 7.883 0.377 25300
334 1 6 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.096 -0.006 25300
335 1 6 . 1 1 7 7 LYS H H 7 8.260 8.260 7.666 0.594 25300
336 1 6 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.171 -0.472 25300
337 1 6 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.195 0.204 25300
338 1 6 . 1 1 8 8 VAL H H 8 8.153 8.153 7.734 0.419 25300
339 1 6 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.496 -0.339 25300
340 1 6 . 1 1 9 9 LEU H H 9 8.324 8.324 7.383 0.941 25300
341 1 6 . 1 1 10 10 THR HA H 10 4.150 4.150 4.274 -0.124 25300
342 1 6 . 1 1 10 10 THR CA C 10 62.650 62.650 63.956 -1.306 25300
343 1 6 . 1 1 10 10 THR CB C 10 66.900 66.900 69.178 -2.278 25300
344 1 6 . 1 1 10 10 THR H H 10 8.132 8.132 7.772 0.360 25300
345 1 6 . 1 1 11 11 THR HA H 11 4.313 4.313 4.473 -0.160 25300
346 1 6 . 1 1 11 11 THR CA C 11 61.730 61.730 62.078 -0.348 25300
347 1 6 . 1 1 11 11 THR CB C 11 67.410 67.410 69.608 -2.197 25300
348 1 6 . 1 1 11 11 THR H H 11 7.869 7.869 7.746 0.123 25300
349 1 6 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.751 -1.511 25300
350 1 6 . 1 1 12 12 GLY H H 12 8.188 8.188 7.796 0.392 25300
351 1 6 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.833 -0.445 25300
352 1 6 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.854 -0.094 25300
353 1 6 . 1 1 13 13 LEU H H 13 8.321 8.321 8.106 0.215 25300
354 1 6 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.579 -0.339 25300
355 1 6 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.496 -0.386 25300
356 1 6 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.344 -0.155 25300
357 1 6 . 1 1 15 15 ALA H H 15 7.554 7.554 8.305 -0.751 25300
358 1 6 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.109 0.126 25300
359 1 6 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.959 -2.009 25300
360 1 6 . 1 1 16 16 LEU H H 16 8.166 8.166 7.757 0.409 25300
361 1 6 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.824 -0.096 25300
362 1 6 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.409 -0.949 25300
363 1 6 . 1 1 17 17 ILE H H 17 8.611 8.611 7.505 1.106 25300
364 1 6 . 1 1 18 18 SER HA H 18 4.123 4.123 4.330 -0.207 25300
365 1 6 . 1 1 18 18 SER CA C 18 54.950 54.950 61.538 -6.588 25300
366 1 6 . 1 1 18 18 SER CB C 18 55.830 55.830 62.736 -6.906 25300
367 1 6 . 1 1 18 18 SER H H 18 8.395 8.395 8.143 0.252 25300
368 1 6 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.477 -0.329 25300
369 1 6 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.483 -2.663 25300
370 1 6 . 1 1 19 19 TRP H H 19 8.436 8.436 7.970 0.466 25300
371 1 6 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.875 -0.335 25300
372 1 6 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.569 -1.268 25300
373 1 6 . 1 1 20 20 ILE H H 20 8.564 8.564 8.051 0.513 25300
374 1 6 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.084 -0.194 25300
375 1 6 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.571 -1.671 25300
376 1 6 . 1 1 21 21 LYS H H 21 8.594 8.594 7.954 0.640 25300
377 1 6 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.133 -0.043 25300
378 1 6 . 1 1 22 22 ARG H H 22 8.260 8.260 7.888 0.372 25300
379 1 6 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.180 -0.030 25300
380 1 6 . 1 1 23 23 LYS H H 23 8.325 8.325 7.836 0.489 25300
381 1 6 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.294 -0.200 25300
382 1 6 . 1 1 24 24 ARG H H 24 8.222 8.222 7.746 0.476 25300
383 1 6 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.255 -0.135 25300
384 1 6 . 1 1 25 25 GLN H H 25 7.986 7.986 7.873 0.113 25300
385 1 7 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.035 0.007 25300
