data_25754
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25754
_Entry.PDB_ID 2N68
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 25754
_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 LEU HA H 2 4.819 4.819 4.549 0.270 25754
2 1 1 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.092 -3.731 25754
3 1 1 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.812 -3.287 25754
4 1 1 . 1 1 2 2 LEU H H 2 8.432 8.432 8.383 0.049 25754
5 1 1 . 1 1 3 3 SER HA H 3 4.747 4.747 4.663 0.084 25754
6 1 1 . 1 1 3 3 SER CA C 3 57.051 57.051 57.373 -0.322 25754
7 1 1 . 1 1 3 3 SER CB C 3 62.680 62.680 66.174 -3.494 25754
8 1 1 . 1 1 3 3 SER H H 3 8.665 8.665 7.597 1.068 25754
9 1 1 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.376 0.107 25754
10 1 1 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.391 -4.215 25754
11 1 1 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.306 -2.865 25754
12 1 1 . 1 1 4 4 GLN H H 4 8.242 8.242 8.688 -0.446 25754
13 1 1 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.895 -1.753 25754
14 1 1 . 1 1 5 5 GLY H H 5 7.057 7.057 7.374 -0.317 25754
15 1 1 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.005 -0.028 25754
16 1 1 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.724 -4.672 25754
17 1 1 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.541 -0.698 25754
18 1 1 . 1 1 6 6 VAL H H 6 8.325 8.325 8.299 0.026 25754
19 1 1 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.905 0.126 25754
20 1 1 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.624 -2.607 25754
21 1 1 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.696 -4.301 25754
22 1 1 . 1 1 7 7 GLU H H 7 8.970 8.970 8.319 0.651 25754
23 1 1 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.140 -0.483 25754
24 1 1 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.813 -1.386 25754
25 1 1 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.343 -2.356 25754
26 1 1 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.639 -0.149 25754
27 1 1 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.542 -9.764 25754
28 1 1 . 1 1 9 9 ASP H H 9 7.742 7.742 8.667 -0.925 25754
29 1 1 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.564 -0.584 25754
30 1 1 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.564 -2.870 25754
31 1 1 . 1 1 10 10 ILE CB C 10 37.376 37.376 41.903 -4.527 25754
32 1 1 . 1 1 10 10 ILE H H 10 6.912 6.912 7.721 -0.809 25754
33 1 1 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.396 -2.022 25754
34 1 1 . 1 1 11 11 GLY H H 11 8.381 8.381 8.685 -0.304 25754
35 1 1 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.428 -0.123 25754
36 1 1 . 1 1 12 12 GLN CA C 12 52.464 52.464 55.220 -2.756 25754
37 1 1 . 1 1 12 12 GLN CB C 12 26.459 26.459 30.839 -4.380 25754
38 1 1 . 1 1 12 12 GLN H H 12 8.824 8.824 8.520 0.304 25754
39 1 1 . 1 1 13 13 THR HA H 13 4.473 4.473 4.877 -0.404 25754
40 1 1 . 1 1 13 13 THR CA C 13 58.097 58.097 59.719 -1.622 25754
41 1 1 . 1 1 13 13 THR CB C 13 67.244 67.244 72.163 -4.919 25754
42 1 1 . 1 1 13 13 THR H H 13 8.353 8.353 7.447 0.906 25754
43 1 1 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.177 -0.540 25754
44 1 1 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.436 -9.599 25754
45 1 1 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.033 -2.187 25754
46 1 1 . 1 1 14 14 TYR H H 14 8.730 8.730 8.974 -0.244 25754
47 1 1 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.812 -0.286 25754
48 1 1 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.707 0.348 25754
49 1 1 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.224 -6.093 25754
50 1 1 . 1 1 15 15 PHE H H 15 8.338 8.338 7.867 0.471 25754
51 1 1 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.327 -0.068 25754
52 1 1 . 1 1 16 16 GLU CA C 16 53.525 53.525 54.944 -1.419 25754
53 1 1 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.221 -2.499 25754
54 1 1 . 1 1 16 16 GLU H H 16 8.965 8.965 8.755 0.210 25754
55 1 1 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.257 0.065 25754
56 1 1 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.591 -3.398 25754
57 1 1 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.227 -3.762 25754
58 1 1 . 1 1 17 17 GLU H H 17 8.830 8.830 7.874 0.956 25754
59 1 1 . 1 1 18 18 SER HA H 18 4.326 4.326 4.374 -0.048 25754
60 1 1 . 1 1 18 18 SER CA C 18 55.566 55.566 59.068 -3.502 25754
61 1 1 . 1 1 18 18 SER CB C 18 61.011 61.011 61.668 -0.657 25754
62 1 1 . 1 1 18 18 SER H H 18 8.367 8.367 8.968 -0.601 25754
63 1 1 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.152 0.101 25754
64 1 1 . 1 1 19 19 ARG CA C 19 59.143 59.143 56.236 2.907 25754
65 1 1 . 1 1 19 19 ARG CB C 19 28.021 28.021 28.313 -0.292 25754
66 1 1 . 1 1 19 19 ARG H H 19 8.301 8.301 8.482 -0.181 25754
67 1 1 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.889 0.128 25754
68 1 1 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.634 -4.177 25754
69 1 1 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.183 -2.235 25754
70 1 1 . 1 1 20 20 ILE H H 20 8.014 8.014 7.884 0.130 25754
71 1 1 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.970 -0.413 25754
72 1 1 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.654 -2.107 25754
73 1 1 . 1 1 21 21 ASN CB C 21 35.964 35.964 41.196 -5.232 25754
74 1 1 . 1 1 21 21 ASN H H 21 8.383 8.383 8.619 -0.236 25754
75 1 1 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.532 -0.311 25754
76 1 1 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.289 -3.259 25754
77 1 1 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.808 -3.000 25754
78 1 1 . 1 1 22 22 GLN H H 22 8.219 8.219 8.828 -0.609 25754
79 1 2 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.591 0.228 25754
80 1 2 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.226 -3.865 25754
81 1 2 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.986 -3.462 25754
82 1 2 . 1 1 2 2 LEU H H 2 8.432 8.432 8.336 0.096 25754
83 1 2 . 1 1 3 3 SER HA H 3 4.747 4.747 4.681 0.066 25754
84 1 2 . 1 1 3 3 SER CA C 3 57.051 57.051 57.222 -0.171 25754
85 1 2 . 1 1 3 3 SER CB C 3 62.680 62.680 65.458 -2.778 25754
86 1 2 . 1 1 3 3 SER H H 3 8.665 8.665 7.544 1.121 25754
87 1 2 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.261 0.222 25754
88 1 2 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.559 -4.384 25754
89 1 2 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.714 -3.273 25754
90 1 2 . 1 1 4 4 GLN H H 4 8.242 8.242 8.778 -0.536 25754
91 1 2 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.880 -1.738 25754
92 1 2 . 1 1 5 5 GLY H H 5 7.057 7.057 7.749 -0.692 25754
93 1 2 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.378 -0.401 25754
94 1 2 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.279 -4.227 25754
95 1 2 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.483 -0.640 25754
96 1 2 . 1 1 6 6 VAL H H 6 8.325 8.325 8.194 0.131 25754
97 1 2 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.919 0.112 25754
98 1 2 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.434 -2.417 25754
99 1 2 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.613 -3.218 25754
100 1 2 . 1 1 7 7 GLU H H 7 8.970 8.970 8.277 0.693 25754
101 1 2 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.027 -0.370 25754
102 1 2 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.678 -1.251 25754
103 1 2 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.178 -2.191 25754
104 1 2 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.780 -0.290 25754
105 1 2 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.165 -10.387 25754
106 1 2 . 1 1 9 9 ASP H H 9 7.742 7.742 8.704 -0.962 25754
107 1 2 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.185 -0.205 25754
108 1 2 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.469 -3.775 25754
109 1 2 . 1 1 10 10 ILE CB C 10 37.376 37.376 36.876 0.500 25754
110 1 2 . 1 1 10 10 ILE H H 10 6.912 6.912 7.871 -0.959 25754
111 1 2 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.150 -2.776 25754
112 1 2 . 1 1 11 11 GLY H H 11 8.381 8.381 8.647 -0.266 25754
113 1 2 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.288 0.017 25754
114 1 2 . 1 1 12 12 GLN CA C 12 52.464 52.464 56.171 -3.707 25754
115 1 2 . 1 1 12 12 GLN CB C 12 26.459 26.459 28.783 -2.324 25754
116 1 2 . 1 1 12 12 GLN H H 12 8.824 8.824 8.417 0.407 25754
117 1 2 . 1 1 13 13 THR HA H 13 4.473 4.473 4.893 -0.420 25754
118 1 2 . 1 1 13 13 THR CA C 13 58.097 58.097 59.941 -1.844 25754
119 1 2 . 1 1 13 13 THR CB C 13 67.244 67.244 71.641 -4.397 25754
120 1 2 . 1 1 13 13 THR H H 13 8.353 8.353 7.648 0.705 25754
121 1 2 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.227 -0.590 25754
122 1 2 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.341 -9.504 25754
123 1 2 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.725 -2.879 25754
124 1 2 . 1 1 14 14 TYR H H 14 8.730 8.730 9.326 -0.596 25754
125 1 2 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.740 -0.214 25754
126 1 2 . 1 1 15 15 PHE CA C 15 57.055 57.055 57.280 -0.225 25754
127 1 2 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.285 -6.154 25754
128 1 2 . 1 1 15 15 PHE H H 15 8.338 8.338 7.739 0.599 25754
129 1 2 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.320 -0.061 25754
130 1 2 . 1 1 16 16 GLU CA C 16 53.525 53.525 55.196 -1.671 25754
131 1 2 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.546 -2.824 25754
132 1 2 . 1 1 16 16 GLU H H 16 8.965 8.965 8.716 0.249 25754
133 1 2 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.465 -0.143 25754
134 1 2 . 1 1 17 17 GLU CA C 17 53.193 53.193 55.392 -2.200 25754
135 1 2 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.727 -4.262 25754
136 1 2 . 1 1 17 17 GLU H H 17 8.830 8.830 8.168 0.662 25754
137 1 2 . 1 1 18 18 SER HA H 18 4.326 4.326 4.263 0.063 25754
138 1 2 . 1 1 18 18 SER CA C 18 55.566 55.566 58.945 -3.379 25754
139 1 2 . 1 1 18 18 SER CB C 18 61.011 61.011 63.724 -2.713 25754
140 1 2 . 1 1 18 18 SER H H 18 8.367 8.367 8.591 -0.224 25754
141 1 2 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.338 -0.085 25754
142 1 2 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.481 3.662 25754
143 1 2 . 1 1 19 19 ARG CB C 19 28.021 28.021 28.480 -0.459 25754
144 1 2 . 1 1 19 19 ARG H H 19 8.301 8.301 8.734 -0.433 25754
145 1 2 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.938 0.079 25754
146 1 2 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.477 -4.020 25754
147 1 2 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.704 -1.756 25754
148 1 2 . 1 1 20 20 ILE H H 20 8.014 8.014 7.909 0.105 25754
149 1 2 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.911 -0.354 25754
150 1 2 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.484 -1.937 25754
151 1 2 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.324 -4.360 25754
152 1 2 . 1 1 21 21 ASN H H 21 8.383 8.383 8.124 0.259 25754
153 1 2 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.482 -0.262 25754
154 1 2 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.128 -3.098 25754
155 1 2 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.423 -2.615 25754
156 1 2 . 1 1 22 22 GLN H H 22 8.219 8.219 8.787 -0.568 25754
157 1 3 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.596 0.223 25754
158 1 3 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.407 -4.046 25754
159 1 3 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.962 -3.437 25754
160 1 3 . 1 1 2 2 LEU H H 2 8.432 8.432 8.458 -0.026 25754
161 1 3 . 1 1 3 3 SER HA H 3 4.747 4.747 4.808 -0.061 25754
162 1 3 . 1 1 3 3 SER CA C 3 57.051 57.051 57.285 -0.234 25754
163 1 3 . 1 1 3 3 SER CB C 3 62.680 62.680 65.429 -2.749 25754
164 1 3 . 1 1 3 3 SER H H 3 8.665 8.665 7.518 1.147 25754
165 1 3 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.232 0.251 25754
166 1 3 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.162 -3.987 25754
167 1 3 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.230 -2.789 25754
168 1 3 . 1 1 4 4 GLN H H 4 8.242 8.242 8.519 -0.277 25754
169 1 3 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.750 -1.608 25754
170 1 3 . 1 1 5 5 GLY H H 5 7.057 7.057 7.591 -0.534 25754
171 1 3 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.518 -0.541 25754
172 1 3 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.443 -3.391 25754
173 1 3 . 1 1 6 6 VAL CB C 6 31.843 31.843 34.681 -2.838 25754
174 1 3 . 1 1 6 6 VAL H H 6 8.325 8.325 8.476 -0.151 25754
175 1 3 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.974 0.057 25754
176 1 3 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.854 -2.837 25754
177 1 3 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.725 -4.330 25754
178 1 3 . 1 1 7 7 GLU H H 7 8.970 8.970 8.602 0.368 25754
179 1 3 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.868 -0.211 25754
180 1 3 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.893 -1.466 25754
181 1 3 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.066 -2.079 25754
182 1 3 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.680 -0.190 25754
183 1 3 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.881 -10.103 25754
184 1 3 . 1 1 9 9 ASP H H 9 7.742 7.742 8.475 -0.733 25754
185 1 3 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.207 -0.227 25754
186 1 3 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.367 -3.673 25754
187 1 3 . 1 1 10 10 ILE CB C 10 37.376 37.376 37.567 -0.191 25754
188 1 3 . 1 1 10 10 ILE H H 10 6.912 6.912 7.802 -0.890 25754
189 1 3 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.406 -2.032 25754
190 1 3 . 1 1 11 11 GLY H H 11 8.381 8.381 8.352 0.029 25754
191 1 3 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.248 0.057 25754
192 1 3 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.114 -4.650 25754
193 1 3 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.179 -2.720 25754
194 1 3 . 1 1 12 12 GLN H H 12 8.824 8.824 8.353 0.471 25754
195 1 3 . 1 1 13 13 THR HA H 13 4.473 4.473 4.691 -0.218 25754
196 1 3 . 1 1 13 13 THR CA C 13 58.097 58.097 60.037 -1.940 25754
197 1 3 . 1 1 13 13 THR CB C 13 67.244 67.244 71.844 -4.600 25754
198 1 3 . 1 1 13 13 THR H H 13 8.353 8.353 7.244 1.109 25754
199 1 3 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.005 -0.368 25754
200 1 3 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.680 -9.843 25754
201 1 3 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.358 -2.512 25754
202 1 3 . 1 1 14 14 TYR H H 14 8.730 8.730 9.004 -0.274 25754
203 1 3 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.812 -0.286 25754
204 1 3 . 1 1 15 15 PHE CA C 15 57.055 57.055 57.235 -0.180 25754
205 1 3 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.402 -6.271 25754
206 1 3 . 1 1 15 15 PHE H H 15 8.338 8.338 7.942 0.396 25754
207 1 3 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.325 -0.066 25754
208 1 3 . 1 1 16 16 GLU CA C 16 53.525 53.525 55.697 -2.171 25754
209 1 3 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.499 -2.777 25754
210 1 3 . 1 1 16 16 GLU H H 16 8.965 8.965 8.745 0.220 25754
211 1 3 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.251 0.071 25754
212 1 3 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.760 -4.567 25754
213 1 3 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.882 -3.417 25754
214 1 3 . 1 1 17 17 GLU H H 17 8.830 8.830 7.998 0.832 25754
215 1 3 . 1 1 18 18 SER HA H 18 4.326 4.326 4.199 0.127 25754
216 1 3 . 1 1 18 18 SER CA C 18 55.566 55.566 58.660 -3.094 25754
