data_18195
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18195
_Entry.PDB_ID 2LO4
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 18195
_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 25 25 PRO HA H 25 4.291 4.291 4.771 -0.480 18195
2 1 1 . 1 1 25 25 PRO C C 25 175.811 175.811 175.658 0.153 18195
3 1 1 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.779 0.299 18195
4 1 1 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.502 -0.398 18195
5 1 1 . 1 1 26 26 ILE N N 26 120.375 120.375 112.521 7.854 18195
6 1 1 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.994 -1.030 18195
7 1 1 . 1 1 26 26 ILE C C 26 175.801 175.801 175.117 0.684 18195
8 1 1 . 1 1 26 26 ILE CA C 26 60.521 60.521 59.635 0.886 18195
9 1 1 . 1 1 26 26 ILE CB C 26 39.333 39.333 41.462 -2.129 18195
10 1 1 . 1 1 26 26 ILE H H 26 7.899 7.899 8.027 -0.128 18195
11 1 1 . 1 1 27 27 HIS N N 27 125.882 125.882 121.729 4.153 18195
12 1 1 . 1 1 27 27 HIS C C 27 173.582 173.582 172.740 0.842 18195
13 1 1 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.706 -0.703 18195
14 1 1 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.354 -3.847 18195
15 1 1 . 1 1 27 27 HIS H H 27 8.457 8.457 8.660 -0.203 18195
16 1 1 . 1 1 28 28 SER N N 28 116.161 116.161 115.911 0.250 18195
17 1 1 . 1 1 28 28 SER C C 28 173.532 173.532 172.945 0.587 18195
18 1 1 . 1 1 28 28 SER CA C 28 55.642 55.642 56.522 -0.880 18195
19 1 1 . 1 1 28 28 SER CB C 28 65.533 65.533 65.220 0.313 18195
20 1 1 . 1 1 28 28 SER H H 28 8.027 8.027 7.631 0.396 18195
21 1 1 . 1 1 29 29 CYS N N 29 127.479 127.479 125.803 1.676 18195
22 1 1 . 1 1 29 29 CYS CA C 29 56.687 56.687 57.220 -0.533 18195
23 1 1 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.768 4.617 18195
24 1 1 . 1 1 29 29 CYS H H 29 8.947 8.947 8.802 0.145 18195
25 1 1 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.095 0.354 18195
26 1 1 . 1 1 30 30 PRO C C 30 176.651 176.651 177.448 -0.797 18195
27 1 1 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.345 -1.010 18195
28 1 1 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.953 0.471 18195
29 1 1 . 1 1 31 31 LYS N N 31 121.996 121.996 116.590 5.406 18195
30 1 1 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.121 0.231 18195
31 1 1 . 1 1 31 31 LYS C C 31 177.321 177.321 176.909 0.412 18195
32 1 1 . 1 1 31 31 LYS CA C 31 58.621 58.621 58.060 0.561 18195
33 1 1 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.859 0.803 18195
34 1 1 . 1 1 31 31 LYS H H 31 9.303 9.303 8.058 1.245 18195
35 1 1 . 1 1 32 32 CYS N N 32 117.337 117.337 114.808 2.529 18195
36 1 1 . 1 1 32 32 CYS C C 32 177.051 177.051 174.511 2.540 18195
37 1 1 . 1 1 32 32 CYS CA C 32 58.642 58.642 56.614 2.028 18195
38 1 1 . 1 1 32 32 CYS CB C 32 32.802 32.802 28.526 4.276 18195
39 1 1 . 1 1 32 32 CYS H H 32 8.556 8.556 7.804 0.752 18195
40 1 1 . 1 1 33 33 GLY N N 33 113.158 113.158 109.274 3.884 18195
41 1 1 . 1 1 33 33 GLY C C 33 173.711 173.711 173.594 0.117 18195
42 1 1 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.851 0.328 18195
43 1 1 . 1 1 33 33 GLY H H 33 7.967 7.967 8.844 -0.877 18195
44 1 1 . 1 1 34 34 GLU N N 34 125.156 125.156 123.644 1.512 18195
45 1 1 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.119 -0.176 18195
46 1 1 . 1 1 34 34 GLU C C 34 175.334 175.334 177.350 -2.016 18195
47 1 1 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.275 0.773 18195
48 1 1 . 1 1 34 34 GLU CB C 34 30.292 30.292 29.873 0.419 18195
49 1 1 . 1 1 34 34 GLU H H 34 8.654 8.654 8.522 0.132 18195
50 1 1 . 1 1 35 35 VAL N N 35 124.618 124.618 121.777 2.841 18195
51 1 1 . 1 1 35 35 VAL HA H 35 4.166 4.166 3.870 0.296 18195
52 1 1 . 1 1 35 35 VAL CA C 35 62.733 62.733 65.469 -2.736 18195
53 1 1 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.557 -0.242 18195
54 1 1 . 1 1 35 35 VAL H H 35 8.332 8.332 7.704 0.628 18195