386 1 7 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.691 -3.261 25300
387 1 7 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.673 -1.533 25300
388 1 7 . 1 1 2 2 ILE H H 2 9.067 9.067 8.499 0.568 25300
389 1 7 . 1 1 3 3 GLY H H 3 8.961 8.961 8.419 0.542 25300
390 1 7 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.236 -0.156 25300
391 1 7 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.581 -1.931 25300
392 1 7 . 1 1 4 4 ALA H H 4 7.928 7.928 8.008 -0.080 25300
393 1 7 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.612 -0.033 25300
394 1 7 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.844 -1.934 25300
395 1 7 . 1 1 5 5 VAL H H 5 7.493 7.493 7.893 -0.400 25300
396 1 7 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.042 0.048 25300
397 1 7 . 1 1 6 6 LEU H H 6 8.260 8.260 7.876 0.384 25300
398 1 7 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.100 -0.010 25300
399 1 7 . 1 1 7 7 LYS H H 7 8.260 8.260 7.674 0.586 25300
400 1 7 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.183 -0.484 25300
401 1 7 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.316 0.084 25300
402 1 7 . 1 1 8 8 VAL H H 8 8.153 8.153 7.765 0.388 25300
403 1 7 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.480 -0.323 25300
404 1 7 . 1 1 9 9 LEU H H 9 8.324 8.324 7.401 0.923 25300
405 1 7 . 1 1 10 10 THR HA H 10 4.150 4.150 4.263 -0.113 25300
406 1 7 . 1 1 10 10 THR CA C 10 62.650 62.650 64.022 -1.372 25300
407 1 7 . 1 1 10 10 THR CB C 10 66.900 66.900 69.187 -2.287 25300
408 1 7 . 1 1 10 10 THR H H 10 8.132 8.132 7.772 0.360 25300
409 1 7 . 1 1 11 11 THR HA H 11 4.313 4.313 4.460 -0.147 25300
410 1 7 . 1 1 11 11 THR CA C 11 61.730 61.730 62.261 -0.531 25300
411 1 7 . 1 1 11 11 THR CB C 11 67.410 67.410 69.554 -2.144 25300
412 1 7 . 1 1 11 11 THR H H 11 7.869 7.869 7.815 0.054 25300
413 1 7 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.719 -1.479 25300
414 1 7 . 1 1 12 12 GLY H H 12 8.188 8.188 7.762 0.426 25300
415 1 7 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.833 -0.445 25300
416 1 7 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.882 -0.122 25300
417 1 7 . 1 1 13 13 LEU H H 13 8.321 8.321 8.096 0.225 25300
418 1 7 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.578 -0.338 25300
419 1 7 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.509 -0.399 25300
420 1 7 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.342 -0.153 25300
421 1 7 . 1 1 15 15 ALA H H 15 7.554 7.554 8.321 -0.767 25300
422 1 7 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.114 0.121 25300
423 1 7 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.968 -2.018 25300
424 1 7 . 1 1 16 16 LEU H H 16 8.166 8.166 7.734 0.432 25300
425 1 7 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.819 -0.091 25300
426 1 7 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.398 -0.938 25300
427 1 7 . 1 1 17 17 ILE H H 17 8.611 8.611 7.505 1.106 25300
428 1 7 . 1 1 18 18 SER HA H 18 4.123 4.123 4.331 -0.208 25300
429 1 7 . 1 1 18 18 SER CA C 18 54.950 54.950 61.549 -6.599 25300
430 1 7 . 1 1 18 18 SER CB C 18 55.830 55.830 62.728 -6.898 25300
431 1 7 . 1 1 18 18 SER H H 18 8.395 8.395 8.156 0.239 25300
432 1 7 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.477 -0.329 25300
433 1 7 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.480 -2.660 25300
434 1 7 . 1 1 19 19 TRP H H 19 8.436 8.436 7.977 0.459 25300
435 1 7 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.876 -0.336 25300
436 1 7 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.569 -1.269 25300
437 1 7 . 1 1 20 20 ILE H H 20 8.564 8.564 8.072 0.492 25300
438 1 7 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.083 -0.193 25300