217 1 3 . 1 1 18 18 SER CB C 18 61.011 61.011 63.042 -2.031 25754
218 1 3 . 1 1 18 18 SER H H 18 8.367 8.367 8.398 -0.031 25754
219 1 3 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.487 -0.234 25754
220 1 3 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.511 3.632 25754
221 1 3 . 1 1 19 19 ARG CB C 19 28.021 28.021 29.842 -1.821 25754
222 1 3 . 1 1 19 19 ARG H H 19 8.301 8.301 8.058 0.243 25754
223 1 3 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.299 -0.282 25754
224 1 3 . 1 1 20 20 ILE CA C 20 58.457 58.457 60.047 -1.590 25754
225 1 3 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.215 -2.267 25754
226 1 3 . 1 1 20 20 ILE H H 20 8.014 8.014 8.225 -0.211 25754
227 1 3 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.872 -0.315 25754
228 1 3 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.228 -1.681 25754
229 1 3 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.240 -4.276 25754
230 1 3 . 1 1 21 21 ASN H H 21 8.383 8.383 8.531 -0.148 25754
231 1 3 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.311 -0.091 25754
232 1 3 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.839 -2.809 25754
233 1 3 . 1 1 22 22 GLN CB C 22 26.808 26.808 28.595 -1.786 25754
234 1 3 . 1 1 22 22 GLN H H 22 8.219 8.219 8.479 -0.260 25754
235 1 4 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.819 0.000 25754
236 1 4 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.110 -3.749 25754
237 1 4 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.227 -2.702 25754
238 1 4 . 1 1 2 2 LEU H H 2 8.432 8.432 8.329 0.103 25754
239 1 4 . 1 1 3 3 SER HA H 3 4.747 4.747 4.690 0.057 25754
240 1 4 . 1 1 3 3 SER CA C 3 57.051 57.051 56.999 0.051 25754
241 1 4 . 1 1 3 3 SER CB C 3 62.680 62.680 65.294 -2.614 25754
242 1 4 . 1 1 3 3 SER H H 3 8.665 8.665 7.563 1.102 25754
243 1 4 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.430 0.053 25754
244 1 4 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.265 -4.090 25754
245 1 4 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.395 -2.954 25754
246 1 4 . 1 1 4 4 GLN H H 4 8.242 8.242 8.713 -0.471 25754
247 1 4 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.948 -1.806 25754
248 1 4 . 1 1 5 5 GLY H H 5 7.057 7.057 7.114 -0.057 25754
249 1 4 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.197 -0.220 25754
250 1 4 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.881 -3.829 25754
251 1 4 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.031 -1.188 25754
252 1 4 . 1 1 6 6 VAL H H 6 8.325 8.325 8.155 0.170 25754
253 1 4 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.908 0.123 25754
254 1 4 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.656 -2.639 25754
255 1 4 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.402 -4.007 25754
256 1 4 . 1 1 7 7 GLU H H 7 8.970 8.970 8.441 0.529 25754
257 1 4 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.872 -0.215 25754
258 1 4 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.851 -1.424 25754
259 1 4 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.420 -2.433 25754
260 1 4 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.676 -0.186 25754
261 1 4 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.209 -10.431 25754
262 1 4 . 1 1 9 9 ASP H H 9 7.742 7.742 8.645 -0.903 25754
263 1 4 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.327 -0.347 25754
264 1 4 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.690 -2.996 25754
265 1 4 . 1 1 10 10 ILE CB C 10 37.376 37.376 39.085 -1.709 25754
266 1 4 . 1 1 10 10 ILE H H 10 6.912 6.912 7.754 -0.842 25754
267 1 4 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.846 -2.472 25754
268 1 4 . 1 1 11 11 GLY H H 11 8.381 8.381 8.621 -0.240 25754
269 1 4 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.533 -0.228 25754
270 1 4 . 1 1 12 12 GLN CA C 12 52.464 52.464 54.980 -2.516 25754
271 1 4 . 1 1 12 12 GLN CB C 12 26.459 26.459 30.334 -3.875 25754
272 1 4 . 1 1 12 12 GLN H H 12 8.824 8.824 8.417 0.407 25754
273 1 4 . 1 1 13 13 THR HA H 13 4.473 4.473 4.980 -0.507 25754
274 1 4 . 1 1 13 13 THR CA C 13 58.097 58.097 60.014 -1.917 25754
275 1 4 . 1 1 13 13 THR CB C 13 67.244 67.244 71.827 -4.583 25754
276 1 4 . 1 1 13 13 THR H H 13 8.353 8.353 7.982 0.371 25754
277 1 4 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.236 -0.599 25754
278 1 4 . 1 1 14 14 TYR CA C 14 48.837 48.837 57.925 -9.088 25754
279 1 4 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.352 -2.506 25754
280 1 4 . 1 1 14 14 TYR H H 14 8.730 8.730 9.053 -0.323 25754
281 1 4 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.772 -0.246 25754
282 1 4 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.622 0.433 25754
283 1 4 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.741 -6.610 25754
284 1 4 . 1 1 15 15 PHE H H 15 8.338 8.338 7.868 0.470 25754
285 1 4 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.163 0.096 25754
286 1 4 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.409 -3.884 25754
287 1 4 . 1 1 16 16 GLU CB C 16 25.722 25.722 29.517 -3.795 25754
288 1 4 . 1 1 16 16 GLU H H 16 8.965 8.965 8.763 0.202 25754
289 1 4 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.632 -0.310 25754
290 1 4 . 1 1 17 17 GLU CA C 17 53.193 53.193 55.434 -2.241 25754
291 1 4 . 1 1 17 17 GLU CB C 17 26.465 26.465 31.086 -4.621 25754
292 1 4 . 1 1 17 17 GLU H H 17 8.830 8.830 8.121 0.709 25754
293 1 4 . 1 1 18 18 SER HA H 18 4.326 4.326 4.642 -0.316 25754
294 1 4 . 1 1 18 18 SER CA C 18 55.566 55.566 58.330 -2.764 25754
295 1 4 . 1 1 18 18 SER CB C 18 61.011 61.011 64.025 -3.014 25754
296 1 4 . 1 1 18 18 SER H H 18 8.367 8.367 8.875 -0.508 25754
297 1 4 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.304 -0.051 25754
298 1 4 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.964 3.179 25754
299 1 4 . 1 1 19 19 ARG CB C 19 28.021 28.021 28.525 -0.504 25754
300 1 4 . 1 1 19 19 ARG H H 19 8.301 8.301 8.355 -0.054 25754
301 1 4 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.031 -0.014 25754
302 1 4 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.489 -3.032 25754
303 1 4 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.471 -2.523 25754
304 1 4 . 1 1 20 20 ILE H H 20 8.014 8.014 7.612 0.402 25754
305 1 4 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.816 -0.259 25754
306 1 4 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.070 -2.523 25754
307 1 4 . 1 1 21 21 ASN CB C 21 35.964 35.964 37.765 -1.801 25754
308 1 4 . 1 1 21 21 ASN H H 21 8.383 8.383 8.725 -0.342 25754
309 1 4 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.274 -0.054 25754
310 1 4 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.662 -3.632 25754
311 1 4 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.310 -2.502 25754
312 1 4 . 1 1 22 22 GLN H H 22 8.219 8.219 8.845 -0.626 25754
313 1 5 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.617 0.202 25754
314 1 5 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.700 -4.340 25754
315 1 5 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.742 -3.217 25754
316 1 5 . 1 1 2 2 LEU H H 2 8.432 8.432 8.486 -0.054 25754
317 1 5 . 1 1 3 3 SER HA H 3 4.747 4.747 4.671 0.076 25754
318 1 5 . 1 1 3 3 SER CA C 3 57.051 57.051 57.050 0.001 25754
319 1 5 . 1 1 3 3 SER CB C 3 62.680 62.680 65.611 -2.931 25754
320 1 5 . 1 1 3 3 SER H H 3 8.665 8.665 7.552 1.113 25754
321 1 5 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.214 0.269 25754
322 1 5 . 1 1 4 4 GLN CA C 4 53.175 53.175 56.234 -3.059 25754
323 1 5 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.598 -3.157 25754
324 1 5 . 1 1 4 4 GLN H H 4 8.242 8.242 8.664 -0.422 25754
325 1 5 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.736 -1.594 25754
326 1 5 . 1 1 5 5 GLY H H 5 7.057 7.057 7.595 -0.538 25754
327 1 5 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.430 -0.453 25754
328 1 5 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.952 -3.900 25754
329 1 5 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.828 -0.985 25754
330 1 5 . 1 1 6 6 VAL H H 6 8.325 8.325 8.145 0.180 25754
331 1 5 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.886 0.145 25754
332 1 5 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.646 -2.629 25754
333 1 5 . 1 1 7 7 GLU CB C 7 26.395 26.395 31.068 -4.673 25754
334 1 5 . 1 1 7 7 GLU H H 7 8.970 8.970 8.283 0.687 25754
335 1 5 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.017 -0.360 25754
336 1 5 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.442 -1.015 25754
337 1 5 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.041 -1.054 25754
338 1 5 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.420 0.070 25754
339 1 5 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.221 -8.443 25754
340 1 5 . 1 1 9 9 ASP H H 9 7.742 7.742 8.078 -0.336 25754
341 1 5 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.162 -0.182 25754
342 1 5 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.714 -4.019 25754
343 1 5 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.608 -1.232 25754
344 1 5 . 1 1 10 10 ILE H H 10 6.912 6.912 8.033 -1.121 25754
345 1 5 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.046 -2.672 25754
346 1 5 . 1 1 11 11 GLY H H 11 8.381 8.381 8.576 -0.195 25754
347 1 5 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.228 0.077 25754
348 1 5 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.634 -5.170 25754
349 1 5 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.328 -2.869 25754
350 1 5 . 1 1 12 12 GLN H H 12 8.824 8.824 8.375 0.449 25754
351 1 5 . 1 1 13 13 THR HA H 13 4.473 4.473 4.754 -0.281 25754
352 1 5 . 1 1 13 13 THR CA C 13 58.097 58.097 60.210 -2.113 25754
353 1 5 . 1 1 13 13 THR CB C 13 67.244 67.244 71.607 -4.363 25754
354 1 5 . 1 1 13 13 THR H H 13 8.353 8.353 6.998 1.355 25754
355 1 5 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.116 -0.479 25754
356 1 5 . 1 1 14 14 TYR CA C 14 48.837 48.837 57.780 -8.943 25754
357 1 5 . 1 1 14 14 TYR CB C 14 38.846 38.846 40.294 -1.448 25754
358 1 5 . 1 1 14 14 TYR H H 14 8.730 8.730 9.221 -0.491 25754
359 1 5 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.797 -0.271 25754
360 1 5 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.520 0.535 25754
361 1 5 . 1 1 15 15 PHE CB C 15 37.131 37.131 42.946 -5.815 25754
362 1 5 . 1 1 15 15 PHE H H 15 8.338 8.338 8.090 0.248 25754
363 1 5 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.187 0.072 25754
364 1 5 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.317 -2.792 25754
365 1 5 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.497 -2.775 25754
366 1 5 . 1 1 16 16 GLU H H 16 8.965 8.965 8.919 0.046 25754
367 1 5 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.327 -0.005 25754
368 1 5 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.631 -3.438 25754
369 1 5 . 1 1 17 17 GLU CB C 17 26.465 26.465 28.988 -2.523 25754
370 1 5 . 1 1 17 17 GLU H H 17 8.830 8.830 8.064 0.766 25754
371 1 5 . 1 1 18 18 SER HA H 18 4.326 4.326 4.704 -0.378 25754
372 1 5 . 1 1 18 18 SER CA C 18 55.566 55.566 58.520 -2.954 25754
373 1 5 . 1 1 18 18 SER CB C 18 61.011 61.011 65.269 -4.258 25754
374 1 5 . 1 1 18 18 SER H H 18 8.367 8.367 7.964 0.403 25754
375 1 5 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.589 -0.336 25754
376 1 5 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.393 3.750 25754
377 1 5 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.439 -2.418 25754
378 1 5 . 1 1 19 19 ARG H H 19 8.301 8.301 8.800 -0.499 25754
379 1 5 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.856 0.161 25754
380 1 5 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.097 -3.640 25754
381 1 5 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.790 -1.842 25754
382 1 5 . 1 1 20 20 ILE H H 20 8.014 8.014 7.825 0.189 25754
383 1 5 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.922 -0.365 25754
384 1 5 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.465 -1.918 25754
385 1 5 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.064 -4.100 25754
386 1 5 . 1 1 21 21 ASN H H 21 8.383 8.383 8.130 0.253 25754
387 1 5 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.367 -0.147 25754
388 1 5 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.926 -2.896 25754
389 1 5 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.296 -2.488 25754
390 1 5 . 1 1 22 22 GLN H H 22 8.219 8.219 8.533 -0.314 25754
391 1 6 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.570 0.249 25754
392 1 6 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.293 -3.932 25754
393 1 6 . 1 1 2 2 LEU CB C 2 40.525 40.525 42.991 -2.466 25754
394 1 6 . 1 1 2 2 LEU H H 2 8.432 8.432 8.476 -0.044 25754
395 1 6 . 1 1 3 3 SER HA H 3 4.747 4.747 4.627 0.120 25754
396 1 6 . 1 1 3 3 SER CA C 3 57.051 57.051 57.066 -0.014 25754
397 1 6 . 1 1 3 3 SER CB C 3 62.680 62.680 66.537 -3.857 25754
398 1 6 . 1 1 3 3 SER H H 3 8.665 8.665 7.473 1.192 25754
399 1 6 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.450 0.033 25754
400 1 6 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.105 -3.930 25754
401 1 6 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.686 -3.245 25754
402 1 6 . 1 1 4 4 GLN H H 4 8.242 8.242 8.714 -0.472 25754
403 1 6 . 1 1 5 5 GLY CA C 5 43.142 43.142 45.243 -2.101 25754
404 1 6 . 1 1 5 5 GLY H H 5 7.057 7.057 7.539 -0.482 25754
405 1 6 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.226 -0.249 25754
406 1 6 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.949 -3.897 25754
407 1 6 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.889 -1.046 25754
408 1 6 . 1 1 6 6 VAL H H 6 8.325 8.325 8.566 -0.241 25754
409 1 6 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.885 0.146 25754
410 1 6 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.207 -2.190 25754
411 1 6 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.999 -3.604 25754
412 1 6 . 1 1 7 7 GLU H H 7 8.970 8.970 8.392 0.578 25754
413 1 6 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.793 -0.136 25754
414 1 6 . 1 1 8 8 PRO CA C 8 61.427 61.427 61.732 -0.305 25754
415 1 6 . 1 1 8 8 PRO CB C 8 29.987 29.987 30.676 -0.689 25754
416 1 6 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.332 0.158 25754
417 1 6 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.172 -8.394 25754
418 1 6 . 1 1 9 9 ASP H H 9 7.742 7.742 8.337 -0.595 25754
419 1 6 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.101 -0.121 25754
420 1 6 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.098 -3.404 25754
421 1 6 . 1 1 10 10 ILE CB C 10 37.376 37.376 37.679 -0.303 25754
422 1 6 . 1 1 10 10 ILE H H 10 6.912 6.912 7.759 -0.847 25754
423 1 6 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.472 -2.098 25754
424 1 6 . 1 1 11 11 GLY H H 11 8.381 8.381 8.352 0.029 25754
425 1 6 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.183 0.122 25754
426 1 6 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.687 -5.223 25754
427 1 6 . 1 1 12 12 GLN CB C 12 26.459 26.459 28.961 -2.502 25754
428 1 6 . 1 1 12 12 GLN H H 12 8.824 8.824 8.410 0.414 25754
429 1 6 . 1 1 13 13 THR HA H 13 4.473 4.473 4.758 -0.285 25754
430 1 6 . 1 1 13 13 THR CA C 13 58.097 58.097 60.414 -2.317 25754
431 1 6 . 1 1 13 13 THR CB C 13 67.244 67.244 71.808 -4.564 25754
432 1 6 . 1 1 13 13 THR H H 13 8.353 8.353 7.231 1.122 25754
433 1 6 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.079 -0.442 25754
434 1 6 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.964 -10.127 25754