55 1 1 . 1 1 36 36 LEU N N 36 108.308 108.308 117.613 -9.305 18195
56 1 1 . 1 1 36 36 LEU CA C 36 50.484 50.484 54.297 -3.813 18195
57 1 1 . 1 1 36 36 LEU CB C 36 41.192 41.192 43.542 -2.350 18195
58 1 1 . 1 1 36 36 LEU H H 36 8.688 8.688 7.769 0.919 18195
59 1 1 . 1 1 37 37 PRO HA H 37 4.390 4.390 5.065 -0.675 18195
60 1 1 . 1 1 37 37 PRO C C 37 176.240 176.240 176.529 -0.289 18195
61 1 1 . 1 1 37 37 PRO CA C 37 64.718 64.718 62.299 2.419 18195
62 1 1 . 1 1 37 37 PRO CB C 37 32.603 32.603 30.442 2.161 18195
63 1 1 . 1 1 38 38 ASP N N 38 111.540 111.540 122.493 -10.953 18195
64 1 1 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.509 -0.237 18195
65 1 1 . 1 1 38 38 ASP C C 38 174.566 174.566 176.210 -1.644 18195
66 1 1 . 1 1 38 38 ASP CA C 38 52.589 52.589 56.414 -3.825 18195
67 1 1 . 1 1 38 38 ASP CB C 38 42.381 42.381 41.139 1.242 18195
68 1 1 . 1 1 38 38 ASP H H 38 7.107 7.107 8.359 -1.252 18195
69 1 1 . 1 1 39 39 ILE N N 39 118.049 118.049 117.860 0.189 18195
70 1 1 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.250 -0.687 18195
71 1 1 . 1 1 39 39 ILE C C 39 176.609 176.609 176.885 -0.276 18195
72 1 1 . 1 1 39 39 ILE CA C 39 63.151 63.151 62.747 0.404 18195
73 1 1 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.915 -1.514 18195
74 1 1 . 1 1 39 39 ILE H H 39 8.096 8.096 7.892 0.204 18195
75 1 1 . 1 1 40 40 ASP N N 40 123.096 123.096 121.155 1.941 18195
76 1 1 . 1 1 40 40 ASP C C 40 179.109 179.109 178.187 0.922 18195
77 1 1 . 1 1 40 40 ASP CA C 40 57.718 57.718 56.482 1.236 18195
78 1 1 . 1 1 40 40 ASP CB C 40 40.549 40.549 41.081 -0.532 18195
79 1 1 . 1 1 40 40 ASP H H 40 7.919 7.919 8.541 -0.622 18195
80 1 1 . 1 1 41 41 THR N N 41 115.411 115.411 117.393 -1.982 18195
81 1 1 . 1 1 41 41 THR HA H 41 3.933 3.933 4.047 -0.114 18195
82 1 1 . 1 1 41 41 THR C C 41 177.991 177.991 176.830 1.161 18195
83 1 1 . 1 1 41 41 THR CA C 41 66.222 66.222 66.485 -0.263 18195
84 1 1 . 1 1 41 41 THR CB C 41 68.200 68.200 69.010 -0.810 18195
85 1 1 . 1 1 41 41 THR H H 41 8.747 8.747 7.793 0.954 18195
86 1 1 . 1 1 42 42 LEU N N 42 124.027 124.027 121.463 2.564 18195
87 1 1 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.223 -0.126 18195
88 1 1 . 1 1 42 42 LEU C C 42 177.171 177.171 178.234 -1.063 18195
89 1 1 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.217 0.839 18195
90 1 1 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.206 0.146 18195
91 1 1 . 1 1 42 42 LEU H H 42 7.957 7.957 8.302 -0.345 18195
92 1 1 . 1 1 43 43 GLN N N 43 117.352 117.352 118.176 -0.824 18195
93 1 1 . 1 1 43 43 GLN HA H 43 4.027 4.027 3.882 0.145 18195
94 1 1 . 1 1 43 43 GLN C C 43 178.656 178.656 178.974 -0.318 18195
95 1 1 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.814 0.475 18195
96 1 1 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.408 -0.314 18195
97 1 1 . 1 1 43 43 GLN H H 43 8.148 8.148 7.591 0.557 18195
98 1 1 . 1 1 44 44 ILE N N 44 118.482 118.482 119.046 -0.564 18195
99 1 1 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.871 -0.084 18195
100 1 1 . 1 1 44 44 ILE C C 44 178.168 178.168 177.820 0.348 18195
101 1 1 . 1 1 44 44 ILE CA C 44 64.302 64.302 63.471 0.831 18195
102 1 1 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.246 1.190 18195
103 1 1 . 1 1 44 44 ILE H H 44 7.423 7.423 7.771 -0.348 18195
104 1 1 . 1 1 45 45 HIS N N 45 119.300 119.300 120.680 -1.380 18195
105 1 1 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.324 -0.127 18195
106 1 1 . 1 1 45 45 HIS C C 45 178.567 178.567 177.994 0.573 18195
107 1 1 . 1 1 45 45 HIS CA C 45 60.199 60.199 59.101 1.098 18195
108 1 1 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.835 -1.646 18195
109 1 1 . 1 1 45 45 HIS H H 45 8.239 8.239 7.943 0.296 18195
110 1 1 . 1 1 46 46 VAL N N 46 116.775 116.775 119.708 -2.933 18195
111 1 1 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.601 0.114 18195