439 1 7 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.568 -1.668 25300
440 1 7 . 1 1 21 21 LYS H H 21 8.594 8.594 7.950 0.644 25300
441 1 7 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.133 -0.042 25300
442 1 7 . 1 1 22 22 ARG H H 22 8.260 8.260 7.896 0.364 25300
443 1 7 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.179 -0.029 25300
444 1 7 . 1 1 23 23 LYS H H 23 8.325 8.325 7.826 0.499 25300
445 1 7 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.296 -0.202 25300
446 1 7 . 1 1 24 24 ARG H H 24 8.222 8.222 7.749 0.473 25300
447 1 7 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.253 -0.133 25300
448 1 7 . 1 1 25 25 GLN H H 25 7.986 7.986 7.870 0.116 25300
449 1 8 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.067 -0.025 25300
450 1 8 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.713 -3.283 25300
451 1 8 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.698 -1.558 25300
452 1 8 . 1 1 2 2 ILE H H 2 9.067 9.067 8.475 0.592 25300
453 1 8 . 1 1 3 3 GLY H H 3 8.961 8.961 8.449 0.512 25300
454 1 8 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.248 -0.168 25300
455 1 8 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.452 -1.802 25300
456 1 8 . 1 1 4 4 ALA H H 4 7.928 7.928 7.364 0.564 25300
457 1 8 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.675 -0.096 25300
458 1 8 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.520 -1.610 25300
459 1 8 . 1 1 5 5 VAL H H 5 7.493 7.493 7.881 -0.388 25300
460 1 8 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.104 -0.014 25300
461 1 8 . 1 1 6 6 LEU H H 6 8.260 8.260 7.956 0.304 25300
462 1 8 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.134 -0.044 25300
463 1 8 . 1 1 7 7 LYS H H 7 8.260 8.260 7.817 0.443 25300
464 1 8 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.020 -0.321 25300
465 1 8 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.172 1.228 25300
466 1 8 . 1 1 8 8 VAL H H 8 8.153 8.153 7.468 0.685 25300
467 1 8 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.337 -0.180 25300
468 1 8 . 1 1 9 9 LEU H H 9 8.324 8.324 7.459 0.865 25300
469 1 8 . 1 1 10 10 THR HA H 10 4.150 4.150 4.377 -0.227 25300
470 1 8 . 1 1 10 10 THR CA C 10 62.650 62.650 62.820 -0.170 25300
471 1 8 . 1 1 10 10 THR CB C 10 66.900 66.900 67.633 -0.733 25300
472 1 8 . 1 1 10 10 THR H H 10 8.132 8.132 7.945 0.187 25300
473 1 8 . 1 1 11 11 THR HA H 11 4.313 4.313 4.532 -0.219 25300
474 1 8 . 1 1 11 11 THR CA C 11 61.730 61.730 62.121 -0.391 25300
475 1 8 . 1 1 11 11 THR CB C 11 67.410 67.410 70.662 -3.252 25300
476 1 8 . 1 1 11 11 THR H H 11 7.869 7.869 7.612 0.257 25300
477 1 8 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.045 -1.805 25300
478 1 8 . 1 1 12 12 GLY H H 12 8.188 8.188 8.044 0.144 25300
479 1 8 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.763 -0.375 25300
480 1 8 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.618 0.142 25300
481 1 8 . 1 1 13 13 LEU H H 13 8.321 8.321 8.381 -0.060 25300
482 1 8 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.475 -0.235 25300
483 1 8 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.471 -0.361 25300
484 1 8 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.378 -0.189 25300
485 1 8 . 1 1 15 15 ALA H H 15 7.554 7.554 8.385 -0.831 25300
486 1 8 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.174 0.061 25300
487 1 8 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.966 -2.016 25300
488 1 8 . 1 1 16 16 LEU H H 16 8.166 8.166 7.504 0.662 25300
489 1 8 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.794 -0.066 25300
490 1 8 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.090 -0.631 25300