435 1 6 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.270 -2.424 25754
436 1 6 . 1 1 14 14 TYR H H 14 8.730 8.730 9.182 -0.452 25754
437 1 6 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.719 -0.193 25754
438 1 6 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.971 0.083 25754
439 1 6 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.673 -6.542 25754
440 1 6 . 1 1 15 15 PHE H H 15 8.338 8.338 7.859 0.479 25754
441 1 6 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.331 -0.072 25754
442 1 6 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.582 -3.057 25754
443 1 6 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.254 -2.532 25754
444 1 6 . 1 1 16 16 GLU H H 16 8.965 8.965 8.695 0.270 25754
445 1 6 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.360 -0.038 25754
446 1 6 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.826 -3.633 25754
447 1 6 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.980 -3.515 25754
448 1 6 . 1 1 17 17 GLU H H 17 8.830 8.830 8.125 0.705 25754
449 1 6 . 1 1 18 18 SER HA H 18 4.326 4.326 4.222 0.104 25754
450 1 6 . 1 1 18 18 SER CA C 18 55.566 55.566 59.135 -3.569 25754
451 1 6 . 1 1 18 18 SER CB C 18 61.011 61.011 62.385 -1.374 25754
452 1 6 . 1 1 18 18 SER H H 18 8.367 8.367 8.472 -0.105 25754
453 1 6 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.482 -0.229 25754
454 1 6 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.730 3.413 25754
455 1 6 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.997 -2.977 25754
456 1 6 . 1 1 19 19 ARG H H 19 8.301 8.301 8.425 -0.124 25754
457 1 6 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.960 0.057 25754
458 1 6 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.901 -3.444 25754
459 1 6 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.603 -1.655 25754
460 1 6 . 1 1 20 20 ILE H H 20 8.014 8.014 7.964 0.050 25754
461 1 6 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.694 -0.137 25754
462 1 6 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.060 -2.513 25754
463 1 6 . 1 1 21 21 ASN CB C 21 35.964 35.964 37.884 -1.920 25754
464 1 6 . 1 1 21 21 ASN H H 21 8.383 8.383 8.779 -0.396 25754
465 1 6 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.069 0.151 25754
466 1 6 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.604 -3.574 25754
467 1 6 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.442 -2.634 25754
468 1 6 . 1 1 22 22 GLN H H 22 8.219 8.219 7.911 0.308 25754
469 1 7 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.758 0.061 25754
470 1 7 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.040 -3.679 25754
471 1 7 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.216 -2.691 25754
472 1 7 . 1 1 2 2 LEU H H 2 8.432 8.432 8.025 0.407 25754
473 1 7 . 1 1 3 3 SER HA H 3 4.747 4.747 4.778 -0.031 25754
474 1 7 . 1 1 3 3 SER CA C 3 57.051 57.051 57.489 -0.438 25754
475 1 7 . 1 1 3 3 SER CB C 3 62.680 62.680 65.409 -2.729 25754
476 1 7 . 1 1 3 3 SER H H 3 8.665 8.665 7.664 1.001 25754
477 1 7 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.255 0.228 25754
478 1 7 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.334 -4.159 25754
479 1 7 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.294 -2.853 25754
480 1 7 . 1 1 4 4 GLN H H 4 8.242 8.242 8.614 -0.372 25754
481 1 7 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.351 -1.209 25754
482 1 7 . 1 1 5 5 GLY H H 5 7.057 7.057 7.458 -0.401 25754
483 1 7 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.268 -0.291 25754
484 1 7 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.302 -4.250 25754
485 1 7 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.222 -1.379 25754
486 1 7 . 1 1 6 6 VAL H H 6 8.325 8.325 8.441 -0.116 25754
487 1 7 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.977 0.054 25754
488 1 7 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.752 -2.735 25754
489 1 7 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.672 -4.277 25754
490 1 7 . 1 1 7 7 GLU H H 7 8.970 8.970 8.502 0.468 25754
491 1 7 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.081 -0.424 25754
492 1 7 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.995 -1.568 25754
493 1 7 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.176 -2.189 25754
494 1 7 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.629 -0.139 25754
495 1 7 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.927 -9.149 25754
496 1 7 . 1 1 9 9 ASP H H 9 7.742 7.742 8.242 -0.500 25754
497 1 7 . 1 1 10 10 ILE HA H 10 3.980 3.980 3.947 0.033 25754
498 1 7 . 1 1 10 10 ILE CA C 10 56.694 56.694 62.233 -5.539 25754
499 1 7 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.747 -1.371 25754
500 1 7 . 1 1 10 10 ILE H H 10 6.912 6.912 7.752 -0.840 25754
501 1 7 . 1 1 11 11 GLY CA C 11 44.374 44.374 45.946 -1.572 25754
502 1 7 . 1 1 11 11 GLY H H 11 8.381 8.381 8.381 -0.000 25754
503 1 7 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.136 0.169 25754
504 1 7 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.598 -5.134 25754
505 1 7 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.190 -2.731 25754
506 1 7 . 1 1 12 12 GLN H H 12 8.824 8.824 8.111 0.713 25754
507 1 7 . 1 1 13 13 THR HA H 13 4.473 4.473 4.480 -0.007 25754
508 1 7 . 1 1 13 13 THR CA C 13 58.097 58.097 59.681 -1.584 25754
509 1 7 . 1 1 13 13 THR CB C 13 67.244 67.244 71.838 -4.594 25754
510 1 7 . 1 1 13 13 THR H H 13 8.353 8.353 7.271 1.082 25754
511 1 7 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.230 -0.593 25754
512 1 7 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.245 -9.408 25754
513 1 7 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.301 -2.455 25754
514 1 7 . 1 1 14 14 TYR H H 14 8.730 8.730 8.848 -0.118 25754
515 1 7 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.683 -0.157 25754
516 1 7 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.699 0.356 25754
517 1 7 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.298 -6.167 25754
518 1 7 . 1 1 15 15 PHE H H 15 8.338 8.338 7.818 0.520 25754
519 1 7 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.080 0.179 25754
520 1 7 . 1 1 16 16 GLU CA C 16 53.525 53.525 58.227 -4.702 25754
521 1 7 . 1 1 16 16 GLU CB C 16 25.722 25.722 30.170 -4.448 25754
522 1 7 . 1 1 16 16 GLU H H 16 8.965 8.965 8.630 0.335 25754
523 1 7 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.482 -0.160 25754
524 1 7 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.993 -3.800 25754
525 1 7 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.837 -4.372 25754
526 1 7 . 1 1 17 17 GLU H H 17 8.830 8.830 8.908 -0.078 25754
527 1 7 . 1 1 18 18 SER HA H 18 4.326 4.326 4.384 -0.058 25754
528 1 7 . 1 1 18 18 SER CA C 18 55.566 55.566 59.477 -3.911 25754
529 1 7 . 1 1 18 18 SER CB C 18 61.011 61.011 62.336 -1.325 25754
530 1 7 . 1 1 18 18 SER H H 18 8.367 8.367 8.393 -0.026 25754
531 1 7 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.249 0.004 25754
532 1 7 . 1 1 19 19 ARG CA C 19 59.143 59.143 56.438 2.704 25754
533 1 7 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.260 -2.239 25754
534 1 7 . 1 1 19 19 ARG H H 19 8.301 8.301 7.955 0.346 25754
535 1 7 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.845 0.172 25754
536 1 7 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.994 -3.537 25754
537 1 7 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.125 -2.177 25754
538 1 7 . 1 1 20 20 ILE H H 20 8.014 8.014 7.508 0.506 25754
539 1 7 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.680 -0.123 25754
540 1 7 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.140 -2.593 25754
541 1 7 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.310 -2.346 25754
542 1 7 . 1 1 21 21 ASN H H 21 8.383 8.383 8.321 0.062 25754
543 1 7 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.345 -0.125 25754
544 1 7 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.869 -2.839 25754
545 1 7 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.404 -2.596 25754
546 1 7 . 1 1 22 22 GLN H H 22 8.219 8.219 8.445 -0.226 25754
547 1 8 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.541 0.278 25754
548 1 8 . 1 1 2 2 LEU CA C 2 51.361 51.361 54.896 -3.535 25754
549 1 8 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.310 -2.785 25754
550 1 8 . 1 1 2 2 LEU H H 2 8.432 8.432 8.330 0.102 25754
551 1 8 . 1 1 3 3 SER HA H 3 4.747 4.747 4.720 0.027 25754
552 1 8 . 1 1 3 3 SER CA C 3 57.051 57.051 56.571 0.480 25754
553 1 8 . 1 1 3 3 SER CB C 3 62.680 62.680 65.976 -3.296 25754
554 1 8 . 1 1 3 3 SER H H 3 8.665 8.665 7.428 1.237 25754
555 1 8 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.363 0.120 25754
556 1 8 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.581 -4.406 25754
557 1 8 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.620 -3.179 25754
558 1 8 . 1 1 4 4 GLN H H 4 8.242 8.242 8.944 -0.702 25754
559 1 8 . 1 1 5 5 GLY CA C 5 43.142 43.142 45.021 -1.879 25754
560 1 8 . 1 1 5 5 GLY H H 5 7.057 7.057 7.096 -0.039 25754
561 1 8 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.157 -0.180 25754
562 1 8 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.764 -3.712 25754
563 1 8 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.281 -1.438 25754
564 1 8 . 1 1 6 6 VAL H H 6 8.325 8.325 8.421 -0.096 25754
565 1 8 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.899 0.132 25754
566 1 8 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.474 -2.457 25754
567 1 8 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.626 -4.231 25754
568 1 8 . 1 1 7 7 GLU H H 7 8.970 8.970 8.473 0.497 25754
569 1 8 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.009 -0.352 25754
570 1 8 . 1 1 8 8 PRO CA C 8 61.427 61.427 63.108 -1.681 25754
571 1 8 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.105 -2.118 25754
572 1 8 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.737 -0.247 25754
573 1 8 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.885 -10.107 25754
574 1 8 . 1 1 9 9 ASP H H 9 7.742 7.742 8.524 -0.782 25754
575 1 8 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.244 -0.264 25754
576 1 8 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.891 -3.196 25754
577 1 8 . 1 1 10 10 ILE CB C 10 37.376 37.376 37.929 -0.554 25754
578 1 8 . 1 1 10 10 ILE H H 10 6.912 6.912 7.642 -0.730 25754
579 1 8 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.288 -2.914 25754
580 1 8 . 1 1 11 11 GLY H H 11 8.381 8.381 8.359 0.022 25754
581 1 8 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.349 -0.044 25754
582 1 8 . 1 1 12 12 GLN CA C 12 52.464 52.464 56.213 -3.749 25754
583 1 8 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.680 -3.221 25754
584 1 8 . 1 1 12 12 GLN H H 12 8.824 8.824 8.351 0.473 25754
585 1 8 . 1 1 13 13 THR HA H 13 4.473 4.473 4.736 -0.263 25754
586 1 8 . 1 1 13 13 THR CA C 13 58.097 58.097 59.370 -1.273 25754
587 1 8 . 1 1 13 13 THR CB C 13 67.244 67.244 71.642 -4.398 25754
588 1 8 . 1 1 13 13 THR H H 13 8.353 8.353 7.153 1.200 25754
589 1 8 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.124 -0.487 25754
590 1 8 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.682 -9.845 25754
591 1 8 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.985 -3.139 25754
592 1 8 . 1 1 14 14 TYR H H 14 8.730 8.730 9.118 -0.388 25754
593 1 8 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.801 -0.275 25754
594 1 8 . 1 1 15 15 PHE CA C 15 57.055 57.055 57.162 -0.107 25754
595 1 8 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.424 -6.293 25754
596 1 8 . 1 1 15 15 PHE H H 15 8.338 8.338 7.855 0.483 25754
597 1 8 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.247 0.012 25754
598 1 8 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.598 -3.073 25754
599 1 8 . 1 1 16 16 GLU CB C 16 25.722 25.722 27.982 -2.260 25754
600 1 8 . 1 1 16 16 GLU H H 16 8.965 8.965 8.864 0.101 25754
601 1 8 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.245 0.077 25754
602 1 8 . 1 1 17 17 GLU CA C 17 53.193 53.193 58.436 -5.243 25754
603 1 8 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.352 -3.887 25754
604 1 8 . 1 1 17 17 GLU H H 17 8.830 8.830 8.630 0.200 25754
605 1 8 . 1 1 18 18 SER HA H 18 4.326 4.326 4.577 -0.251 25754
606 1 8 . 1 1 18 18 SER CA C 18 55.566 55.566 58.473 -2.907 25754
607 1 8 . 1 1 18 18 SER CB C 18 61.011 61.011 64.076 -3.065 25754
608 1 8 . 1 1 18 18 SER H H 18 8.367 8.367 7.779 0.588 25754
609 1 8 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.614 -0.361 25754
610 1 8 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.452 3.692 25754
611 1 8 . 1 1 19 19 ARG CB C 19 28.021 28.021 31.178 -3.157 25754
612 1 8 . 1 1 19 19 ARG H H 19 8.301 8.301 8.617 -0.316 25754
613 1 8 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.895 0.122 25754
614 1 8 . 1 1 20 20 ILE CA C 20 58.457 58.457 63.023 -4.566 25754
615 1 8 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.388 -2.440 25754
616 1 8 . 1 1 20 20 ILE H H 20 8.014 8.014 7.725 0.289 25754
617 1 8 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.901 -0.344 25754
618 1 8 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.543 -1.996 25754
619 1 8 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.207 -4.243 25754
620 1 8 . 1 1 21 21 ASN H H 21 8.383 8.383 8.419 -0.036 25754
621 1 8 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.585 -0.365 25754
622 1 8 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.755 -2.725 25754
623 1 8 . 1 1 22 22 GLN CB C 22 26.808 26.808 28.508 -1.700 25754
624 1 8 . 1 1 22 22 GLN H H 22 8.219 8.219 8.588 -0.369 25754
625 1 9 . 1 1 2 2 LEU HA H 2 4.819 4.819 5.062 -0.243 25754
626 1 9 . 1 1 2 2 LEU CA C 2 51.361 51.361 54.545 -3.184 25754
627 1 9 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.513 -3.988 25754
628 1 9 . 1 1 2 2 LEU H H 2 8.432 8.432 7.998 0.434 25754
629 1 9 . 1 1 3 3 SER HA H 3 4.747 4.747 4.837 -0.090 25754
630 1 9 . 1 1 3 3 SER CA C 3 57.051 57.051 56.322 0.729 25754
631 1 9 . 1 1 3 3 SER CB C 3 62.680 62.680 66.609 -3.929 25754
632 1 9 . 1 1 3 3 SER H H 3 8.665 8.665 8.216 0.449 25754
633 1 9 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.479 0.004 25754
634 1 9 . 1 1 4 4 GLN CA C 4 53.175 53.175 55.742 -2.567 25754
635 1 9 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.867 -3.426 25754
636 1 9 . 1 1 4 4 GLN H H 4 8.242 8.242 8.775 -0.533 25754
637 1 9 . 1 1 5 5 GLY CA C 5 43.142 43.142 45.224 -2.082 25754
638 1 9 . 1 1 5 5 GLY H H 5 7.057 7.057 7.894 -0.837 25754
639 1 9 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.154 -0.177 25754
640 1 9 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.086 -4.034 25754
641 1 9 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.437 -1.594 25754
642 1 9 . 1 1 6 6 VAL H H 6 8.325 8.325 8.326 -0.001 25754
643 1 9 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.838 0.193 25754
644 1 9 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.368 -2.351 25754
645 1 9 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.862 -4.467 25754
646 1 9 . 1 1 7 7 GLU H H 7 8.970 8.970 8.231 0.739 25754
647 1 9 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.913 -0.256 25754
648 1 9 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.676 -1.249 25754
649 1 9 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.290 -1.303 25754
650 1 9 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.798 -0.308 25754
651 1 9 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.202 -9.424 25754