112 1 1 . 1 1 46 46 VAL C C 46 177.814 177.814 177.341 0.473 18195
113 1 1 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.498 1.026 18195
114 1 1 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.083 1.084 18195
115 1 1 . 1 1 46 46 VAL H H 46 9.050 9.050 8.547 0.503 18195
116 1 1 . 1 1 47 47 MET N N 47 117.452 117.452 115.962 1.490 18195
117 1 1 . 1 1 47 47 MET HA H 47 4.173 4.173 4.211 -0.038 18195
118 1 1 . 1 1 47 47 MET C C 47 176.758 176.758 176.959 -0.201 18195
119 1 1 . 1 1 47 47 MET CA C 47 58.225 58.225 58.226 -0.001 18195
120 1 1 . 1 1 47 47 MET CB C 47 32.404 32.404 32.425 -0.021 18195
121 1 1 . 1 1 47 47 MET H H 47 7.371 7.371 7.334 0.037 18195
122 1 1 . 1 1 48 48 ASP N N 48 115.879 115.879 118.447 -2.568 18195
123 1 1 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.729 0.084 18195
124 1 1 . 1 1 48 48 ASP C C 48 174.927 174.927 176.565 -1.638 18195
125 1 1 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.548 -0.468 18195
126 1 1 . 1 1 48 48 ASP CB C 48 42.564 42.564 42.161 0.403 18195
127 1 1 . 1 1 48 48 ASP H H 48 6.887 6.887 7.728 -0.841 18195
128 1 1 . 1 1 49 49 CYS N N 49 124.146 124.146 118.365 5.781 18195
129 1 1 . 1 1 49 49 CYS C C 49 175.518 175.518 174.379 1.139 18195
130 1 1 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.778 2.603 18195
131 1 1 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.031 0.031 18195
132 1 1 . 1 1 49 49 CYS H H 49 7.381 7.381 7.708 -0.327 18195
133 1 1 . 1 1 50 50 ILE N N 50 124.784 124.784 123.510 1.274 18195
134 1 1 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.311 -0.005 18195
135 1 1 . 1 1 50 50 ILE C C 50 175.110 175.110 175.408 -0.298 18195
136 1 1 . 1 1 50 50 ILE CA C 50 61.307 61.307 60.248 1.059 18195
137 1 1 . 1 1 50 50 ILE CB C 50 39.015 39.015 36.922 2.093 18195
138 1 1 . 1 1 50 50 ILE H H 50 8.102 8.102 8.388 -0.286 18195
139 1 2 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.529 -0.238 18195
140 1 2 . 1 1 25 25 PRO C C 25 175.811 175.811 175.420 0.391 18195
141 1 2 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.750 0.328 18195
142 1 2 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.159 -0.055 18195
143 1 2 . 1 1 26 26 ILE N N 26 120.375 120.375 120.540 -0.165 18195
144 1 2 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.339 -0.375 18195
145 1 2 . 1 1 26 26 ILE C C 26 175.801 175.801 175.711 0.090 18195
146 1 2 . 1 1 26 26 ILE CA C 26 60.521 60.521 60.254 0.267 18195
147 1 2 . 1 1 26 26 ILE CB C 26 39.333 39.333 38.926 0.407 18195
148 1 2 . 1 1 26 26 ILE H H 26 7.899 7.899 8.053 -0.154 18195
149 1 2 . 1 1 27 27 HIS N N 27 125.882 125.882 127.087 -1.205 18195
150 1 2 . 1 1 27 27 HIS C C 27 173.582 173.582 173.438 0.144 18195
151 1 2 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.975 -0.972 18195
152 1 2 . 1 1 27 27 HIS CB C 27 29.507 29.507 32.321 -2.813 18195
153 1 2 . 1 1 27 27 HIS H H 27 8.457 8.457 8.607 -0.150 18195
154 1 2 . 1 1 28 28 SER N N 28 116.161 116.161 120.246 -4.085 18195
155 1 2 . 1 1 28 28 SER C C 28 173.532 173.532 172.916 0.616 18195
156 1 2 . 1 1 28 28 SER CA C 28 55.642 55.642 56.810 -1.168 18195
157 1 2 . 1 1 28 28 SER CB C 28 65.533 65.533 66.521 -0.988 18195
158 1 2 . 1 1 28 28 SER H H 28 8.027 8.027 7.892 0.135 18195
159 1 2 . 1 1 29 29 CYS N N 29 127.479 127.479 121.562 5.917 18195
160 1 2 . 1 1 29 29 CYS CA C 29 56.687 56.687 58.438 -1.751 18195
161 1 2 . 1 1 29 29 CYS CB C 29 31.385 31.385 27.260 4.125 18195
162 1 2 . 1 1 29 29 CYS H H 29 8.947 8.947 8.863 0.084 18195
163 1 2 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.142 0.307 18195
164 1 2 . 1 1 30 30 PRO C C 30 176.651 176.651 177.423 -0.772 18195
165 1 2 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.171 -0.837 18195
166 1 2 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.845 0.579 18195