491 1 8 . 1 1 17 17 ILE H H 17 8.611 8.611 7.551 1.060 25300
492 1 8 . 1 1 18 18 SER HA H 18 4.123 4.123 4.262 -0.139 25300
493 1 8 . 1 1 18 18 SER CA C 18 54.950 54.950 61.322 -6.372 25300
494 1 8 . 1 1 18 18 SER CB C 18 55.830 55.830 62.873 -7.043 25300
495 1 8 . 1 1 18 18 SER H H 18 8.395 8.395 8.089 0.306 25300
496 1 8 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.420 -0.272 25300
497 1 8 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.317 -2.497 25300
498 1 8 . 1 1 19 19 TRP H H 19 8.436 8.436 7.695 0.741 25300
499 1 8 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.915 -0.375 25300
500 1 8 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.392 -1.092 25300
501 1 8 . 1 1 20 20 ILE H H 20 8.564 8.564 8.071 0.493 25300
502 1 8 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.097 -0.207 25300
503 1 8 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.517 -1.617 25300
504 1 8 . 1 1 21 21 LYS H H 21 8.594 8.594 7.943 0.651 25300
505 1 8 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.134 -0.043 25300
506 1 8 . 1 1 22 22 ARG H H 22 8.260 8.260 7.882 0.378 25300
507 1 8 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.196 -0.046 25300
508 1 8 . 1 1 23 23 LYS H H 23 8.325 8.325 7.729 0.596 25300
509 1 8 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.315 -0.221 25300
510 1 8 . 1 1 24 24 ARG H H 24 8.222 8.222 7.714 0.508 25300
511 1 8 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.260 -0.140 25300
512 1 8 . 1 1 25 25 GLN H H 25 7.986 7.986 7.883 0.103 25300
513 1 9 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.011 0.031 25300
514 1 9 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.729 -3.299 25300
515 1 9 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.075 -1.935 25300
516 1 9 . 1 1 2 2 ILE H H 2 9.067 9.067 8.546 0.521 25300
517 1 9 . 1 1 3 3 GLY H H 3 8.961 8.961 8.432 0.529 25300
518 1 9 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.297 -0.217 25300
519 1 9 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.464 -1.814 25300
520 1 9 . 1 1 4 4 ALA H H 4 7.928 7.928 7.951 -0.023 25300
521 1 9 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.773 -0.194 25300
522 1 9 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.356 -1.446 25300
523 1 9 . 1 1 5 5 VAL H H 5 7.493 7.493 7.899 -0.406 25300
524 1 9 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.329 -0.239 25300
525 1 9 . 1 1 6 6 LEU H H 6 8.260 8.260 7.720 0.540 25300
526 1 9 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.139 -0.049 25300
527 1 9 . 1 1 7 7 LYS H H 7 8.260 8.260 7.721 0.539 25300
528 1 9 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.095 -0.396 25300
529 1 9 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.984 0.416 25300
530 1 9 . 1 1 8 8 VAL H H 8 8.153 8.153 7.663 0.490 25300
531 1 9 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.398 -0.241 25300
532 1 9 . 1 1 9 9 LEU H H 9 8.324 8.324 7.311 1.013 25300
533 1 9 . 1 1 10 10 THR HA H 10 4.150 4.150 4.476 -0.326 25300
534 1 9 . 1 1 10 10 THR CA C 10 62.650 62.650 62.850 -0.200 25300
535 1 9 . 1 1 10 10 THR CB C 10 66.900 66.900 67.421 -0.521 25300
536 1 9 . 1 1 10 10 THR H H 10 8.132 8.132 7.509 0.623 25300
537 1 9 . 1 1 11 11 THR HA H 11 4.313 4.313 4.453 -0.140 25300
538 1 9 . 1 1 11 11 THR CA C 11 61.730 61.730 62.819 -1.089 25300
539 1 9 . 1 1 11 11 THR CB C 11 67.410 67.410 70.939 -3.529 25300
540 1 9 . 1 1 11 11 THR H H 11 7.869 7.869 7.639 0.230 25300
541 1 9 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.120 -1.880 25300
542 1 9 . 1 1 12 12 GLY H H 12 8.188 8.188 7.929 0.259 25300
543 1 9 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.800 -0.412 25300