652 1 9 . 1 1 9 9 ASP H H 9 7.742 7.742 8.757 -1.015 25754
653 1 9 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.053 -0.073 25754
654 1 9 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.570 -3.876 25754
655 1 9 . 1 1 10 10 ILE CB C 10 37.376 37.376 35.844 1.532 25754
656 1 9 . 1 1 10 10 ILE H H 10 6.912 6.912 7.742 -0.830 25754
657 1 9 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.864 -2.490 25754
658 1 9 . 1 1 11 11 GLY H H 11 8.381 8.381 8.279 0.102 25754
659 1 9 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.094 0.211 25754
660 1 9 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.492 -5.028 25754
661 1 9 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.441 -2.982 25754
662 1 9 . 1 1 12 12 GLN H H 12 8.824 8.824 8.273 0.551 25754
663 1 9 . 1 1 13 13 THR HA H 13 4.473 4.473 4.717 -0.244 25754
664 1 9 . 1 1 13 13 THR CA C 13 58.097 58.097 60.046 -1.949 25754
665 1 9 . 1 1 13 13 THR CB C 13 67.244 67.244 71.659 -4.415 25754
666 1 9 . 1 1 13 13 THR H H 13 8.353 8.353 7.244 1.109 25754
667 1 9 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.297 -0.660 25754
668 1 9 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.246 -7.409 25754
669 1 9 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.999 -3.153 25754
670 1 9 . 1 1 14 14 TYR H H 14 8.730 8.730 9.299 -0.569 25754
671 1 9 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.339 0.187 25754
672 1 9 . 1 1 15 15 PHE CA C 15 57.055 57.055 58.662 -1.607 25754
673 1 9 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.345 -2.214 25754
674 1 9 . 1 1 15 15 PHE H H 15 8.338 8.338 8.666 -0.328 25754
675 1 9 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.085 0.174 25754
676 1 9 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.029 -3.504 25754
677 1 9 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.086 -2.364 25754
678 1 9 . 1 1 16 16 GLU H H 16 8.965 8.965 8.688 0.277 25754
679 1 9 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.330 -0.008 25754
680 1 9 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.751 -4.558 25754
681 1 9 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.509 -4.043 25754
682 1 9 . 1 1 17 17 GLU H H 17 8.830 8.830 8.527 0.303 25754
683 1 9 . 1 1 18 18 SER HA H 18 4.326 4.326 4.560 -0.234 25754
684 1 9 . 1 1 18 18 SER CA C 18 55.566 55.566 58.463 -2.897 25754
685 1 9 . 1 1 18 18 SER CB C 18 61.011 61.011 63.424 -2.413 25754
686 1 9 . 1 1 18 18 SER H H 18 8.367 8.367 8.193 0.174 25754
687 1 9 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.608 -0.355 25754
688 1 9 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.544 3.599 25754
689 1 9 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.696 -2.675 25754
690 1 9 . 1 1 19 19 ARG H H 19 8.301 8.301 8.564 -0.263 25754
691 1 9 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.875 0.142 25754
692 1 9 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.217 -3.760 25754
693 1 9 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.088 -2.140 25754
694 1 9 . 1 1 20 20 ILE H H 20 8.014 8.014 7.740 0.274 25754
695 1 9 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.727 -0.170 25754
696 1 9 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.289 -2.742 25754
697 1 9 . 1 1 21 21 ASN CB C 21 35.964 35.964 39.368 -3.404 25754
698 1 9 . 1 1 21 21 ASN H H 21 8.383 8.383 8.311 0.072 25754
699 1 9 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.474 -0.254 25754
700 1 9 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.823 -2.793 25754
701 1 9 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.710 -2.902 25754
702 1 9 . 1 1 22 22 GLN H H 22 8.219 8.219 8.487 -0.268 25754
703 1 10 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.902 -0.083 25754
704 1 10 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.177 -3.816 25754
705 1 10 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.208 -3.683 25754
706 1 10 . 1 1 2 2 LEU H H 2 8.432 8.432 8.758 -0.326 25754
707 1 10 . 1 1 3 3 SER HA H 3 4.747 4.747 4.827 -0.080 25754
708 1 10 . 1 1 3 3 SER CA C 3 57.051 57.051 57.181 -0.130 25754
709 1 10 . 1 1 3 3 SER CB C 3 62.680 62.680 66.170 -3.490 25754
710 1 10 . 1 1 3 3 SER H H 3 8.665 8.665 8.237 0.428 25754
711 1 10 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.322 0.161 25754
712 1 10 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.678 -4.503 25754
713 1 10 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.263 -2.822 25754
714 1 10 . 1 1 4 4 GLN H H 4 8.242 8.242 8.606 -0.364 25754
715 1 10 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.929 -1.787 25754
716 1 10 . 1 1 5 5 GLY H H 5 7.057 7.057 7.680 -0.623 25754
717 1 10 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.162 -0.185 25754
718 1 10 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.470 -4.418 25754
719 1 10 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.964 -1.121 25754
720 1 10 . 1 1 6 6 VAL H H 6 8.325 8.325 8.283 0.042 25754
721 1 10 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.773 0.258 25754
722 1 10 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.310 -2.293 25754
723 1 10 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.740 -3.345 25754
724 1 10 . 1 1 7 7 GLU H H 7 8.970 8.970 8.096 0.874 25754
725 1 10 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.899 -0.242 25754
726 1 10 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.834 -1.407 25754
727 1 10 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.108 -2.121 25754
728 1 10 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.780 -0.290 25754
729 1 10 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.203 -10.425 25754
730 1 10 . 1 1 9 9 ASP H H 9 7.742 7.742 8.708 -0.966 25754
731 1 10 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.384 -0.404 25754
732 1 10 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.868 -3.174 25754
733 1 10 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.857 -1.481 25754
734 1 10 . 1 1 10 10 ILE H H 10 6.912 6.912 8.223 -1.311 25754
735 1 10 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.031 -2.657 25754
736 1 10 . 1 1 11 11 GLY H H 11 8.381 8.381 8.642 -0.261 25754
737 1 10 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.493 -0.188 25754
738 1 10 . 1 1 12 12 GLN CA C 12 52.464 52.464 55.383 -2.919 25754
739 1 10 . 1 1 12 12 GLN CB C 12 26.459 26.459 30.355 -3.896 25754
740 1 10 . 1 1 12 12 GLN H H 12 8.824 8.824 8.311 0.513 25754
741 1 10 . 1 1 13 13 THR HA H 13 4.473 4.473 5.058 -0.585 25754
742 1 10 . 1 1 13 13 THR CA C 13 58.097 58.097 60.279 -2.182 25754
743 1 10 . 1 1 13 13 THR CB C 13 67.244 67.244 71.763 -4.519 25754
744 1 10 . 1 1 13 13 THR H H 13 8.353 8.353 7.982 0.371 25754
745 1 10 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.189 -0.552 25754
746 1 10 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.512 -7.675 25754
747 1 10 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.166 -2.321 25754
748 1 10 . 1 1 14 14 TYR H H 14 8.730 8.730 8.870 -0.140 25754
749 1 10 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.557 -0.031 25754
750 1 10 . 1 1 15 15 PHE CA C 15 57.055 57.055 57.581 -0.526 25754
751 1 10 . 1 1 15 15 PHE CB C 15 37.131 37.131 40.056 -2.925 25754
752 1 10 . 1 1 15 15 PHE H H 15 8.338 8.338 8.808 -0.470 25754
753 1 10 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.166 0.093 25754
754 1 10 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.391 -3.866 25754
755 1 10 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.889 -3.167 25754
756 1 10 . 1 1 16 16 GLU H H 16 8.965 8.965 8.844 0.121 25754
757 1 10 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.244 0.078 25754
758 1 10 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.968 -3.775 25754
759 1 10 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.904 -3.439 25754
760 1 10 . 1 1 17 17 GLU H H 17 8.830 8.830 8.315 0.515 25754
761 1 10 . 1 1 18 18 SER HA H 18 4.326 4.326 4.261 0.065 25754
762 1 10 . 1 1 18 18 SER CA C 18 55.566 55.566 58.923 -3.357 25754
763 1 10 . 1 1 18 18 SER CB C 18 61.011 61.011 62.610 -1.599 25754
764 1 10 . 1 1 18 18 SER H H 18 8.367 8.367 8.574 -0.207 25754
765 1 10 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.330 -0.077 25754
766 1 10 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.833 3.310 25754
767 1 10 . 1 1 19 19 ARG CB C 19 28.021 28.021 28.629 -0.608 25754
768 1 10 . 1 1 19 19 ARG H H 19 8.301 8.301 8.601 -0.300 25754
769 1 10 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.997 0.020 25754
770 1 10 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.756 -3.299 25754
771 1 10 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.392 -2.444 25754
772 1 10 . 1 1 20 20 ILE H H 20 8.014 8.014 7.494 0.520 25754
773 1 10 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.929 -0.372 25754
774 1 10 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.894 -2.347 25754
775 1 10 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.750 -2.786 25754
776 1 10 . 1 1 21 21 ASN H H 21 8.383 8.383 8.430 -0.047 25754
777 1 10 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.585 -0.365 25754
778 1 10 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.515 -2.485 25754
779 1 10 . 1 1 22 22 GLN CB C 22 26.808 26.808 30.547 -3.739 25754
780 1 10 . 1 1 22 22 GLN H H 22 8.219 8.219 8.498 -0.279 25754
781 1 11 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.539 0.280 25754
782 1 11 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.027 -3.666 25754
783 1 11 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.740 -4.215 25754
784 1 11 . 1 1 2 2 LEU H H 2 8.432 8.432 8.713 -0.281 25754
785 1 11 . 1 1 3 3 SER HA H 3 4.747 4.747 4.784 -0.037 25754
786 1 11 . 1 1 3 3 SER CA C 3 57.051 57.051 56.228 0.823 25754
787 1 11 . 1 1 3 3 SER CB C 3 62.680 62.680 64.693 -2.013 25754
788 1 11 . 1 1 3 3 SER H H 3 8.665 8.665 8.163 0.502 25754
789 1 11 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.508 -0.025 25754
790 1 11 . 1 1 4 4 GLN CA C 4 53.175 53.175 54.942 -1.767 25754
791 1 11 . 1 1 4 4 GLN CB C 4 26.441 26.441 32.091 -5.650 25754
792 1 11 . 1 1 4 4 GLN H H 4 8.242 8.242 8.575 -0.333 25754
793 1 11 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.699 -1.557 25754
794 1 11 . 1 1 5 5 GLY H H 5 7.057 7.057 7.327 -0.270 25754
795 1 11 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.598 -0.621 25754
796 1 11 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.698 -3.646 25754
797 1 11 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.927 -2.084 25754
798 1 11 . 1 1 6 6 VAL H H 6 8.325 8.325 8.184 0.141 25754
799 1 11 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.904 0.127 25754
800 1 11 . 1 1 7 7 GLU CA C 7 50.017 50.017 53.121 -3.104 25754
801 1 11 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.692 -3.297 25754
802 1 11 . 1 1 7 7 GLU H H 7 8.970 8.970 8.608 0.362 25754
803 1 11 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.978 -0.321 25754
804 1 11 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.084 -0.657 25754
805 1 11 . 1 1 8 8 PRO CB C 8 29.987 29.987 30.958 -0.971 25754
806 1 11 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.484 0.006 25754
807 1 11 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.228 -8.450 25754
808 1 11 . 1 1 9 9 ASP H H 9 7.742 7.742 8.077 -0.335 25754
809 1 11 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.091 -0.111 25754
810 1 11 . 1 1 10 10 ILE CA C 10 56.694 56.694 61.192 -4.498 25754
811 1 11 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.519 -1.143 25754
812 1 11 . 1 1 10 10 ILE H H 10 6.912 6.912 7.619 -0.707 25754
813 1 11 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.324 -2.950 25754
814 1 11 . 1 1 11 11 GLY H H 11 8.381 8.381 8.424 -0.043 25754
815 1 11 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.195 0.110 25754
816 1 11 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.280 -4.816 25754
817 1 11 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.352 -2.893 25754
818 1 11 . 1 1 12 12 GLN H H 12 8.824 8.824 8.304 0.520 25754
819 1 11 . 1 1 13 13 THR HA H 13 4.473 4.473 4.825 -0.352 25754
820 1 11 . 1 1 13 13 THR CA C 13 58.097 58.097 59.463 -1.366 25754
821 1 11 . 1 1 13 13 THR CB C 13 67.244 67.244 71.853 -4.609 25754
822 1 11 . 1 1 13 13 THR H H 13 8.353 8.353 7.214 1.139 25754
823 1 11 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.345 -0.708 25754
824 1 11 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.099 -7.263 25754
825 1 11 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.683 -2.837 25754
826 1 11 . 1 1 14 14 TYR H H 14 8.730 8.730 9.184 -0.454 25754
827 1 11 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.358 0.168 25754
828 1 11 . 1 1 15 15 PHE CA C 15 57.055 57.055 59.429 -2.374 25754
829 1 11 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.491 -2.360 25754
830 1 11 . 1 1 15 15 PHE H H 15 8.338 8.338 8.575 -0.237 25754
831 1 11 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.163 0.096 25754
832 1 11 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.059 -3.534 25754
833 1 11 . 1 1 16 16 GLU CB C 16 25.722 25.722 29.328 -3.606 25754
834 1 11 . 1 1 16 16 GLU H H 16 8.965 8.965 8.598 0.367 25754
835 1 11 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.254 0.068 25754
836 1 11 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.984 -4.792 25754
837 1 11 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.283 -3.818 25754
838 1 11 . 1 1 17 17 GLU H H 17 8.830 8.830 8.862 -0.032 25754
839 1 11 . 1 1 18 18 SER HA H 18 4.326 4.326 4.490 -0.164 25754
840 1 11 . 1 1 18 18 SER CA C 18 55.566 55.566 58.537 -2.971 25754
841 1 11 . 1 1 18 18 SER CB C 18 61.011 61.011 63.533 -2.522 25754
842 1 11 . 1 1 18 18 SER H H 18 8.367 8.367 8.148 0.219 25754
843 1 11 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.634 -0.381 25754
844 1 11 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.914 3.229 25754
845 1 11 . 1 1 19 19 ARG CB C 19 28.021 28.021 31.365 -3.344 25754
846 1 11 . 1 1 19 19 ARG H H 19 8.301 8.301 8.488 -0.187 25754
847 1 11 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.024 -0.007 25754
848 1 11 . 1 1 20 20 ILE CA C 20 58.457 58.457 60.318 -1.861 25754
849 1 11 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.732 -1.784 25754
850 1 11 . 1 1 20 20 ILE H H 20 8.014 8.014 8.497 -0.483 25754
851 1 11 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.480 0.077 25754
852 1 11 . 1 1 21 21 ASN CA C 21 50.547 50.547 54.294 -3.747 25754
853 1 11 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.859 -2.895 25754
854 1 11 . 1 1 21 21 ASN H H 21 8.383 8.383 8.375 0.008 25754
855 1 11 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.093 0.127 25754
856 1 11 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.087 -3.057 25754
857 1 11 . 1 1 22 22 GLN CB C 22 26.808 26.808 28.627 -1.819 25754
858 1 11 . 1 1 22 22 GLN H H 22 8.219 8.219 8.419 -0.200 25754
859 1 12 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.545 0.274 25754
860 1 12 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.314 -3.953 25754
861 1 12 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.126 -3.600 25754
862 1 12 . 1 1 2 2 LEU H H 2 8.432 8.432 8.355 0.077 25754
863 1 12 . 1 1 3 3 SER HA H 3 4.747 4.747 4.771 -0.024 25754
864 1 12 . 1 1 3 3 SER CA C 3 57.051 57.051 56.617 0.434 25754
865 1 12 . 1 1 3 3 SER CB C 3 62.680 62.680 65.744 -3.064 25754
866 1 12 . 1 1 3 3 SER H H 3 8.665 8.665 7.760 0.905 25754