167 1 2 . 1 1 31 31 LYS N N 31 121.996 121.996 115.665 6.331 18195
168 1 2 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.404 -0.052 18195
169 1 2 . 1 1 31 31 LYS C C 31 177.321 177.321 176.984 0.337 18195
170 1 2 . 1 1 31 31 LYS CA C 31 58.621 58.621 56.933 1.688 18195
171 1 2 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.519 1.143 18195
172 1 2 . 1 1 31 31 LYS H H 31 9.303 9.303 8.094 1.209 18195
173 1 2 . 1 1 32 32 CYS N N 32 117.337 117.337 118.584 -1.247 18195
174 1 2 . 1 1 32 32 CYS C C 32 177.051 177.051 175.087 1.964 18195
175 1 2 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.362 1.280 18195
176 1 2 . 1 1 32 32 CYS CB C 32 32.802 32.802 27.566 5.237 18195
177 1 2 . 1 1 32 32 CYS H H 32 8.556 8.556 8.040 0.516 18195
178 1 2 . 1 1 33 33 GLY N N 33 113.158 113.158 110.492 2.666 18195
179 1 2 . 1 1 33 33 GLY C C 33 173.711 173.711 173.719 -0.008 18195
180 1 2 . 1 1 33 33 GLY CA C 33 46.179 46.179 46.646 -0.467 18195
181 1 2 . 1 1 33 33 GLY H H 33 7.967 7.967 7.919 0.048 18195
182 1 2 . 1 1 34 34 GLU N N 34 125.156 125.156 124.700 0.456 18195
183 1 2 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.382 -0.439 18195
184 1 2 . 1 1 34 34 GLU C C 34 175.334 175.334 176.664 -1.330 18195
185 1 2 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.258 0.790 18195
186 1 2 . 1 1 34 34 GLU CB C 34 30.292 30.292 31.003 -0.712 18195
187 1 2 . 1 1 34 34 GLU H H 34 8.654 8.654 8.041 0.613 18195
188 1 2 . 1 1 35 35 VAL N N 35 124.618 124.618 117.992 6.626 18195
189 1 2 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.266 -0.100 18195
190 1 2 . 1 1 35 35 VAL CA C 35 62.733 62.733 62.000 0.733 18195
191 1 2 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.100 0.215 18195
192 1 2 . 1 1 35 35 VAL H H 35 8.332 8.332 7.357 0.975 18195
193 1 2 . 1 1 36 36 LEU N N 36 108.308 108.308 121.638 -13.330 18195
194 1 2 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.469 -2.985 18195
195 1 2 . 1 1 36 36 LEU CB C 36 41.192 41.192 41.089 0.103 18195
196 1 2 . 1 1 36 36 LEU H H 36 8.688 8.688 7.879 0.809 18195
197 1 2 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.463 -0.073 18195
198 1 2 . 1 1 37 37 PRO C C 37 176.240 176.240 176.566 -0.326 18195
199 1 2 . 1 1 37 37 PRO CA C 37 64.718 64.718 63.985 0.733 18195
200 1 2 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.294 0.309 18195
201 1 2 . 1 1 38 38 ASP N N 38 111.540 111.540 115.021 -3.481 18195
202 1 2 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.751 -0.479 18195
203 1 2 . 1 1 38 38 ASP C C 38 174.566 174.566 176.065 -1.499 18195
204 1 2 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.055 -2.466 18195
205 1 2 . 1 1 38 38 ASP CB C 38 42.381 42.381 43.297 -0.916 18195
206 1 2 . 1 1 38 38 ASP H H 38 7.107 7.107 8.275 -1.168 18195
207 1 2 . 1 1 39 39 ILE N N 39 118.049 118.049 116.407 1.642 18195
208 1 2 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.338 -0.775 18195
209 1 2 . 1 1 39 39 ILE C C 39 176.609 176.609 176.710 -0.101 18195
210 1 2 . 1 1 39 39 ILE CA C 39 63.151 63.151 61.702 1.449 18195
211 1 2 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.353 -0.952 18195
212 1 2 . 1 1 39 39 ILE H H 39 8.096 8.096 7.782 0.314 18195
213 1 2 . 1 1 40 40 ASP N N 40 123.096 123.096 123.214 -0.118 18195
214 1 2 . 1 1 40 40 ASP C C 40 179.109 179.109 177.662 1.447 18195
215 1 2 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.265 0.453 18195
216 1 2 . 1 1 40 40 ASP CB C 40 40.549 40.549 39.929 0.620 18195
217 1 2 . 1 1 40 40 ASP H H 40 7.919 7.919 8.387 -0.468 18195
218 1 2 . 1 1 41 41 THR N N 41 115.411 115.411 115.245 0.166 18195
219 1 2 . 1 1 41 41 THR HA H 41 3.933 3.933 4.227 -0.294 18195
220 1 2 . 1 1 41 41 THR C C 41 177.991 177.991 176.327 1.664 18195
221 1 2 . 1 1 41 41 THR CA C 41 66.222 66.222 64.196 2.026 18195
222 1 2 . 1 1 41 41 THR CB C 41 68.200 68.200 68.517 -0.317 18195