544 1 9 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.208 0.552 25300
545 1 9 . 1 1 13 13 LEU H H 13 8.321 8.321 8.545 -0.224 25300
546 1 9 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.410 -0.170 25300
547 1 9 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.860 -0.750 25300
548 1 9 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.387 -0.198 25300
549 1 9 . 1 1 15 15 ALA H H 15 7.554 7.554 8.395 -0.841 25300
550 1 9 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.127 0.108 25300
551 1 9 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.563 -1.613 25300
552 1 9 . 1 1 16 16 LEU H H 16 8.166 8.166 7.503 0.663 25300
553 1 9 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.827 -0.099 25300
554 1 9 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.412 -0.952 25300
555 1 9 . 1 1 17 17 ILE H H 17 8.611 8.611 7.548 1.063 25300
556 1 9 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300
557 1 9 . 1 1 18 18 SER CA C 18 54.950 54.950 61.481 -6.531 25300
558 1 9 . 1 1 18 18 SER CB C 18 55.830 55.830 62.791 -6.961 25300
559 1 9 . 1 1 18 18 SER H H 18 8.395 8.395 8.078 0.317 25300
560 1 9 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.462 -0.314 25300
561 1 9 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.500 -2.680 25300
562 1 9 . 1 1 19 19 TRP H H 19 8.436 8.436 7.746 0.690 25300
563 1 9 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.893 -0.353 25300
564 1 9 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.443 -1.143 25300
565 1 9 . 1 1 20 20 ILE H H 20 8.564 8.564 8.088 0.476 25300
566 1 9 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.096 -0.206 25300
567 1 9 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.510 -1.610 25300
568 1 9 . 1 1 21 21 LYS H H 21 8.594 8.594 7.943 0.651 25300
569 1 9 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.149 -0.058 25300
570 1 9 . 1 1 22 22 ARG H H 22 8.260 8.260 7.870 0.390 25300
571 1 9 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.185 -0.035 25300
572 1 9 . 1 1 23 23 LYS H H 23 8.325 8.325 7.704 0.621 25300
573 1 9 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.300 -0.206 25300
574 1 9 . 1 1 24 24 ARG H H 24 8.222 8.222 7.731 0.491 25300
575 1 9 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300
576 1 9 . 1 1 25 25 GLN H H 25 7.986 7.986 7.883 0.103 25300
577 1 10 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.090 -0.048 25300
578 1 10 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.699 -3.269 25300
579 1 10 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.664 -1.524 25300
580 1 10 . 1 1 2 2 ILE H H 2 9.067 9.067 8.450 0.617 25300
581 1 10 . 1 1 3 3 GLY H H 3 8.961 8.961 8.448 0.513 25300
582 1 10 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.259 -0.179 25300
583 1 10 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.505 -1.855 25300
584 1 10 . 1 1 4 4 ALA H H 4 7.928 7.928 7.870 0.058 25300
585 1 10 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.613 -0.034 25300
586 1 10 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.866 -1.956 25300
587 1 10 . 1 1 5 5 VAL H H 5 7.493 7.493 7.884 -0.391 25300
588 1 10 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.070 0.020 25300
589 1 10 . 1 1 6 6 LEU H H 6 8.260 8.260 7.896 0.364 25300
590 1 10 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.096 -0.006 25300
591 1 10 . 1 1 7 7 LYS H H 7 8.260 8.260 7.612 0.648 25300
592 1 10 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.224 -0.525 25300
593 1 10 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.196 0.204 25300
594 1 10 . 1 1 8 8 VAL H H 8 8.153 8.153 7.785 0.368 25300
595 1 10 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.477 -0.320 25300