867 1 12 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.158 0.325 25754
868 1 12 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.909 -4.734 25754
869 1 12 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.599 -3.158 25754
870 1 12 . 1 1 4 4 GLN H H 4 8.242 8.242 8.730 -0.488 25754
871 1 12 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.679 -1.537 25754
872 1 12 . 1 1 5 5 GLY H H 5 7.057 7.057 7.593 -0.536 25754
873 1 12 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.119 -0.142 25754
874 1 12 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.414 -4.362 25754
875 1 12 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.297 -0.454 25754
876 1 12 . 1 1 6 6 VAL H H 6 8.325 8.325 8.362 -0.037 25754
877 1 12 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.916 0.115 25754
878 1 12 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.690 -2.673 25754
879 1 12 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.551 -4.156 25754
880 1 12 . 1 1 7 7 GLU H H 7 8.970 8.970 8.312 0.657 25754
881 1 12 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.987 -0.330 25754
882 1 12 . 1 1 8 8 PRO CA C 8 61.427 61.427 63.745 -2.318 25754
883 1 12 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.220 -2.233 25754
884 1 12 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.765 -0.275 25754
885 1 12 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.224 -10.446 25754
886 1 12 . 1 1 9 9 ASP H H 9 7.742 7.742 8.471 -0.729 25754
887 1 12 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.449 -0.469 25754
888 1 12 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.718 -3.024 25754
889 1 12 . 1 1 10 10 ILE CB C 10 37.376 37.376 40.306 -2.930 25754
890 1 12 . 1 1 10 10 ILE H H 10 6.912 6.912 7.556 -0.644 25754
891 1 12 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.817 -2.443 25754
892 1 12 . 1 1 11 11 GLY H H 11 8.381 8.381 8.314 0.067 25754
893 1 12 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.335 -0.030 25754
894 1 12 . 1 1 12 12 GLN CA C 12 52.464 52.464 56.394 -3.930 25754
895 1 12 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.614 -3.155 25754
896 1 12 . 1 1 12 12 GLN H H 12 8.824 8.824 8.419 0.405 25754
897 1 12 . 1 1 13 13 THR HA H 13 4.473 4.473 4.679 -0.206 25754
898 1 12 . 1 1 13 13 THR CA C 13 58.097 58.097 59.852 -1.755 25754
899 1 12 . 1 1 13 13 THR CB C 13 67.244 67.244 71.240 -3.996 25754
900 1 12 . 1 1 13 13 THR H H 13 8.353 8.353 7.233 1.120 25754
901 1 12 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.251 -0.614 25754
902 1 12 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.493 -9.656 25754
903 1 12 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.640 -2.794 25754
904 1 12 . 1 1 14 14 TYR H H 14 8.730 8.730 9.235 -0.505 25754
905 1 12 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.827 -0.301 25754
906 1 12 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.594 0.461 25754
907 1 12 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.389 -6.258 25754
908 1 12 . 1 1 15 15 PHE H H 15 8.338 8.338 7.913 0.425 25754
909 1 12 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.212 0.047 25754
910 1 12 . 1 1 16 16 GLU CA C 16 53.525 53.525 55.909 -2.384 25754
911 1 12 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.711 -2.989 25754
912 1 12 . 1 1 16 16 GLU H H 16 8.965 8.965 8.664 0.301 25754
913 1 12 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.316 0.006 25754
914 1 12 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.305 -4.112 25754
915 1 12 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.128 -3.663 25754
916 1 12 . 1 1 17 17 GLU H H 17 8.830 8.830 8.016 0.814 25754
917 1 12 . 1 1 18 18 SER HA H 18 4.326 4.326 4.426 -0.100 25754
918 1 12 . 1 1 18 18 SER CA C 18 55.566 55.566 58.354 -2.788 25754
919 1 12 . 1 1 18 18 SER CB C 18 61.011 61.011 63.153 -2.142 25754
920 1 12 . 1 1 18 18 SER H H 18 8.367 8.367 8.352 0.015 25754
921 1 12 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.538 -0.285 25754
922 1 12 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.880 3.263 25754
923 1 12 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.863 -2.842 25754
924 1 12 . 1 1 19 19 ARG H H 19 8.301 8.301 8.493 -0.192 25754
925 1 12 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.921 0.096 25754
926 1 12 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.506 -4.049 25754
927 1 12 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.972 -2.024 25754
928 1 12 . 1 1 20 20 ILE H H 20 8.014 8.014 8.035 -0.021 25754
929 1 12 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.900 -0.343 25754
930 1 12 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.387 -2.840 25754
931 1 12 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.722 -2.758 25754
932 1 12 . 1 1 21 21 ASN H H 21 8.383 8.383 8.546 -0.163 25754
933 1 12 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.432 -0.212 25754
934 1 12 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.000 -2.970 25754
935 1 12 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.602 -2.794 25754
936 1 12 . 1 1 22 22 GLN H H 22 8.219 8.219 8.597 -0.378 25754
937 1 13 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.945 -0.126 25754
938 1 13 . 1 1 2 2 LEU CA C 2 51.361 51.361 54.636 -3.275 25754
939 1 13 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.955 -3.430 25754
940 1 13 . 1 1 2 2 LEU H H 2 8.432 8.432 8.025 0.407 25754
941 1 13 . 1 1 3 3 SER HA H 3 4.747 4.747 4.891 -0.144 25754
942 1 13 . 1 1 3 3 SER CA C 3 57.051 57.051 56.696 0.355 25754
943 1 13 . 1 1 3 3 SER CB C 3 62.680 62.680 65.657 -2.977 25754
944 1 13 . 1 1 3 3 SER H H 3 8.665 8.665 8.428 0.237 25754
945 1 13 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.522 -0.039 25754
946 1 13 . 1 1 4 4 GLN CA C 4 53.175 53.175 55.274 -2.099 25754
947 1 13 . 1 1 4 4 GLN CB C 4 26.441 26.441 30.367 -3.926 25754
948 1 13 . 1 1 4 4 GLN H H 4 8.242 8.242 8.597 -0.355 25754
949 1 13 . 1 1 5 5 GLY CA C 5 43.142 43.142 45.001 -1.859 25754
950 1 13 . 1 1 5 5 GLY H H 5 7.057 7.057 7.481 -0.424 25754
951 1 13 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.003 -0.026 25754
952 1 13 . 1 1 6 6 VAL CA C 6 59.052 59.052 64.197 -5.145 25754
953 1 13 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.258 -0.415 25754
954 1 13 . 1 1 6 6 VAL H H 6 8.325 8.325 8.446 -0.121 25754
955 1 13 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.938 0.093 25754
956 1 13 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.267 -2.250 25754
957 1 13 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.689 -4.294 25754
958 1 13 . 1 1 7 7 GLU H H 7 8.970 8.970 8.494 0.476 25754
959 1 13 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.920 -0.263 25754
960 1 13 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.893 -1.466 25754
961 1 13 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.766 -1.779 25754
962 1 13 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.649 -0.159 25754
963 1 13 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.495 -9.717 25754
964 1 13 . 1 1 9 9 ASP H H 9 7.742 7.742 8.516 -0.774 25754
965 1 13 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.388 -0.408 25754
966 1 13 . 1 1 10 10 ILE CA C 10 56.694 56.694 58.803 -2.109 25754
967 1 13 . 1 1 10 10 ILE CB C 10 37.376 37.376 39.006 -1.630 25754
968 1 13 . 1 1 10 10 ILE H H 10 6.912 6.912 7.356 -0.444 25754
969 1 13 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.009 -1.635 25754
970 1 13 . 1 1 11 11 GLY H H 11 8.381 8.381 8.354 0.027 25754
971 1 13 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.009 0.296 25754
972 1 13 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.772 -5.308 25754
973 1 13 . 1 1 12 12 GLN CB C 12 26.459 26.459 28.777 -2.318 25754
974 1 13 . 1 1 12 12 GLN H H 12 8.824 8.824 8.692 0.132 25754
975 1 13 . 1 1 13 13 THR HA H 13 4.473 4.473 5.081 -0.608 25754
976 1 13 . 1 1 13 13 THR CA C 13 58.097 58.097 60.171 -2.074 25754
977 1 13 . 1 1 13 13 THR CB C 13 67.244 67.244 71.502 -4.258 25754
978 1 13 . 1 1 13 13 THR H H 13 8.353 8.353 7.324 1.029 25754
979 1 13 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.134 -0.497 25754
980 1 13 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.162 -7.325 25754
981 1 13 . 1 1 14 14 TYR CB C 14 38.846 38.846 42.248 -3.402 25754
982 1 13 . 1 1 14 14 TYR H H 14 8.730 8.730 9.110 -0.380 25754
983 1 13 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.340 0.186 25754
984 1 13 . 1 1 15 15 PHE CA C 15 57.055 57.055 59.795 -2.740 25754
985 1 13 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.535 -2.404 25754
986 1 13 . 1 1 15 15 PHE H H 15 8.338 8.338 8.620 -0.282 25754
987 1 13 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.208 0.051 25754
988 1 13 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.172 -3.647 25754
989 1 13 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.916 -3.194 25754
990 1 13 . 1 1 16 16 GLU H H 16 8.965 8.965 8.951 0.014 25754
991 1 13 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.239 0.083 25754
992 1 13 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.168 -3.975 25754
993 1 13 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.951 -3.486 25754
994 1 13 . 1 1 17 17 GLU H H 17 8.830 8.830 8.260 0.570 25754
995 1 13 . 1 1 18 18 SER HA H 18 4.326 4.326 4.189 0.137 25754
996 1 13 . 1 1 18 18 SER CA C 18 55.566 55.566 58.950 -3.384 25754
997 1 13 . 1 1 18 18 SER CB C 18 61.011 61.011 62.570 -1.559 25754
998 1 13 . 1 1 18 18 SER H H 18 8.367 8.367 8.496 -0.129 25754
999 1 13 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.588 -0.335 25754
1000 1 13 . 1 1 19 19 ARG CA C 19 59.143 59.143 54.601 4.542 25754
1001 1 13 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.297 -2.276 25754
1002 1 13 . 1 1 19 19 ARG H H 19 8.301 8.301 8.430 -0.129 25754
1003 1 13 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.867 0.150 25754
1004 1 13 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.574 -3.117 25754
1005 1 13 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.516 -1.567 25754
1006 1 13 . 1 1 20 20 ILE H H 20 8.014 8.014 8.134 -0.120 25754
1007 1 13 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.411 0.146 25754
1008 1 13 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.573 -3.026 25754
1009 1 13 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.136 -2.171 25754
1010 1 13 . 1 1 21 21 ASN H H 21 8.383 8.383 8.659 -0.276 25754
1011 1 13 . 1 1 22 22 GLN HA H 22 4.220 4.220 3.980 0.240 25754
1012 1 13 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.885 -3.855 25754
1013 1 13 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.311 -2.503 25754
1014 1 13 . 1 1 22 22 GLN H H 22 8.219 8.219 8.182 0.037 25754
1015 1 14 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.861 -0.042 25754
1016 1 14 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.087 -3.726 25754
1017 1 14 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.335 -3.810 25754
1018 1 14 . 1 1 2 2 LEU H H 2 8.432 8.432 8.642 -0.210 25754
1019 1 14 . 1 1 3 3 SER HA H 3 4.747 4.747 4.764 -0.017 25754
1020 1 14 . 1 1 3 3 SER CA C 3 57.051 57.051 56.713 0.338 25754
1021 1 14 . 1 1 3 3 SER CB C 3 62.680 62.680 66.493 -3.813 25754
1022 1 14 . 1 1 3 3 SER H H 3 8.665 8.665 8.182 0.483 25754
1023 1 14 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.108 0.375 25754
1024 1 14 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.148 -3.973 25754
1025 1 14 . 1 1 4 4 GLN CB C 4 26.441 26.441 28.734 -2.293 25754
1026 1 14 . 1 1 4 4 GLN H H 4 8.242 8.242 8.691 -0.449 25754
1027 1 14 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.784 -1.642 25754
1028 1 14 . 1 1 5 5 GLY H H 5 7.057 7.057 7.518 -0.461 25754
1029 1 14 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.144 -0.167 25754
1030 1 14 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.137 -4.085 25754
1031 1 14 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.589 -0.746 25754
1032 1 14 . 1 1 6 6 VAL H H 6 8.325 8.325 8.217 0.108 25754
1033 1 14 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.829 0.202 25754
1034 1 14 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.643 -2.626 25754
1035 1 14 . 1 1 7 7 GLU CB C 7 26.395 26.395 31.649 -5.254 25754
1036 1 14 . 1 1 7 7 GLU H H 7 8.970 8.970 8.103 0.867 25754
1037 1 14 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.086 -0.429 25754
1038 1 14 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.170 -0.743 25754
1039 1 14 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.269 -1.282 25754
1040 1 14 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.478 0.012 25754
1041 1 14 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.231 -8.453 25754
1042 1 14 . 1 1 9 9 ASP H H 9 7.742 7.742 8.113 -0.371 25754
1043 1 14 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.175 -0.195 25754
1044 1 14 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.342 -3.648 25754
1045 1 14 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.224 -0.848 25754
1046 1 14 . 1 1 10 10 ILE H H 10 6.912 6.912 7.632 -0.720 25754
1047 1 14 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.712 -2.338 25754
1048 1 14 . 1 1 11 11 GLY H H 11 8.381 8.381 8.423 -0.042 25754
1049 1 14 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.158 0.147 25754
1050 1 14 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.626 -5.162 25754
1051 1 14 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.149 -2.690 25754
1052 1 14 . 1 1 12 12 GLN H H 12 8.824 8.824 8.217 0.607 25754
1053 1 14 . 1 1 13 13 THR HA H 13 4.473 4.473 4.464 0.009 25754
1054 1 14 . 1 1 13 13 THR CA C 13 58.097 58.097 60.585 -2.488 25754
1055 1 14 . 1 1 13 13 THR CB C 13 67.244 67.244 71.423 -4.179 25754
1056 1 14 . 1 1 13 13 THR H H 13 8.353 8.353 7.865 0.488 25754
1057 1 14 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.445 -0.808 25754
1058 1 14 . 1 1 14 14 TYR CA C 14 48.837 48.837 55.929 -7.092 25754
1059 1 14 . 1 1 14 14 TYR CB C 14 38.846 38.846 40.909 -2.063 25754
1060 1 14 . 1 1 14 14 TYR H H 14 8.730 8.730 9.204 -0.474 25754
1061 1 14 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.407 0.119 25754
1062 1 14 . 1 1 15 15 PHE CA C 15 57.055 57.055 59.106 -2.051 25754
1063 1 14 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.659 -2.528 25754
1064 1 14 . 1 1 15 15 PHE H H 15 8.338 8.338 8.564 -0.226 25754
1065 1 14 . 1 1 16 16 GLU HA H 16 4.259 4.259 3.968 0.291 25754
1066 1 14 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.890 -4.365 25754
1067 1 14 . 1 1 16 16 GLU CB C 16 25.722 25.722 29.857 -4.135 25754
1068 1 14 . 1 1 16 16 GLU H H 16 8.965 8.965 8.411 0.554 25754
1069 1 14 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.513 -0.191 25754
1070 1 14 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.474 -3.281 25754
1071 1 14 . 1 1 17 17 GLU CB C 17 26.465 26.465 31.317 -4.852 25754
1072 1 14 . 1 1 17 17 GLU H H 17 8.830 8.830 8.550 0.280 25754
1073 1 14 . 1 1 18 18 SER HA H 18 4.326 4.326 4.669 -0.343 25754
1074 1 14 . 1 1 18 18 SER CA C 18 55.566 55.566 57.512 -1.946 25754
1075 1 14 . 1 1 18 18 SER CB C 18 61.011 61.011 64.175 -3.164 25754
1076 1 14 . 1 1 18 18 SER H H 18 8.367 8.367 7.972 0.395 25754
1077 1 14 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.515 -0.262 25754
1078 1 14 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.671 3.472 25754
1079 1 14 . 1 1 19 19 ARG CB C 19 28.021 28.021 31.228 -3.207 25754
1080 1 14 . 1 1 19 19 ARG H H 19 8.301 8.301 8.589 -0.288 25754