223 1 2 . 1 1 41 41 THR H H 41 8.747 8.747 8.209 0.538 18195
224 1 2 . 1 1 42 42 LEU N N 42 124.027 124.027 122.396 1.631 18195
225 1 2 . 1 1 42 42 LEU HA H 42 4.097 4.097 3.781 0.316 18195
226 1 2 . 1 1 42 42 LEU C C 42 177.171 177.171 178.067 -0.896 18195
227 1 2 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.453 0.602 18195
228 1 2 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.306 0.046 18195
229 1 2 . 1 1 42 42 LEU H H 42 7.957 7.957 8.106 -0.149 18195
230 1 2 . 1 1 43 43 GLN N N 43 117.352 117.352 118.215 -0.863 18195
231 1 2 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.077 -0.050 18195
232 1 2 . 1 1 43 43 GLN C C 43 178.656 178.656 178.907 -0.251 18195
233 1 2 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.855 0.434 18195
234 1 2 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.975 -0.881 18195
235 1 2 . 1 1 43 43 GLN H H 43 8.148 8.148 7.454 0.694 18195
236 1 2 . 1 1 44 44 ILE N N 44 118.482 118.482 118.945 -0.463 18195
237 1 2 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.760 0.027 18195
238 1 2 . 1 1 44 44 ILE C C 44 178.168 178.168 177.933 0.235 18195
239 1 2 . 1 1 44 44 ILE CA C 44 64.302 64.302 64.876 -0.574 18195
240 1 2 . 1 1 44 44 ILE CB C 44 38.436 38.436 38.199 0.237 18195
241 1 2 . 1 1 44 44 ILE H H 44 7.423 7.423 7.711 -0.288 18195
242 1 2 . 1 1 45 45 HIS N N 45 119.300 119.300 118.410 0.890 18195
243 1 2 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.431 -0.234 18195
244 1 2 . 1 1 45 45 HIS C C 45 178.567 178.567 177.203 1.364 18195
245 1 2 . 1 1 45 45 HIS CA C 45 60.199 60.199 57.167 3.032 18195
246 1 2 . 1 1 45 45 HIS CB C 45 28.189 28.189 28.617 -0.428 18195
247 1 2 . 1 1 45 45 HIS H H 45 8.239 8.239 7.793 0.446 18195
248 1 2 . 1 1 46 46 VAL N N 46 116.775 116.775 122.294 -5.519 18195
249 1 2 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.731 -0.016 18195
250 1 2 . 1 1 46 46 VAL C C 46 177.814 177.814 177.295 0.519 18195
251 1 2 . 1 1 46 46 VAL CA C 46 66.524 66.524 66.554 -0.030 18195
252 1 2 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.721 0.446 18195
253 1 2 . 1 1 46 46 VAL H H 46 9.050 9.050 7.863 1.187 18195
254 1 2 . 1 1 47 47 MET N N 47 117.452 117.452 115.480 1.972 18195
255 1 2 . 1 1 47 47 MET HA H 47 4.173 4.173 4.228 -0.055 18195
256 1 2 . 1 1 47 47 MET C C 47 176.758 176.758 177.328 -0.570 18195
257 1 2 . 1 1 47 47 MET CA C 47 58.225 58.225 57.096 1.129 18195
258 1 2 . 1 1 47 47 MET CB C 47 32.404 32.404 31.824 0.580 18195
259 1 2 . 1 1 47 47 MET H H 47 7.371 7.371 7.506 -0.135 18195
260 1 2 . 1 1 48 48 ASP N N 48 115.879 115.879 117.076 -1.197 18195
261 1 2 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.679 0.134 18195
262 1 2 . 1 1 48 48 ASP C C 48 174.927 174.927 176.157 -1.230 18195
263 1 2 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.512 -0.432 18195
264 1 2 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.621 0.943 18195
265 1 2 . 1 1 48 48 ASP H H 48 6.887 6.887 8.173 -1.286 18195
266 1 2 . 1 1 49 49 CYS N N 49 124.146 124.146 117.544 6.602 18195
267 1 2 . 1 1 49 49 CYS C C 49 175.518 175.518 174.987 0.531 18195
268 1 2 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.151 3.230 18195
269 1 2 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.028 0.034 18195
270 1 2 . 1 1 49 49 CYS H H 49 7.381 7.381 7.840 -0.459 18195
271 1 2 . 1 1 50 50 ILE N N 50 124.784 124.784 121.585 3.199 18195
272 1 2 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.363 -0.057 18195
273 1 2 . 1 1 50 50 ILE C C 50 175.110 175.110 175.668 -0.558 18195
274 1 2 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.694 1.613 18195
275 1 2 . 1 1 50 50 ILE CB C 50 39.015 39.015 36.266 2.749 18195
276 1 2 . 1 1 50 50 ILE H H 50 8.102 8.102 8.269 -0.167 18195
277 1 3 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.743 -0.452 18195