596 1 10 . 1 1 9 9 LEU H H 9 8.324 8.324 7.387 0.937 25300
597 1 10 . 1 1 10 10 THR HA H 10 4.150 4.150 4.280 -0.130 25300
598 1 10 . 1 1 10 10 THR CA C 10 62.650 62.650 63.935 -1.285 25300
599 1 10 . 1 1 10 10 THR CB C 10 66.900 66.900 69.190 -2.290 25300
600 1 10 . 1 1 10 10 THR H H 10 8.132 8.132 7.778 0.354 25300
601 1 10 . 1 1 11 11 THR HA H 11 4.313 4.313 4.475 -0.162 25300
602 1 10 . 1 1 11 11 THR CA C 11 61.730 61.730 62.031 -0.301 25300
603 1 10 . 1 1 11 11 THR CB C 11 67.410 67.410 69.623 -2.213 25300
604 1 10 . 1 1 11 11 THR H H 11 7.869 7.869 7.717 0.152 25300
605 1 10 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.746 -1.506 25300
606 1 10 . 1 1 12 12 GLY H H 12 8.188 8.188 7.758 0.430 25300
607 1 10 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.834 -0.446 25300
608 1 10 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.847 -0.088 25300
609 1 10 . 1 1 13 13 LEU H H 13 8.321 8.321 8.168 0.153 25300
610 1 10 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.581 -0.341 25300
611 1 10 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.468 -0.358 25300
612 1 10 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.344 -0.155 25300
613 1 10 . 1 1 15 15 ALA H H 15 7.554 7.554 8.314 -0.760 25300
614 1 10 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.114 0.121 25300
615 1 10 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.960 -2.010 25300
616 1 10 . 1 1 16 16 LEU H H 16 8.166 8.166 7.760 0.406 25300
617 1 10 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.820 -0.092 25300
618 1 10 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.399 -0.939 25300
619 1 10 . 1 1 17 17 ILE H H 17 8.611 8.611 7.509 1.102 25300
620 1 10 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300
621 1 10 . 1 1 18 18 SER CA C 18 54.950 54.950 61.547 -6.597 25300
622 1 10 . 1 1 18 18 SER CB C 18 55.830 55.830 62.727 -6.897 25300
623 1 10 . 1 1 18 18 SER H H 18 8.395 8.395 8.151 0.244 25300
624 1 10 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.475 -0.327 25300
625 1 10 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.469 -2.649 25300
626 1 10 . 1 1 19 19 TRP H H 19 8.436 8.436 7.961 0.475 25300
627 1 10 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.879 -0.339 25300
628 1 10 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.546 -1.246 25300
629 1 10 . 1 1 20 20 ILE H H 20 8.564 8.564 8.062 0.502 25300
630 1 10 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.082 -0.192 25300
631 1 10 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.591 -1.691 25300
632 1 10 . 1 1 21 21 LYS H H 21 8.594 8.594 7.966 0.628 25300
633 1 10 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.135 -0.044 25300
634 1 10 . 1 1 22 22 ARG H H 22 8.260 8.260 7.886 0.374 25300
635 1 10 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.182 -0.032 25300
636 1 10 . 1 1 23 23 LYS H H 23 8.325 8.325 7.824 0.501 25300
637 1 10 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.293 -0.199 25300
638 1 10 . 1 1 24 24 ARG H H 24 8.222 8.222 7.747 0.475 25300
639 1 10 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.257 -0.137 25300
640 1 10 . 1 1 25 25 GLN H H 25 7.986 7.986 7.873 0.113 25300
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 25300
2 1 1 "Average Difference" HA 26 0.225 0.168 0.153 25300
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25300
4 1 1 "Average Difference" CA 15 2.346 1.525 1.845 25300
5 1 1 "Average Difference" CB 4 4.076 3.554 2.305 25300
6 1 1 "Average Difference" HN 23 0.571 -0.379 0.436 25300
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25300
8 1 2 "Average Difference" HA 26 0.201 0.146 0.141 25300
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25300