1081 1 14 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.931 0.086 25754
1082 1 14 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.200 -3.744 25754
1083 1 14 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.275 -2.327 25754
1084 1 14 . 1 1 20 20 ILE H H 20 8.014 8.014 7.586 0.428 25754
1085 1 14 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.925 -0.368 25754
1086 1 14 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.070 -2.523 25754
1087 1 14 . 1 1 21 21 ASN CB C 21 35.964 35.964 39.435 -3.471 25754
1088 1 14 . 1 1 21 21 ASN H H 21 8.383 8.383 8.331 0.052 25754
1089 1 14 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.342 -0.122 25754
1090 1 14 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.877 -3.847 25754
1091 1 14 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.097 -2.289 25754
1092 1 14 . 1 1 22 22 GLN H H 22 8.219 8.219 8.710 -0.491 25754
1093 1 15 . 1 1 2 2 LEU HA H 2 4.819 4.819 5.030 -0.211 25754
1094 1 15 . 1 1 2 2 LEU CA C 2 51.361 51.361 53.459 -2.098 25754
1095 1 15 . 1 1 2 2 LEU CB C 2 40.525 40.525 42.584 -2.059 25754
1096 1 15 . 1 1 2 2 LEU H H 2 8.432 8.432 8.364 0.068 25754
1097 1 15 . 1 1 3 3 SER HA H 3 4.747 4.747 4.756 -0.009 25754
1098 1 15 . 1 1 3 3 SER CA C 3 57.051 57.051 56.441 0.610 25754
1099 1 15 . 1 1 3 3 SER CB C 3 62.680 62.680 64.617 -1.937 25754
1100 1 15 . 1 1 3 3 SER H H 3 8.665 8.665 8.506 0.159 25754
1101 1 15 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.651 -0.168 25754
1102 1 15 . 1 1 4 4 GLN CA C 4 53.175 53.175 55.156 -1.981 25754
1103 1 15 . 1 1 4 4 GLN CB C 4 26.441 26.441 31.720 -5.279 25754
1104 1 15 . 1 1 4 4 GLN H H 4 8.242 8.242 8.544 -0.302 25754
1105 1 15 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.822 -1.680 25754
1106 1 15 . 1 1 5 5 GLY H H 5 7.057 7.057 7.296 -0.239 25754
1107 1 15 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.554 -0.577 25754
1108 1 15 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.407 -3.354 25754
1109 1 15 . 1 1 6 6 VAL CB C 6 31.843 31.843 34.589 -2.746 25754
1110 1 15 . 1 1 6 6 VAL H H 6 8.325 8.325 8.358 -0.033 25754
1111 1 15 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.813 0.218 25754
1112 1 15 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.544 -2.526 25754
1113 1 15 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.861 -3.466 25754
1114 1 15 . 1 1 7 7 GLU H H 7 8.970 8.970 8.494 0.476 25754
1115 1 15 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.921 -0.264 25754
1116 1 15 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.712 -1.285 25754
1117 1 15 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.036 -2.049 25754
1118 1 15 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.947 -0.457 25754
1119 1 15 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.239 -10.461 25754
1120 1 15 . 1 1 9 9 ASP H H 9 7.742 7.742 8.815 -1.073 25754
1121 1 15 . 1 1 10 10 ILE HA H 10 3.980 3.980 3.928 0.052 25754
1122 1 15 . 1 1 10 10 ILE CA C 10 56.694 56.694 61.545 -4.851 25754
1123 1 15 . 1 1 10 10 ILE CB C 10 37.376 37.376 36.194 1.181 25754
1124 1 15 . 1 1 10 10 ILE H H 10 6.912 6.912 7.888 -0.976 25754
1125 1 15 . 1 1 11 11 GLY CA C 11 44.374 44.374 47.039 -2.665 25754
1126 1 15 . 1 1 11 11 GLY H H 11 8.381 8.381 8.057 0.324 25754
1127 1 15 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.073 0.232 25754
1128 1 15 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.049 -4.585 25754
1129 1 15 . 1 1 12 12 GLN CB C 12 26.459 26.459 28.590 -2.131 25754
1130 1 15 . 1 1 12 12 GLN H H 12 8.824 8.824 8.455 0.369 25754
1131 1 15 . 1 1 13 13 THR HA H 13 4.473 4.473 4.994 -0.521 25754
1132 1 15 . 1 1 13 13 THR CA C 13 58.097 58.097 59.912 -1.815 25754
1133 1 15 . 1 1 13 13 THR CB C 13 67.244 67.244 71.792 -4.548 25754
1134 1 15 . 1 1 13 13 THR H H 13 8.353 8.353 7.392 0.961 25754
1135 1 15 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.424 -0.787 25754
1136 1 15 . 1 1 14 14 TYR CA C 14 48.837 48.837 55.951 -7.114 25754
1137 1 15 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.284 -2.438 25754
1138 1 15 . 1 1 14 14 TYR H H 14 8.730 8.730 9.100 -0.370 25754
1139 1 15 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.356 0.170 25754
1140 1 15 . 1 1 15 15 PHE CA C 15 57.055 57.055 58.356 -1.301 25754
1141 1 15 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.456 -2.325 25754
1142 1 15 . 1 1 15 15 PHE H H 15 8.338 8.338 8.552 -0.214 25754
1143 1 15 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.181 0.078 25754
1144 1 15 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.035 -3.510 25754
1145 1 15 . 1 1 16 16 GLU CB C 16 25.722 25.722 29.204 -3.482 25754
1146 1 15 . 1 1 16 16 GLU H H 16 8.965 8.965 8.675 0.290 25754
1147 1 15 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.400 -0.078 25754
1148 1 15 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.229 -3.036 25754
1149 1 15 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.320 -3.855 25754
1150 1 15 . 1 1 17 17 GLU H H 17 8.830 8.830 8.263 0.567 25754
1151 1 15 . 1 1 18 18 SER HA H 18 4.326 4.326 4.068 0.258 25754
1152 1 15 . 1 1 18 18 SER CA C 18 55.566 55.566 59.586 -4.020 25754
1153 1 15 . 1 1 18 18 SER CB C 18 61.011 61.011 63.253 -2.242 25754
1154 1 15 . 1 1 18 18 SER H H 18 8.367 8.367 8.609 -0.242 25754
1155 1 15 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.110 0.143 25754
1156 1 15 . 1 1 19 19 ARG CA C 19 59.143 59.143 56.527 2.616 25754
1157 1 15 . 1 1 19 19 ARG CB C 19 28.021 28.021 29.477 -1.456 25754
1158 1 15 . 1 1 19 19 ARG H H 19 8.301 8.301 8.247 0.054 25754
1159 1 15 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.005 0.012 25754
1160 1 15 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.731 -3.274 25754
1161 1 15 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.934 -1.986 25754
1162 1 15 . 1 1 20 20 ILE H H 20 8.014 8.014 7.985 0.029 25754
1163 1 15 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.791 -0.234 25754
1164 1 15 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.356 -1.809 25754
1165 1 15 . 1 1 21 21 ASN CB C 21 35.964 35.964 39.569 -3.605 25754
1166 1 15 . 1 1 21 21 ASN H H 21 8.383 8.383 8.064 0.319 25754
1167 1 15 . 1 1 22 22 GLN HA H 22 4.220 4.220 3.905 0.315 25754
1168 1 15 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.862 -3.832 25754
1169 1 15 . 1 1 22 22 GLN CB C 22 26.808 26.808 27.431 -0.623 25754
1170 1 15 . 1 1 22 22 GLN H H 22 8.219 8.219 8.701 -0.482 25754
1171 1 16 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.777 0.041 25754
1172 1 16 . 1 1 2 2 LEU CA C 2 51.361 51.361 54.916 -3.555 25754
1173 1 16 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.206 -2.681 25754
1174 1 16 . 1 1 2 2 LEU H H 2 8.432 8.432 8.278 0.154 25754
1175 1 16 . 1 1 3 3 SER HA H 3 4.747 4.747 4.708 0.039 25754
1176 1 16 . 1 1 3 3 SER CA C 3 57.051 57.051 57.145 -0.094 25754
1177 1 16 . 1 1 3 3 SER CB C 3 62.680 62.680 65.605 -2.925 25754
1178 1 16 . 1 1 3 3 SER H H 3 8.665 8.665 7.534 1.131 25754
1179 1 16 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.331 0.152 25754
1180 1 16 . 1 1 4 4 GLN CA C 4 53.175 53.175 56.860 -3.685 25754
1181 1 16 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.168 -2.727 25754
1182 1 16 . 1 1 4 4 GLN H H 4 8.242 8.242 8.570 -0.328 25754
1183 1 16 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.850 -1.708 25754
1184 1 16 . 1 1 5 5 GLY H H 5 7.057 7.057 7.813 -0.756 25754
1185 1 16 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.356 -0.379 25754
1186 1 16 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.450 -4.398 25754
1187 1 16 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.606 -0.763 25754
1188 1 16 . 1 1 6 6 VAL H H 6 8.325 8.325 8.221 0.104 25754
1189 1 16 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.815 0.216 25754
1190 1 16 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.441 -2.424 25754
1191 1 16 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.645 -3.250 25754
1192 1 16 . 1 1 7 7 GLU H H 7 8.970 8.970 8.180 0.790 25754
1193 1 16 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.939 -0.282 25754
1194 1 16 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.616 -1.189 25754
1195 1 16 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.414 -1.427 25754
1196 1 16 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.478 0.012 25754
1197 1 16 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.428 -8.650 25754
1198 1 16 . 1 1 9 9 ASP H H 9 7.742 7.742 8.184 -0.442 25754
1199 1 16 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.367 -0.387 25754
1200 1 16 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.576 -2.882 25754
1201 1 16 . 1 1 10 10 ILE CB C 10 37.376 37.376 40.044 -2.668 25754
1202 1 16 . 1 1 10 10 ILE H H 10 6.912 6.912 7.398 -0.486 25754
1203 1 16 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.761 -2.387 25754
1204 1 16 . 1 1 11 11 GLY H H 11 8.381 8.381 8.546 -0.165 25754
1205 1 16 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.525 -0.220 25754
1206 1 16 . 1 1 12 12 GLN CA C 12 52.464 52.464 54.529 -2.065 25754
1207 1 16 . 1 1 12 12 GLN CB C 12 26.459 26.459 31.024 -4.565 25754
1208 1 16 . 1 1 12 12 GLN H H 12 8.824 8.824 7.765 1.059 25754
1209 1 16 . 1 1 13 13 THR HA H 13 4.473 4.473 4.048 0.425 25754
1210 1 16 . 1 1 13 13 THR CA C 13 58.097 58.097 63.157 -5.060 25754
1211 1 16 . 1 1 13 13 THR CB C 13 67.244 67.244 68.905 -1.661 25754
1212 1 16 . 1 1 13 13 THR H H 13 8.353 8.353 8.179 0.174 25754
1213 1 16 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.228 -0.591 25754
1214 1 16 . 1 1 14 14 TYR CA C 14 48.837 48.837 57.987 -9.150 25754
1215 1 16 . 1 1 14 14 TYR CB C 14 38.846 38.846 40.759 -1.913 25754
1216 1 16 . 1 1 14 14 TYR H H 14 8.730 8.730 8.525 0.205 25754
1217 1 16 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.827 -0.301 25754
1218 1 16 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.786 0.269 25754
1219 1 16 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.377 -6.246 25754
1220 1 16 . 1 1 15 15 PHE H H 15 8.338 8.338 8.126 0.212 25754
1221 1 16 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.231 0.028 25754
1222 1 16 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.876 -3.351 25754
1223 1 16 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.007 -2.285 25754
1224 1 16 . 1 1 16 16 GLU H H 16 8.965 8.965 8.778 0.187 25754
1225 1 16 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.333 -0.011 25754
1226 1 16 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.367 -4.175 25754
1227 1 16 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.328 -3.864 25754
1228 1 16 . 1 1 17 17 GLU H H 17 8.830 8.830 8.291 0.539 25754
1229 1 16 . 1 1 18 18 SER HA H 18 4.326 4.326 4.646 -0.320 25754
1230 1 16 . 1 1 18 18 SER CA C 18 55.566 55.566 57.980 -2.414 25754
1231 1 16 . 1 1 18 18 SER CB C 18 61.011 61.011 64.827 -3.816 25754
1232 1 16 . 1 1 18 18 SER H H 18 8.367 8.367 7.991 0.376 25754
1233 1 16 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.619 -0.366 25754
1234 1 16 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.422 3.721 25754
1235 1 16 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.435 -2.414 25754
1236 1 16 . 1 1 19 19 ARG H H 19 8.301 8.301 8.419 -0.118 25754
1237 1 16 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.023 -0.006 25754
1238 1 16 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.346 -3.889 25754
1239 1 16 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.326 -2.378 25754
1240 1 16 . 1 1 20 20 ILE H H 20 8.014 8.014 8.214 -0.200 25754
1241 1 16 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.853 -0.296 25754
1242 1 16 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.308 -1.761 25754
1243 1 16 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.118 -4.154 25754
1244 1 16 . 1 1 21 21 ASN H H 21 8.383 8.383 8.408 -0.025 25754
1245 1 16 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.565 -0.345 25754
1246 1 16 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.690 -2.660 25754
1247 1 16 . 1 1 22 22 GLN CB C 22 26.808 26.808 30.032 -3.224 25754
1248 1 16 . 1 1 22 22 GLN H H 22 8.219 8.219 8.471 -0.252 25754
1249 1 17 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.833 -0.014 25754
1250 1 17 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.327 -3.966 25754
1251 1 17 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.652 -4.127 25754
1252 1 17 . 1 1 2 2 LEU H H 2 8.432 8.432 8.889 -0.457 25754
1253 1 17 . 1 1 3 3 SER HA H 3 4.747 4.747 4.764 -0.017 25754
1254 1 17 . 1 1 3 3 SER CA C 3 57.051 57.051 56.930 0.121 25754
1255 1 17 . 1 1 3 3 SER CB C 3 62.680 62.680 66.482 -3.802 25754
1256 1 17 . 1 1 3 3 SER H H 3 8.665 8.665 8.189 0.476 25754
1257 1 17 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.410 0.073 25754
1258 1 17 . 1 1 4 4 GLN CA C 4 53.175 53.175 56.998 -3.822 25754
1259 1 17 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.213 -2.772 25754
1260 1 17 . 1 1 4 4 GLN H H 4 8.242 8.242 8.714 -0.472 25754
1261 1 17 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.785 -1.643 25754
1262 1 17 . 1 1 5 5 GLY H H 5 7.057 7.057 7.758 -0.701 25754
1263 1 17 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.102 -0.125 25754
1264 1 17 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.050 -3.998 25754
1265 1 17 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.919 -1.075 25754
1266 1 17 . 1 1 6 6 VAL H H 6 8.325 8.325 8.130 0.195 25754
1267 1 17 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.878 0.153 25754
1268 1 17 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.705 -2.688 25754
1269 1 17 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.702 -4.307 25754
1270 1 17 . 1 1 7 7 GLU H H 7 8.970 8.970 8.099 0.871 25754
1271 1 17 . 1 1 8 8 PRO HA H 8 3.657 3.657 4.193 -0.536 25754
1272 1 17 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.334 -0.907 25754
1273 1 17 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.282 -1.295 25754
1274 1 17 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.460 0.030 25754
1275 1 17 . 1 1 9 9 ASP CB C 9 32.778 32.778 41.324 -8.546 25754
1276 1 17 . 1 1 9 9 ASP H H 9 7.742 7.742 8.473 -0.731 25754
1277 1 17 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.543 -0.563 25754
1278 1 17 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.197 -2.503 25754
1279 1 17 . 1 1 10 10 ILE CB C 10 37.376 37.376 40.405 -3.029 25754
1280 1 17 . 1 1 10 10 ILE H H 10 6.912 6.912 7.363 -0.451 25754
1281 1 17 . 1 1 11 11 GLY CA C 11 44.374 44.374 45.404 -1.030 25754
1282 1 17 . 1 1 11 11 GLY H H 11 8.381 8.381 8.252 0.129 25754
1283 1 17 . 1 1 12 12 GLN HA H 12 4.305 4.305 3.944 0.361 25754
1284 1 17 . 1 1 12 12 GLN CA C 12 52.464 52.464 56.574 -4.110 25754
1285 1 17 . 1 1 12 12 GLN CB C 12 26.459 26.459 27.820 -1.361 25754
1286 1 17 . 1 1 12 12 GLN H H 12 8.824 8.824 8.542 0.282 25754
1287 1 17 . 1 1 13 13 THR HA H 13 4.473 4.473 4.015 0.458 25754
1288 1 17 . 1 1 13 13 THR CA C 13 58.097 58.097 61.650 -3.553 25754
1289 1 17 . 1 1 13 13 THR CB C 13 67.244 67.244 68.774 -1.530 25754
1290 1 17 . 1 1 13 13 THR H H 13 8.353 8.353 7.769 0.584 25754
1291 1 17 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.335 -0.698 25754
1292 1 17 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.352 -7.515 25754
1293 1 17 . 1 1 14 14 TYR CB C 14 38.846 38.846 40.862 -2.016 25754
1294 1 17 . 1 1 14 14 TYR H H 14 8.730 8.730 8.857 -0.127 25754