278 1 3 . 1 1 25 25 PRO C C 25 175.811 175.811 176.380 -0.569 18195
279 1 3 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.784 0.294 18195
280 1 3 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.552 -0.448 18195
281 1 3 . 1 1 26 26 ILE N N 26 120.375 120.375 116.976 3.399 18195
282 1 3 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.374 -0.410 18195
283 1 3 . 1 1 26 26 ILE C C 26 175.801 175.801 174.788 1.013 18195
284 1 3 . 1 1 26 26 ILE CA C 26 60.521 60.521 61.177 -0.656 18195
285 1 3 . 1 1 26 26 ILE CB C 26 39.333 39.333 38.557 0.776 18195
286 1 3 . 1 1 26 26 ILE H H 26 7.899 7.899 8.088 -0.189 18195
287 1 3 . 1 1 27 27 HIS N N 27 125.882 125.882 120.963 4.919 18195
288 1 3 . 1 1 27 27 HIS C C 27 173.582 173.582 173.164 0.418 18195
289 1 3 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.520 -0.517 18195
290 1 3 . 1 1 27 27 HIS CB C 27 29.507 29.507 32.681 -3.174 18195
291 1 3 . 1 1 27 27 HIS H H 27 8.457 8.457 8.420 0.037 18195
292 1 3 . 1 1 28 28 SER N N 28 116.161 116.161 117.981 -1.820 18195
293 1 3 . 1 1 28 28 SER C C 28 173.532 173.532 172.986 0.546 18195
294 1 3 . 1 1 28 28 SER CA C 28 55.642 55.642 55.635 0.007 18195
295 1 3 . 1 1 28 28 SER CB C 28 65.533 65.533 65.045 0.488 18195
296 1 3 . 1 1 28 28 SER H H 28 8.027 8.027 7.671 0.356 18195
297 1 3 . 1 1 29 29 CYS N N 29 127.479 127.479 123.927 3.552 18195
298 1 3 . 1 1 29 29 CYS CA C 29 56.687 56.687 56.610 0.077 18195
299 1 3 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.340 5.045 18195
300 1 3 . 1 1 29 29 CYS H H 29 8.947 8.947 8.842 0.105 18195
301 1 3 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.090 0.359 18195
302 1 3 . 1 1 30 30 PRO C C 30 176.651 176.651 177.464 -0.813 18195
303 1 3 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.174 -0.839 18195
304 1 3 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.959 0.465 18195
305 1 3 . 1 1 31 31 LYS N N 31 121.996 121.996 117.115 4.881 18195
306 1 3 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.162 0.190 18195
307 1 3 . 1 1 31 31 LYS C C 31 177.321 177.321 177.320 0.001 18195
308 1 3 . 1 1 31 31 LYS CA C 31 58.621 58.621 58.010 0.611 18195
309 1 3 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.921 0.741 18195
310 1 3 . 1 1 31 31 LYS H H 31 9.303 9.303 8.076 1.227 18195
311 1 3 . 1 1 32 32 CYS N N 32 117.337 117.337 115.211 2.126 18195
312 1 3 . 1 1 32 32 CYS C C 32 177.051 177.051 174.533 2.518 18195
313 1 3 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.127 1.515 18195
314 1 3 . 1 1 32 32 CYS CB C 32 32.802 32.802 28.068 4.734 18195
315 1 3 . 1 1 32 32 CYS H H 32 8.556 8.556 7.811 0.745 18195
316 1 3 . 1 1 33 33 GLY N N 33 113.158 113.158 109.415 3.743 18195
317 1 3 . 1 1 33 33 GLY C C 33 173.711 173.711 173.409 0.302 18195
318 1 3 . 1 1 33 33 GLY CA C 33 46.179 46.179 44.804 1.375 18195
319 1 3 . 1 1 33 33 GLY H H 33 7.967 7.967 8.564 -0.597 18195
320 1 3 . 1 1 34 34 GLU N N 34 125.156 125.156 122.141 3.015 18195
321 1 3 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.402 -0.459 18195
322 1 3 . 1 1 34 34 GLU C C 34 175.334 175.334 176.390 -1.056 18195
323 1 3 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.015 1.033 18195
324 1 3 . 1 1 34 34 GLU CB C 34 30.292 30.292 29.786 0.506 18195
325 1 3 . 1 1 34 34 GLU H H 34 8.654 8.654 8.728 -0.074 18195
326 1 3 . 1 1 35 35 VAL N N 35 124.618 124.618 117.114 7.504 18195
327 1 3 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.329 -0.163 18195
328 1 3 . 1 1 35 35 VAL CA C 35 62.733 62.733 62.001 0.732 18195
329 1 3 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.424 -0.109 18195
330 1 3 . 1 1 35 35 VAL H H 35 8.332 8.332 7.986 0.346 18195
331 1 3 . 1 1 36 36 LEU N N 36 108.308 108.308 121.079 -12.771 18195
332 1 3 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.362 -2.878 18195
333 1 3 . 1 1 36 36 LEU CB C 36 41.192 41.192 40.723 0.469 18195