10 1 2 "Average Difference" CA 15 2.416 1.731 1.744 25300
11 1 2 "Average Difference" CB 4 4.042 3.495 2.344 25300
12 1 2 "Average Difference" HN 23 0.542 -0.380 0.396 25300
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25300
14 1 3 "Average Difference" HA 26 0.216 0.167 0.140 25300
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25300
16 1 3 "Average Difference" CA 15 2.399 1.687 1.765 25300
17 1 3 "Average Difference" CB 4 4.053 3.178 2.904 25300
18 1 3 "Average Difference" HN 23 0.538 -0.350 0.418 25300
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25300
20 1 4 "Average Difference" HA 26 0.205 0.146 0.147 25300
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25300
22 1 4 "Average Difference" CA 15 2.403 1.503 1.940 25300
23 1 4 "Average Difference" CB 4 4.064 3.429 2.519 25300
24 1 4 "Average Difference" HN 23 0.568 -0.372 0.439 25300
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25300
26 1 5 "Average Difference" HA 26 0.202 0.136 0.152 25300
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25300
28 1 5 "Average Difference" CA 15 2.358 1.770 1.613 25300
29 1 5 "Average Difference" CB 4 3.880 3.253 2.441 25300
30 1 5 "Average Difference" HN 23 0.498 -0.336 0.376 25300
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25300
32 1 6 "Average Difference" HA 26 0.215 0.145 0.162 25300
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25300
34 1 6 "Average Difference" CA 15 2.345 1.716 1.655 25300
35 1 6 "Average Difference" CB 4 3.877 3.233 2.470 25300
36 1 6 "Average Difference" HN 23 0.519 -0.360 0.383 25300
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25300
38 1 7 "Average Difference" HA 26 0.214 0.142 0.164 25300
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25300
40 1 7 "Average Difference" CA 15 2.347 1.740 1.630 25300
41 1 7 "Average Difference" CB 4 3.865 3.215 2.477 25300
42 1 7 "Average Difference" HN 23 0.519 -0.349 0.392 25300
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25300
44 1 8 "Average Difference" HA 26 0.198 0.150 0.132 25300
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25300
46 1 8 "Average Difference" CA 15 2.263 1.485 1.768 25300
47 1 8 "Average Difference" CB 4 3.973 3.146 2.801 25300
48 1 8 "Average Difference" HN 23 0.553 -0.381 0.410 25300
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25300
50 1 9 "Average Difference" HA 26 0.221 0.171 0.144 25300
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25300
52 1 9 "Average Difference" CA 15 2.300 1.603 1.707 25300
53 1 9 "Average Difference" CB 4 4.029 3.236 2.771 25300
54 1 9 "Average Difference" HN 23 0.568 -0.379 0.432 25300
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25300
56 1 10 "Average Difference" HA 26 0.220 0.150 0.164 25300
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25300
58 1 10 "Average Difference" CA 15 2.338 1.703 1.659 25300
59 1 10 "Average Difference" CB 4 3.874 3.231 2.468 25300
60 1 10 "Average Difference" HN 23 0.521 -0.359 0.386 25300
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 25300
_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 4.042 4.042 3.996 0.046 25300
2 1 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.599 -3.169 25300
3 1 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.934 -1.794 25300
4 1 . 1 1 2 2 ILE H H 2 9.067 9.067 8.465 0.602 25300
5 1 . 1 1 3 3 GLY H H 3 8.961 8.961 8.418 0.543 25300
6 1 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.263 -0.183 25300
7 1 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.496 -1.846 25300
8 1 . 1 1 4 4 ALA H H 4 7.928 7.928 7.832 0.096 25300
9 1 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.673 -0.093 25300