1295 1 17 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.515 0.011 25754
1296 1 17 . 1 1 15 15 PHE CA C 15 57.055 57.055 59.253 -2.198 25754
1297 1 17 . 1 1 15 15 PHE CB C 15 37.131 37.131 40.124 -2.994 25754
1298 1 17 . 1 1 15 15 PHE H H 15 8.338 8.338 8.997 -0.659 25754
1299 1 17 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.226 0.033 25754
1300 1 17 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.550 -3.025 25754
1301 1 17 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.679 -2.957 25754
1302 1 17 . 1 1 16 16 GLU H H 16 8.965 8.965 8.601 0.364 25754
1303 1 17 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.328 -0.006 25754
1304 1 17 . 1 1 17 17 GLU CA C 17 53.193 53.193 56.707 -3.514 25754
1305 1 17 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.538 -4.073 25754
1306 1 17 . 1 1 17 17 GLU H H 17 8.830 8.830 7.994 0.836 25754
1307 1 17 . 1 1 18 18 SER HA H 18 4.326 4.326 4.267 0.059 25754
1308 1 17 . 1 1 18 18 SER CA C 18 55.566 55.566 59.306 -3.740 25754
1309 1 17 . 1 1 18 18 SER CB C 18 61.011 61.011 63.549 -2.538 25754
1310 1 17 . 1 1 18 18 SER H H 18 8.367 8.367 8.539 -0.172 25754
1311 1 17 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.548 -0.295 25754
1312 1 17 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.370 3.773 25754
1313 1 17 . 1 1 19 19 ARG CB C 19 28.021 28.021 30.357 -2.336 25754
1314 1 17 . 1 1 19 19 ARG H H 19 8.301 8.301 8.510 -0.209 25754
1315 1 17 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.998 0.019 25754
1316 1 17 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.537 -4.080 25754
1317 1 17 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.204 -2.256 25754
1318 1 17 . 1 1 20 20 ILE H H 20 8.014 8.014 7.696 0.318 25754
1319 1 17 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.916 -0.359 25754
1320 1 17 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.730 -2.183 25754
1321 1 17 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.168 -4.204 25754
1322 1 17 . 1 1 21 21 ASN H H 21 8.383 8.383 8.516 -0.133 25754
1323 1 17 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.734 -0.514 25754
1324 1 17 . 1 1 22 22 GLN CA C 22 53.030 53.030 54.992 -1.962 25754
1325 1 17 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.989 -3.181 25754
1326 1 17 . 1 1 22 22 GLN H H 22 8.219 8.219 8.857 -0.638 25754
1327 1 18 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.657 0.162 25754
1328 1 18 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.234 -3.873 25754
1329 1 18 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.120 -2.595 25754
1330 1 18 . 1 1 2 2 LEU H H 2 8.432 8.432 8.542 -0.110 25754
1331 1 18 . 1 1 3 3 SER HA H 3 4.747 4.747 4.634 0.113 25754
1332 1 18 . 1 1 3 3 SER CA C 3 57.051 57.051 57.074 -0.023 25754
1333 1 18 . 1 1 3 3 SER CB C 3 62.680 62.680 66.352 -3.672 25754
1334 1 18 . 1 1 3 3 SER H H 3 8.665 8.665 7.476 1.189 25754
1335 1 18 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.146 0.337 25754
1336 1 18 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.767 -4.592 25754
1337 1 18 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.742 -3.301 25754
1338 1 18 . 1 1 4 4 GLN H H 4 8.242 8.242 8.808 -0.566 25754
1339 1 18 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.727 -1.585 25754
1340 1 18 . 1 1 5 5 GLY H H 5 7.057 7.057 7.616 -0.559 25754
1341 1 18 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.339 -0.362 25754
1342 1 18 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.751 -3.699 25754
1343 1 18 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.928 -1.085 25754
1344 1 18 . 1 1 6 6 VAL H H 6 8.325 8.325 7.998 0.327 25754
1345 1 18 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.824 0.207 25754
1346 1 18 . 1 1 7 7 GLU CA C 7 50.017 50.017 53.442 -3.425 25754
1347 1 18 . 1 1 7 7 GLU CB C 7 26.395 26.395 29.828 -3.433 25754
1348 1 18 . 1 1 7 7 GLU H H 7 8.970 8.970 8.518 0.452 25754
1349 1 18 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.881 -0.224 25754
1350 1 18 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.730 -1.304 25754
1351 1 18 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.099 -2.112 25754
1352 1 18 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.633 -0.143 25754
1353 1 18 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.907 -10.129 25754
1354 1 18 . 1 1 9 9 ASP H H 9 7.742 7.742 8.511 -0.769 25754
1355 1 18 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.358 -0.378 25754
1356 1 18 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.262 -2.568 25754
1357 1 18 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.116 -0.740 25754
1358 1 18 . 1 1 10 10 ILE H H 10 6.912 6.912 7.489 -0.577 25754
1359 1 18 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.975 -2.601 25754
1360 1 18 . 1 1 11 11 GLY H H 11 8.381 8.381 8.732 -0.351 25754
1361 1 18 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.488 -0.183 25754
1362 1 18 . 1 1 12 12 GLN CA C 12 52.464 52.464 55.575 -3.111 25754
1363 1 18 . 1 1 12 12 GLN CB C 12 26.459 26.459 30.775 -4.316 25754
1364 1 18 . 1 1 12 12 GLN H H 12 8.824 8.824 7.947 0.877 25754
1365 1 18 . 1 1 13 13 THR HA H 13 4.473 4.473 4.872 -0.399 25754
1366 1 18 . 1 1 13 13 THR CA C 13 58.097 58.097 59.892 -1.796 25754
1367 1 18 . 1 1 13 13 THR CB C 13 67.244 67.244 71.356 -4.112 25754
1368 1 18 . 1 1 13 13 THR H H 13 8.353 8.353 7.600 0.753 25754
1369 1 18 . 1 1 14 14 TYR HA H 14 4.637 4.637 4.673 -0.036 25754
1370 1 18 . 1 1 14 14 TYR CA C 14 48.837 48.837 57.766 -8.929 25754
1371 1 18 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.254 -2.408 25754
1372 1 18 . 1 1 14 14 TYR H H 14 8.730 8.730 9.089 -0.359 25754
1373 1 18 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.798 -0.272 25754
1374 1 18 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.154 0.901 25754
1375 1 18 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.381 -6.250 25754
1376 1 18 . 1 1 15 15 PHE H H 15 8.338 8.338 8.012 0.326 25754
1377 1 18 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.124 0.135 25754
1378 1 18 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.409 -3.884 25754
1379 1 18 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.987 -3.265 25754
1380 1 18 . 1 1 16 16 GLU H H 16 8.965 8.965 8.890 0.075 25754
1381 1 18 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.195 0.127 25754
1382 1 18 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.954 -4.761 25754
1383 1 18 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.806 -3.341 25754
1384 1 18 . 1 1 17 17 GLU H H 17 8.830 8.830 8.388 0.442 25754
1385 1 18 . 1 1 18 18 SER HA H 18 4.326 4.326 4.337 -0.011 25754
1386 1 18 . 1 1 18 18 SER CA C 18 55.566 55.566 58.824 -3.258 25754
1387 1 18 . 1 1 18 18 SER CB C 18 61.011 61.011 61.856 -0.845 25754
1388 1 18 . 1 1 18 18 SER H H 18 8.367 8.367 8.134 0.233 25754
1389 1 18 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.218 0.035 25754
1390 1 18 . 1 1 19 19 ARG CA C 19 59.143 59.143 56.309 2.834 25754
1391 1 18 . 1 1 19 19 ARG CB C 19 28.021 28.021 28.623 -0.602 25754
1392 1 18 . 1 1 19 19 ARG H H 19 8.301 8.301 7.955 0.346 25754
1393 1 18 . 1 1 20 20 ILE HA H 20 4.017 4.017 4.299 -0.282 25754
1394 1 18 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.101 -2.644 25754
1395 1 18 . 1 1 20 20 ILE CB C 20 35.948 35.948 39.123 -3.175 25754
1396 1 18 . 1 1 20 20 ILE H H 20 8.014 8.014 8.109 -0.095 25754
1397 1 18 . 1 1 21 21 ASN HA H 21 4.557 4.557 5.014 -0.457 25754
1398 1 18 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.845 -2.298 25754
1399 1 18 . 1 1 21 21 ASN CB C 21 35.964 35.964 40.973 -5.009 25754
1400 1 18 . 1 1 21 21 ASN H H 21 8.383 8.383 8.508 -0.125 25754
1401 1 18 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.614 -0.394 25754
1402 1 18 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.946 -2.916 25754
1403 1 18 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.851 -3.043 25754
1404 1 18 . 1 1 22 22 GLN H H 22 8.219 8.219 8.712 -0.493 25754
1405 1 19 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.674 0.145 25754
1406 1 19 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.306 -3.945 25754
1407 1 19 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.727 -3.202 25754
1408 1 19 . 1 1 2 2 LEU H H 2 8.432 8.432 8.057 0.375 25754
1409 1 19 . 1 1 3 3 SER HA H 3 4.747 4.747 4.779 -0.032 25754
1410 1 19 . 1 1 3 3 SER CA C 3 57.051 57.051 56.866 0.185 25754
1411 1 19 . 1 1 3 3 SER CB C 3 62.680 62.680 65.756 -3.076 25754
1412 1 19 . 1 1 3 3 SER H H 3 8.665 8.665 7.415 1.250 25754
1413 1 19 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.439 0.044 25754
1414 1 19 . 1 1 4 4 GLN CA C 4 53.175 53.175 57.093 -3.918 25754
1415 1 19 . 1 1 4 4 GLN CB C 4 26.441 26.441 28.900 -2.459 25754
1416 1 19 . 1 1 4 4 GLN H H 4 8.242 8.242 8.592 -0.350 25754
1417 1 19 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.993 -1.851 25754
1418 1 19 . 1 1 5 5 GLY H H 5 7.057 7.057 7.874 -0.817 25754
1419 1 19 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.342 -0.365 25754
1420 1 19 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.330 -3.278 25754
1421 1 19 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.072 -1.230 25754
1422 1 19 . 1 1 6 6 VAL H H 6 8.325 8.325 8.136 0.189 25754
1423 1 19 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.905 0.126 25754
1424 1 19 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.661 -2.644 25754
1425 1 19 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.025 -3.630 25754
1426 1 19 . 1 1 7 7 GLU H H 7 8.970 8.970 8.592 0.378 25754
1427 1 19 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.880 -0.223 25754
1428 1 19 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.741 -1.314 25754
1429 1 19 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.343 -2.356 25754
1430 1 19 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.752 -0.262 25754
1431 1 19 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.860 -10.082 25754
1432 1 19 . 1 1 9 9 ASP H H 9 7.742 7.742 8.300 -0.558 25754
1433 1 19 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.257 -0.277 25754
1434 1 19 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.291 -3.597 25754
1435 1 19 . 1 1 10 10 ILE CB C 10 37.376 37.376 39.761 -2.385 25754
1436 1 19 . 1 1 10 10 ILE H H 10 6.912 6.912 7.497 -0.585 25754
1437 1 19 . 1 1 11 11 GLY CA C 11 44.374 44.374 45.816 -1.442 25754
1438 1 19 . 1 1 11 11 GLY H H 11 8.381 8.381 8.452 -0.071 25754
1439 1 19 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.009 0.296 25754
1440 1 19 . 1 1 12 12 GLN CA C 12 52.464 52.464 57.786 -5.322 25754
1441 1 19 . 1 1 12 12 GLN CB C 12 26.459 26.459 28.603 -2.144 25754
1442 1 19 . 1 1 12 12 GLN H H 12 8.824 8.824 8.741 0.083 25754
1443 1 19 . 1 1 13 13 THR HA H 13 4.473 4.473 4.786 -0.313 25754
1444 1 19 . 1 1 13 13 THR CA C 13 58.097 58.097 60.263 -2.166 25754
1445 1 19 . 1 1 13 13 THR CB C 13 67.244 67.244 71.448 -4.205 25754
1446 1 19 . 1 1 13 13 THR H H 13 8.353 8.353 7.560 0.793 25754
1447 1 19 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.130 -0.493 25754
1448 1 19 . 1 1 14 14 TYR CA C 14 48.837 48.837 58.214 -9.377 25754
1449 1 19 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.499 -2.653 25754
1450 1 19 . 1 1 14 14 TYR H H 14 8.730 8.730 8.892 -0.162 25754
1451 1 19 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.768 -0.241 25754
1452 1 19 . 1 1 15 15 PHE CA C 15 57.055 57.055 56.693 0.362 25754
1453 1 19 . 1 1 15 15 PHE CB C 15 37.131 37.131 43.580 -6.449 25754
1454 1 19 . 1 1 15 15 PHE H H 15 8.338 8.338 8.024 0.314 25754
1455 1 19 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.107 0.152 25754
1456 1 19 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.734 -4.209 25754
1457 1 19 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.758 -3.036 25754
1458 1 19 . 1 1 16 16 GLU H H 16 8.965 8.965 8.892 0.073 25754
1459 1 19 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.482 -0.160 25754
1460 1 19 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.232 -4.039 25754
1461 1 19 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.793 -4.328 25754
1462 1 19 . 1 1 17 17 GLU H H 17 8.830 8.830 8.446 0.384 25754
1463 1 19 . 1 1 18 18 SER HA H 18 4.326 4.326 4.779 -0.453 25754
1464 1 19 . 1 1 18 18 SER CA C 18 55.566 55.566 58.394 -2.828 25754
1465 1 19 . 1 1 18 18 SER CB C 18 61.011 61.011 63.171 -2.160 25754
1466 1 19 . 1 1 18 18 SER H H 18 8.367 8.367 8.398 -0.031 25754
1467 1 19 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.168 0.085 25754
1468 1 19 . 1 1 19 19 ARG CA C 19 59.143 59.143 57.420 1.723 25754
1469 1 19 . 1 1 19 19 ARG CB C 19 28.021 28.021 29.415 -1.394 25754
1470 1 19 . 1 1 19 19 ARG H H 19 8.301 8.301 8.390 -0.089 25754
1471 1 19 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.970 0.047 25754
1472 1 19 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.097 -2.640 25754
1473 1 19 . 1 1 20 20 ILE CB C 20 35.948 35.948 36.585 -0.637 25754
1474 1 19 . 1 1 20 20 ILE H H 20 8.014 8.014 8.017 -0.003 25754
1475 1 19 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.551 0.006 25754
1476 1 19 . 1 1 21 21 ASN CA C 21 50.547 50.547 53.472 -2.925 25754
1477 1 19 . 1 1 21 21 ASN CB C 21 35.964 35.964 38.932 -2.968 25754
1478 1 19 . 1 1 21 21 ASN H H 21 8.383 8.383 7.911 0.472 25754
1479 1 19 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.631 -0.411 25754
1480 1 19 . 1 1 22 22 GLN CA C 22 53.030 53.030 54.782 -1.752 25754
1481 1 19 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.797 -2.989 25754
1482 1 19 . 1 1 22 22 GLN H H 22 8.219 8.219 8.122 0.097 25754
1483 1 20 . 1 1 2 2 LEU HA H 2 4.819 4.819 4.852 -0.033 25754
1484 1 20 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.101 -3.740 25754
1485 1 20 . 1 1 2 2 LEU CB C 2 40.525 40.525 44.501 -3.976 25754
1486 1 20 . 1 1 2 2 LEU H H 2 8.432 8.432 8.111 0.321 25754
1487 1 20 . 1 1 3 3 SER HA H 3 4.747 4.747 4.740 0.007 25754
1488 1 20 . 1 1 3 3 SER CA C 3 57.051 57.051 56.782 0.268 25754
1489 1 20 . 1 1 3 3 SER CB C 3 62.680 62.680 66.525 -3.845 25754
1490 1 20 . 1 1 3 3 SER H H 3 8.665 8.665 8.007 0.658 25754
1491 1 20 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.439 0.044 25754
1492 1 20 . 1 1 4 4 GLN CA C 4 53.175 53.175 55.769 -2.594 25754
1493 1 20 . 1 1 4 4 GLN CB C 4 26.441 26.441 30.570 -4.129 25754
1494 1 20 . 1 1 4 4 GLN H H 4 8.242 8.242 8.653 -0.411 25754
1495 1 20 . 1 1 5 5 GLY CA C 5 43.142 43.142 45.316 -2.174 25754
1496 1 20 . 1 1 5 5 GLY H H 5 7.057 7.057 7.650 -0.593 25754
1497 1 20 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.370 -0.393 25754
1498 1 20 . 1 1 6 6 VAL CA C 6 59.052 59.052 62.704 -3.652 25754
1499 1 20 . 1 1 6 6 VAL CB C 6 31.843 31.843 32.646 -0.803 25754
1500 1 20 . 1 1 6 6 VAL H H 6 8.325 8.325 8.448 -0.123 25754
1501 1 20 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.920 0.111 25754
1502 1 20 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.143 -2.126 25754
1503 1 20 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.810 -4.415 25754
1504 1 20 . 1 1 7 7 GLU H H 7 8.970 8.970 8.330 0.640 25754
1505 1 20 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.887 -0.230 25754
1506 1 20 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.651 -1.224 25754
1507 1 20 . 1 1 8 8 PRO CB C 8 29.987 29.987 32.259 -2.272 25754
1508 1 20 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.829 -0.339 25754
1509 1 20 . 1 1 9 9 ASP CB C 9 32.778 32.778 43.039 -10.261 25754