334 1 3 . 1 1 36 36 LEU H H 36 8.688 8.688 7.606 1.082 18195
335 1 3 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.214 0.176 18195
336 1 3 . 1 1 37 37 PRO C C 37 176.240 176.240 176.803 -0.563 18195
337 1 3 . 1 1 37 37 PRO CA C 37 64.718 64.718 64.431 0.286 18195
338 1 3 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.248 0.354 18195
339 1 3 . 1 1 38 38 ASP N N 38 111.540 111.540 113.592 -2.052 18195
340 1 3 . 1 1 38 38 ASP HA H 38 4.272 4.272 5.130 -0.858 18195
341 1 3 . 1 1 38 38 ASP C C 38 174.566 174.566 176.546 -1.980 18195
342 1 3 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.284 -2.695 18195
343 1 3 . 1 1 38 38 ASP CB C 38 42.381 42.381 43.430 -1.049 18195
344 1 3 . 1 1 38 38 ASP H H 38 7.107 7.107 8.473 -1.366 18195
345 1 3 . 1 1 39 39 ILE N N 39 118.049 118.049 109.919 8.130 18195
346 1 3 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.397 -0.834 18195
347 1 3 . 1 1 39 39 ILE C C 39 176.609 176.609 175.987 0.622 18195
348 1 3 . 1 1 39 39 ILE CA C 39 63.151 63.151 61.786 1.365 18195
349 1 3 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.184 -0.782 18195
350 1 3 . 1 1 39 39 ILE H H 39 8.096 8.096 7.637 0.459 18195
351 1 3 . 1 1 40 40 ASP N N 40 123.096 123.096 123.541 -0.445 18195
352 1 3 . 1 1 40 40 ASP C C 40 179.109 179.109 177.455 1.654 18195
353 1 3 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.270 0.448 18195
354 1 3 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.133 0.416 18195
355 1 3 . 1 1 40 40 ASP H H 40 7.919 7.919 8.563 -0.644 18195
356 1 3 . 1 1 41 41 THR N N 41 115.411 115.411 115.526 -0.115 18195
357 1 3 . 1 1 41 41 THR HA H 41 3.933 3.933 4.263 -0.330 18195
358 1 3 . 1 1 41 41 THR C C 41 177.991 177.991 176.618 1.373 18195
359 1 3 . 1 1 41 41 THR CA C 41 66.222 66.222 64.644 1.579 18195
360 1 3 . 1 1 41 41 THR CB C 41 68.200 68.200 68.575 -0.375 18195
361 1 3 . 1 1 41 41 THR H H 41 8.747 8.747 8.179 0.568 18195
362 1 3 . 1 1 42 42 LEU N N 42 124.027 124.027 123.057 0.970 18195
363 1 3 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.348 -0.251 18195
364 1 3 . 1 1 42 42 LEU C C 42 177.171 177.171 178.852 -1.681 18195
365 1 3 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.641 0.414 18195
366 1 3 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.062 0.290 18195
367 1 3 . 1 1 42 42 LEU H H 42 7.957 7.957 8.440 -0.483 18195
368 1 3 . 1 1 43 43 GLN N N 43 117.352 117.352 117.431 -0.079 18195
369 1 3 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.078 -0.051 18195
370 1 3 . 1 1 43 43 GLN C C 43 178.656 178.656 178.756 -0.100 18195
371 1 3 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.779 0.510 18195
372 1 3 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.514 -0.420 18195
373 1 3 . 1 1 43 43 GLN H H 43 8.148 8.148 7.708 0.440 18195
374 1 3 . 1 1 44 44 ILE N N 44 118.482 118.482 119.098 -0.616 18195
375 1 3 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.971 -0.184 18195
376 1 3 . 1 1 44 44 ILE C C 44 178.168 178.168 178.148 0.020 18195
377 1 3 . 1 1 44 44 ILE CA C 44 64.302 64.302 62.090 2.212 18195
378 1 3 . 1 1 44 44 ILE CB C 44 38.436 38.436 36.844 1.592 18195
379 1 3 . 1 1 44 44 ILE H H 44 7.423 7.423 7.347 0.076 18195
380 1 3 . 1 1 45 45 HIS N N 45 119.300 119.300 121.041 -1.741 18195
381 1 3 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.522 -0.325 18195
382 1 3 . 1 1 45 45 HIS C C 45 178.567 178.567 178.110 0.457 18195
383 1 3 . 1 1 45 45 HIS CA C 45 60.199 60.199 59.120 1.079 18195
384 1 3 . 1 1 45 45 HIS CB C 45 28.189 28.189 30.890 -2.701 18195
385 1 3 . 1 1 45 45 HIS H H 45 8.239 8.239 8.357 -0.118 18195
386 1 3 . 1 1 46 46 VAL N N 46 116.775 116.775 116.320 0.455 18195
387 1 3 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.640 0.075 18195
388 1 3 . 1 1 46 46 VAL C C 46 177.814 177.814 177.537 0.277 18195
389 1 3 . 1 1 46 46 VAL CA C 46 66.524 66.524 66.030 0.494 18195