10 1 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.629 -1.719 25300
11 1 . 1 1 5 5 VAL H H 5 7.493 7.493 7.885 -0.392 25300
12 1 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.155 -0.066 25300
13 1 . 1 1 6 6 LEU H H 6 8.260 8.260 7.847 0.413 25300
14 1 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.134 -0.044 25300
15 1 . 1 1 7 7 LYS H H 7 8.260 8.260 7.739 0.521 25300
16 1 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.089 -0.390 25300
17 1 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.904 0.496 25300
18 1 . 1 1 8 8 VAL H H 8 8.153 8.153 7.651 0.502 25300
19 1 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.444 -0.287 25300
20 1 . 1 1 9 9 LEU H H 9 8.324 8.324 7.403 0.921 25300
21 1 . 1 1 10 10 THR HA H 10 4.150 4.150 4.344 -0.194 25300
22 1 . 1 1 10 10 THR CA C 10 62.650 62.650 63.574 -0.924 25300
23 1 . 1 1 10 10 THR CB C 10 66.900 66.900 68.659 -1.759 25300
24 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.740 0.392 25300
25 1 . 1 1 11 11 THR HA H 11 4.313 4.313 4.464 -0.151 25300
26 1 . 1 1 11 11 THR CA C 11 61.730 61.730 62.264 -0.533 25300
27 1 . 1 1 11 11 THR CB C 11 67.410 67.410 70.060 -2.649 25300
28 1 . 1 1 11 11 THR H H 11 7.869 7.869 7.694 0.175 25300
29 1 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.845 -1.605 25300
30 1 . 1 1 12 12 GLY H H 12 8.188 8.188 7.897 0.291 25300
31 1 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.802 -0.414 25300
32 1 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.642 0.118 25300
33 1 . 1 1 13 13 LEU H H 13 8.321 8.321 8.252 0.069 25300
34 1 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.507 -0.267 25300
35 1 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.648 -0.538 25300
36 1 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.368 -0.179 25300
37 1 . 1 1 15 15 ALA H H 15 7.554 7.554 8.378 -0.824 25300
38 1 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.144 0.091 25300
39 1 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.808 -1.858 25300
40 1 . 1 1 16 16 LEU H H 16 8.166 8.166 7.638 0.528 25300
41 1 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.818 -0.090 25300
42 1 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.359 -0.899 25300
43 1 . 1 1 17 17 ILE H H 17 8.611 8.611 7.553 1.058 25300
44 1 . 1 1 18 18 SER HA H 18 4.123 4.123 4.307 -0.184 25300
45 1 . 1 1 18 18 SER CA C 18 54.950 54.950 61.729 -6.779 25300
46 1 . 1 1 18 18 SER CB C 18 55.830 55.830 62.817 -6.987 25300
47 1 . 1 1 18 18 SER H H 18 8.395 8.395 8.106 0.290 25300
48 1 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.458 -0.310 25300
49 1 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.401 -2.581 25300
50 1 . 1 1 19 19 TRP H H 19 8.436 8.436 7.855 0.581 25300
51 1 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.889 -0.349 25300
52 1 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.510 -1.210 25300
53 1 . 1 1 20 20 ILE H H 20 8.564 8.564 8.075 0.489 25300
54 1 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.093 -0.203 25300
55 1 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.548 -1.648 25300
56 1 . 1 1 21 21 LYS H H 21 8.594 8.594 7.944 0.650 25300
57 1 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.141 -0.051 25300
58 1 . 1 1 22 22 ARG H H 22 8.260 8.260 7.882 0.378 25300
59 1 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.192 -0.042 25300
60 1 . 1 1 23 23 LYS H H 23 8.325 8.325 7.767 0.558 25300
61 1 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.294 -0.200 25300
62 1 . 1 1 24 24 ARG H H 24 8.222 8.222 7.785 0.437 25300
63 1 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.258 -0.138 25300
64 1 . 1 1 25 25 GLN H H 25 7.986 7.986 7.880 0.106 25300
stop_
save_