1510 1 20 . 1 1 9 9 ASP H H 9 7.742 7.742 8.508 -0.766 25754
1511 1 20 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.616 -0.636 25754
1512 1 20 . 1 1 10 10 ILE CA C 10 56.694 56.694 59.704 -3.010 25754
1513 1 20 . 1 1 10 10 ILE CB C 10 37.376 37.376 41.534 -4.158 25754
1514 1 20 . 1 1 10 10 ILE H H 10 6.912 6.912 7.965 -1.053 25754
1515 1 20 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.827 -2.453 25754
1516 1 20 . 1 1 11 11 GLY H H 11 8.381 8.381 8.769 -0.388 25754
1517 1 20 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.461 -0.156 25754
1518 1 20 . 1 1 12 12 GLN CA C 12 52.464 52.464 55.634 -3.170 25754
1519 1 20 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.109 -2.650 25754
1520 1 20 . 1 1 12 12 GLN H H 12 8.824 8.824 8.550 0.274 25754
1521 1 20 . 1 1 13 13 THR HA H 13 4.473 4.473 5.003 -0.530 25754
1522 1 20 . 1 1 13 13 THR CA C 13 58.097 58.097 60.231 -2.134 25754
1523 1 20 . 1 1 13 13 THR CB C 13 67.244 67.244 71.765 -4.521 25754
1524 1 20 . 1 1 13 13 THR H H 13 8.353 8.353 7.732 0.621 25754
1525 1 20 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.229 -0.592 25754
1526 1 20 . 1 1 14 14 TYR CA C 14 48.837 48.837 56.708 -7.871 25754
1527 1 20 . 1 1 14 14 TYR CB C 14 38.846 38.846 42.143 -3.297 25754
1528 1 20 . 1 1 14 14 TYR H H 14 8.730 8.730 9.022 -0.292 25754
1529 1 20 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.300 0.226 25754
1530 1 20 . 1 1 15 15 PHE CA C 15 57.055 57.055 59.548 -2.493 25754
1531 1 20 . 1 1 15 15 PHE CB C 15 37.131 37.131 39.267 -2.136 25754
1532 1 20 . 1 1 15 15 PHE H H 15 8.338 8.338 9.033 -0.695 25754
1533 1 20 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.007 0.252 25754
1534 1 20 . 1 1 16 16 GLU CA C 16 53.525 53.525 57.402 -3.877 25754
1535 1 20 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.956 -3.234 25754
1536 1 20 . 1 1 16 16 GLU H H 16 8.965 8.965 8.577 0.388 25754
1537 1 20 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.231 0.091 25754
1538 1 20 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.872 -4.679 25754
1539 1 20 . 1 1 17 17 GLU CB C 17 26.465 26.465 29.733 -3.268 25754
1540 1 20 . 1 1 17 17 GLU H H 17 8.830 8.830 8.213 0.617 25754
1541 1 20 . 1 1 18 18 SER HA H 18 4.326 4.326 4.367 -0.041 25754
1542 1 20 . 1 1 18 18 SER CA C 18 55.566 55.566 59.020 -3.454 25754
1543 1 20 . 1 1 18 18 SER CB C 18 61.011 61.011 62.674 -1.663 25754
1544 1 20 . 1 1 18 18 SER H H 18 8.367 8.367 8.355 0.012 25754
1545 1 20 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.392 -0.139 25754
1546 1 20 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.273 3.870 25754
1547 1 20 . 1 1 19 19 ARG CB C 19 28.021 28.021 29.252 -1.231 25754
1548 1 20 . 1 1 19 19 ARG H H 19 8.301 8.301 7.863 0.438 25754
1549 1 20 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.868 0.149 25754
1550 1 20 . 1 1 20 20 ILE CA C 20 58.457 58.457 62.403 -3.946 25754
1551 1 20 . 1 1 20 20 ILE CB C 20 35.948 35.948 37.894 -1.946 25754
1552 1 20 . 1 1 20 20 ILE H H 20 8.014 8.014 7.540 0.474 25754
1553 1 20 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.922 -0.365 25754
1554 1 20 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.835 -2.288 25754
1555 1 20 . 1 1 21 21 ASN CB C 21 35.964 35.964 39.401 -3.437 25754
1556 1 20 . 1 1 21 21 ASN H H 21 8.383 8.383 8.373 0.011 25754
1557 1 20 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.611 -0.391 25754
1558 1 20 . 1 1 22 22 GLN CA C 22 53.030 53.030 55.726 -2.696 25754
1559 1 20 . 1 1 22 22 GLN CB C 22 26.808 26.808 30.714 -3.906 25754
1560 1 20 . 1 1 22 22 GLN H H 22 8.219 8.219 8.599 -0.380 25754
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 25754
2 1 1 "Average Difference" HA 23 0.269 0.135 0.238 25754
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25754
4 1 1 "Average Difference" CA 20 3.514 2.608 2.417 25754
5 1 1 "Average Difference" CB 19 4.099 3.503 2.187 25754
6 1 1 "Average Difference" HN 20 0.568 -0.005 0.583 25754
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25754
8 1 2 "Average Difference" HA 23 0.249 0.092 0.237 25754
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25754
10 1 2 "Average Difference" CA 20 3.563 2.626 2.471 25754
11 1 2 "Average Difference" CB 19 3.891 3.168 2.321 25754
12 1 2 "Average Difference" HN 20 0.590 0.010 0.605 25754
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25754
14 1 3 "Average Difference" HA 23 0.225 0.116 0.197 25754
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25754
16 1 3 "Average Difference" CA 20 3.592 2.608 2.534 25754
17 1 3 "Average Difference" CB 19 3.893 3.315 2.097 25754
18 1 3 "Average Difference" HN 20 0.538 -0.064 0.548 25754
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25754
20 1 4 "Average Difference" HA 23 0.239 0.135 0.202 25754
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25754
22 1 4 "Average Difference" CA 20 3.407 2.547 2.322 25754
23 1 4 "Average Difference" CB 19 4.006 3.388 2.196 25754
24 1 4 "Average Difference" HN 20 0.522 -0.005 0.535 25754
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25754
26 1 5 "Average Difference" HA 23 0.243 0.095 0.229 25754
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25754
28 1 5 "Average Difference" CA 20 3.580 2.640 2.481 25754
29 1 5 "Average Difference" CB 19 3.651 3.189 1.826 25754
30 1 5 "Average Difference" HN 20 0.598 -0.086 0.608 25754
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25754
32 1 6 "Average Difference" HA 23 0.196 0.069 0.188 25754
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25754
34 1 6 "Average Difference" CA 20 3.771 2.792 2.602 25754
35 1 6 "Average Difference" CB 19 3.519 2.960 1.954 25754
36 1 6 "Average Difference" HN 20 0.550 -0.069 0.560 25754
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25754
38 1 7 "Average Difference" HA 23 0.200 0.041 0.201 25754
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25754
40 1 7 "Average Difference" CA 20 3.857 2.980 2.513 25754
41 1 7 "Average Difference" CB 19 3.760 3.268 1.912 25754
42 1 7 "Average Difference" HN 20 0.508 -0.138 0.502 25754
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25754
44 1 8 "Average Difference" HA 23 0.260 0.157 0.213 25754
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25754
46 1 8 "Average Difference" CA 20 3.748 2.755 2.607 25754
47 1 8 "Average Difference" CB 19 3.982 3.448 2.046 25754
48 1 8 "Average Difference" HN 20 0.557 -0.087 0.564 25754
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25754
50 1 9 "Average Difference" HA 23 0.258 0.105 0.241 25754
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25754
52 1 9 "Average Difference" CA 20 3.440 2.688 2.202 25754
53 1 9 "Average Difference" CB 19 3.707 3.121 2.056 25754
54 1 9 "Average Difference" HN 20 0.549 0.008 0.563 25754
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25754
56 1 10 "Average Difference" HA 23 0.251 0.115 0.228 25754
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25754
58 1 10 "Average Difference" CA 20 3.379 2.665 2.131 25754
59 1 10 "Average Difference" CB 19 3.724 3.154 2.035 25754
60 1 10 "Average Difference" HN 20 0.534 0.096 0.539 25754
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25754
62 1 11 "Average Difference" HA 23 0.255 0.074 0.249 25754
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25754
64 1 11 "Average Difference" CA 20 3.442 2.679 2.218 25754
65 1 11 "Average Difference" CB 19 3.597 3.174 1.738 25754
66 1 11 "Average Difference" HN 20 0.424 0.015 0.435 25754
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25754
68 1 12 "Average Difference" HA 23 0.252 0.111 0.231 25754
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25754
70 1 12 "Average Difference" CA 20 3.698 2.769 2.515 25754
71 1 12 "Average Difference" CB 19 3.973 3.445 2.033 25754
72 1 12 "Average Difference" HN 20 0.527 -0.055 0.537 25754
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25754
74 1 13 "Average Difference" HA 23 0.246 0.074 0.240 25754
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25754
76 1 13 "Average Difference" CA 20 3.522 2.670 2.357 25754
77 1 13 "Average Difference" CB 19 3.548 3.016 1.919 25754
78 1 13 "Average Difference" HN 20 0.407 0.025 0.417 25754
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25754
80 1 14 "Average Difference" HA 23 0.266 0.086 0.257 25754
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25754
82 1 14 "Average Difference" CA 20 3.490 2.774 2.173 25754
83 1 14 "Average Difference" CB 19 3.665 3.232 1.777 25754
84 1 14 "Average Difference" HN 20 0.450 -0.027 0.461 25754
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25754
86 1 15 "Average Difference" HA 23 0.297 0.066 0.296 25754
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25754
88 1 15 "Average Difference" CA 20 3.250 2.576 2.034 25754
89 1 15 "Average Difference" CB 19 3.688 2.921 2.313 25754
90 1 15 "Average Difference" HN 20 0.483 0.016 0.495 25754
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25754
92 1 16 "Average Difference" HA 23 0.265 0.131 0.236 25754
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25754
94 1 16 "Average Difference" CA 20 3.585 2.643 2.486 25754
95 1 16 "Average Difference" CB 19 3.688 3.243 1.805 25754
96 1 16 "Average Difference" HN 20 0.495 -0.108 0.496 25754
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25754
98 1 17 "Average Difference" HA 23 0.308 0.123 0.289 25754
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25754
100 1 17 "Average Difference" CA 20 3.393 2.627 2.203 25754
101 1 17 "Average Difference" CB 19 3.480 3.074 1.677 25754
102 1 17 "Average Difference" HN 20 0.500 0.035 0.512 25754
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25754
104 1 18 "Average Difference" HA 23 0.247 0.084 0.238 25754
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25754
106 1 18 "Average Difference" CA 20 3.533 2.677 2.366 25754
107 1 18 "Average Difference" CB 19 3.970 3.339 2.207 25754
108 1 18 "Average Difference" HN 20 0.531 -0.051 0.542 25754
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25754
110 1 19 "Average Difference" HA 23 0.243 0.119 0.216 25754
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25754
112 1 19 "Average Difference" CA 20 3.560 2.749 2.322 25754
113 1 19 "Average Difference" CB 19 3.818 3.231 2.090 25754
114 1 19 "Average Difference" HN 20 0.474 -0.087 0.478 25754
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25754
116 1 20 "Average Difference" HA 23 0.290 0.148 0.255 25754
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25754
118 1 20 "Average Difference" CA 20 3.425 2.672 2.198 25754
119 1 20 "Average Difference" CB 19 3.938 3.429 1.990 25754
120 1 20 "Average Difference" HN 20 0.522 0.012 0.535 25754
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 25754
_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 LEU HA H 2 4.819 4.819 4.736 0.083 25754
2 1 . 1 1 2 2 LEU CA C 2 51.361 51.361 55.045 -3.684 25754
3 1 . 1 1 2 2 LEU CB C 2 40.525 40.525 43.796 -3.271 25754
4 1 . 1 1 2 2 LEU H H 2 8.432 8.432 8.378 0.054 25754
5 1 . 1 1 3 3 SER HA H 3 4.747 4.747 4.745 0.002 25754
6 1 . 1 1 3 3 SER CA C 3 57.051 57.051 56.902 0.148 25754
7 1 . 1 1 3 3 SER CB C 3 62.680 62.680 65.830 -3.150 25754
8 1 . 1 1 3 3 SER H H 3 8.665 8.665 7.823 0.842 25754
9 1 . 1 1 4 4 GLN HA H 4 4.483 4.483 4.355 0.128 25754
10 1 . 1 1 4 4 GLN CA C 4 53.175 53.175 56.798 -3.623 25754
11 1 . 1 1 4 4 GLN CB C 4 26.441 26.441 29.754 -3.313 25754
12 1 . 1 1 4 4 GLN H H 4 8.242 8.242 8.674 -0.432 25754
13 1 . 1 1 5 5 GLY CA C 5 43.142 43.142 44.882 -1.740 25754
14 1 . 1 1 5 5 GLY H H 5 7.057 7.057 7.551 -0.494 25754
15 1 . 1 1 6 6 VAL HA H 6 3.977 3.977 4.271 -0.294 25754
16 1 . 1 1 6 6 VAL CA C 6 59.052 59.052 63.049 -3.997 25754
17 1 . 1 1 6 6 VAL CB C 6 31.843 31.843 33.059 -1.216 25754
18 1 . 1 1 6 6 VAL H H 6 8.325 8.325 8.290 0.035 25754
19 1 . 1 1 7 7 GLU HA H 7 5.031 5.031 4.885 0.146 25754
20 1 . 1 1 7 7 GLU CA C 7 50.017 50.017 52.599 -2.582 25754
21 1 . 1 1 7 7 GLU CB C 7 26.395 26.395 30.393 -3.998 25754
22 1 . 1 1 7 7 GLU H H 7 8.970 8.970 8.367 0.603 25754
23 1 . 1 1 8 8 PRO HA H 8 3.657 3.657 3.965 -0.308 25754
24 1 . 1 1 8 8 PRO CA C 8 61.427 61.427 62.685 -1.258 25754
25 1 . 1 1 8 8 PRO CB C 8 29.987 29.987 31.802 -1.815 25754
26 1 . 1 1 9 9 ASP HA H 9 4.490 4.490 4.647 -0.157 25754
27 1 . 1 1 9 9 ASP CB C 9 32.778 32.778 42.369 -9.591 25754
28 1 . 1 1 9 9 ASP H H 9 7.742 7.742 8.455 -0.713 25754
29 1 . 1 1 10 10 ILE HA H 10 3.980 3.980 4.267 -0.287 25754
30 1 . 1 1 10 10 ILE CA C 10 56.694 56.694 60.155 -3.461 25754
31 1 . 1 1 10 10 ILE CB C 10 37.376 37.376 38.760 -1.384 25754
32 1 . 1 1 10 10 ILE H H 10 6.912 6.912 7.703 -0.791 25754
33 1 . 1 1 11 11 GLY CA C 11 44.374 44.374 46.656 -2.282 25754
34 1 . 1 1 11 11 GLY H H 11 8.381 8.381 8.461 -0.080 25754
35 1 . 1 1 12 12 GLN HA H 12 4.305 4.305 4.259 0.046 25754
36 1 . 1 1 12 12 GLN CA C 12 52.464 52.464 56.586 -4.122 25754
37 1 . 1 1 12 12 GLN CB C 12 26.459 26.459 29.445 -2.986 25754
38 1 . 1 1 12 12 GLN H H 12 8.824 8.824 8.359 0.465 25754
39 1 . 1 1 13 13 THR HA H 13 4.473 4.473 4.736 -0.263 25754
40 1 . 1 1 13 13 THR CA C 13 58.097 58.097 60.244 -2.147 25754
41 1 . 1 1 13 13 THR CB C 13 67.244 67.244 71.393 -4.149 25754
42 1 . 1 1 13 13 THR H H 13 8.353 8.353 7.503 0.850 25754
43 1 . 1 1 14 14 TYR HA H 14 4.637 4.637 5.194 -0.557 25754
44 1 . 1 1 14 14 TYR CA C 14 48.837 48.837 57.474 -8.637 25754
45 1 . 1 1 14 14 TYR CB C 14 38.846 38.846 41.388 -2.542 25754
46 1 . 1 1 14 14 TYR H H 14 8.730 8.730 9.056 -0.326 25754
47 1 . 1 1 15 15 PHE HA H 15 4.526 4.526 4.626 -0.100 25754
48 1 . 1 1 15 15 PHE CA C 15 57.055 57.055 57.658 -0.603 25754
49 1 . 1 1 15 15 PHE CB C 15 37.131 37.131 41.883 -4.752 25754
50 1 . 1 1 15 15 PHE H H 15 8.338 8.338 8.246 0.092 25754
51 1 . 1 1 16 16 GLU HA H 16 4.259 4.259 4.183 0.076 25754
52 1 . 1 1 16 16 GLU CA C 16 53.525 53.525 56.821 -3.296 25754
53 1 . 1 1 16 16 GLU CB C 16 25.722 25.722 28.803 -3.081 25754
54 1 . 1 1 16 16 GLU H H 16 8.965 8.965 8.733 0.232 25754
55 1 . 1 1 17 17 GLU HA H 17 4.322 4.322 4.344 -0.022 25754
56 1 . 1 1 17 17 GLU CA C 17 53.193 53.193 57.054 -3.861 25754
57 1 . 1 1 17 17 GLU CB C 17 26.465 26.465 30.284 -3.819 25754
58 1 . 1 1 17 17 GLU H H 17 8.830 8.830 8.301 0.529 25754
59 1 . 1 1 18 18 SER HA H 18 4.326 4.326 4.421 -0.095 25754
60 1 . 1 1 18 18 SER CA C 18 55.566 55.566 58.723 -3.157 25754
61 1 . 1 1 18 18 SER CB C 18 61.011 61.011 63.266 -2.255 25754
62 1 . 1 1 18 18 SER H H 18 8.367 8.367 8.360 0.007 25754
63 1 . 1 1 19 19 ARG HA H 19 4.253 4.253 4.424 -0.171 25754
64 1 . 1 1 19 19 ARG CA C 19 59.143 59.143 55.798 3.345 25754
65 1 . 1 1 19 19 ARG CB C 19 28.021 28.021 29.934 -1.913 25754
66 1 . 1 1 19 19 ARG H H 19 8.301 8.301 8.399 -0.098 25754
67 1 . 1 1 20 20 ILE HA H 20 4.017 4.017 3.975 0.042 25754
68 1 . 1 1 20 20 ILE CA C 20 58.457 58.457 61.872 -3.415 25754
69 1 . 1 1 20 20 ILE CB C 20 35.948 35.948 38.026 -2.078 25754
70 1 . 1 1 20 20 ILE H H 20 8.014 8.014 7.885 0.129 25754
71 1 . 1 1 21 21 ASN HA H 21 4.557 4.557 4.809 -0.252 25754
72 1 . 1 1 21 21 ASN CA C 21 50.547 50.547 52.935 -2.388 25754
73 1 . 1 1 21 21 ASN CB C 21 35.964 35.964 39.421 -3.457 25754
74 1 . 1 1 21 21 ASN H H 21 8.383 8.383 8.404 -0.021 25754
75 1 . 1 1 22 22 GLN HA H 22 4.220 4.220 4.397 -0.177 25754
76 1 . 1 1 22 22 GLN CA C 22 53.030 53.030 56.013 -2.983 25754
77 1 . 1 1 22 22 GLN CB C 22 26.808 26.808 29.425 -2.617 25754
78 1 . 1 1 22 22 GLN H H 22 8.219 8.219 8.539 -0.320 25754
stop_
save_