390 1 3 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.633 0.534 18195
391 1 3 . 1 1 46 46 VAL H H 46 9.050 9.050 8.430 0.620 18195
392 1 3 . 1 1 47 47 MET N N 47 117.452 117.452 118.530 -1.078 18195
393 1 3 . 1 1 47 47 MET HA H 47 4.173 4.173 4.217 -0.044 18195
394 1 3 . 1 1 47 47 MET C C 47 176.758 176.758 177.515 -0.757 18195
395 1 3 . 1 1 47 47 MET CA C 47 58.225 58.225 58.376 -0.151 18195
396 1 3 . 1 1 47 47 MET CB C 47 32.404 32.404 32.682 -0.279 18195
397 1 3 . 1 1 47 47 MET H H 47 7.371 7.371 7.570 -0.199 18195
398 1 3 . 1 1 48 48 ASP N N 48 115.879 115.879 117.666 -1.787 18195
399 1 3 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.699 0.114 18195
400 1 3 . 1 1 48 48 ASP C C 48 174.927 174.927 176.768 -1.841 18195
401 1 3 . 1 1 48 48 ASP CA C 48 54.080 54.080 55.001 -0.921 18195
402 1 3 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.454 1.110 18195
403 1 3 . 1 1 48 48 ASP H H 48 6.887 6.887 7.777 -0.890 18195
404 1 3 . 1 1 49 49 CYS N N 49 124.146 124.146 118.243 5.903 18195
405 1 3 . 1 1 49 49 CYS C C 49 175.518 175.518 174.486 1.032 18195
406 1 3 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.464 2.917 18195
407 1 3 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.702 -0.640 18195
408 1 3 . 1 1 49 49 CYS H H 49 7.381 7.381 8.118 -0.737 18195
409 1 3 . 1 1 50 50 ILE N N 50 124.784 124.784 122.787 1.997 18195
410 1 3 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.315 -0.009 18195
411 1 3 . 1 1 50 50 ILE C C 50 175.110 175.110 175.551 -0.441 18195
412 1 3 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.303 2.004 18195
413 1 3 . 1 1 50 50 ILE CB C 50 39.015 39.015 35.967 3.048 18195
414 1 3 . 1 1 50 50 ILE H H 50 8.102 8.102 8.506 -0.404 18195
415 1 4 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.520 -0.229 18195
416 1 4 . 1 1 25 25 PRO C C 25 175.811 175.811 175.868 -0.057 18195
417 1 4 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.601 0.477 18195
418 1 4 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.547 -0.443 18195
419 1 4 . 1 1 26 26 ILE N N 26 120.375 120.375 121.446 -1.071 18195
420 1 4 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.247 -0.283 18195
421 1 4 . 1 1 26 26 ILE C C 26 175.801 175.801 174.620 1.181 18195
422 1 4 . 1 1 26 26 ILE CA C 26 60.521 60.521 60.151 0.370 18195
423 1 4 . 1 1 26 26 ILE CB C 26 39.333 39.333 38.861 0.472 18195
424 1 4 . 1 1 26 26 ILE H H 26 7.899 7.899 8.082 -0.183 18195
425 1 4 . 1 1 27 27 HIS N N 27 125.882 125.882 127.570 -1.688 18195
426 1 4 . 1 1 27 27 HIS C C 27 173.582 173.582 173.496 0.086 18195
427 1 4 . 1 1 27 27 HIS CA C 27 55.003 55.003 54.906 0.097 18195
428 1 4 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.224 -3.717 18195
429 1 4 . 1 1 27 27 HIS H H 27 8.457 8.457 8.475 -0.018 18195
430 1 4 . 1 1 28 28 SER N N 28 116.161 116.161 117.290 -1.129 18195
431 1 4 . 1 1 28 28 SER C C 28 173.532 173.532 173.840 -0.308 18195
432 1 4 . 1 1 28 28 SER CA C 28 55.642 55.642 57.258 -1.616 18195
433 1 4 . 1 1 28 28 SER CB C 28 65.533 65.533 66.079 -0.546 18195
434 1 4 . 1 1 28 28 SER H H 28 8.027 8.027 8.398 -0.371 18195
435 1 4 . 1 1 29 29 CYS N N 29 127.479 127.479 121.524 5.955 18195
436 1 4 . 1 1 29 29 CYS CA C 29 56.687 56.687 59.363 -2.676 18195
437 1 4 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.795 4.590 18195
438 1 4 . 1 1 29 29 CYS H H 29 8.947 8.947 8.721 0.226 18195
439 1 4 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.234 0.215 18195
440 1 4 . 1 1 30 30 PRO C C 30 176.651 176.651 177.198 -0.547 18195
441 1 4 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.253 -0.918 18195
442 1 4 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.894 0.530 18195
443 1 4 . 1 1 31 31 LYS N N 31 121.996 121.996 116.823 5.173 18195
444 1 4 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.287 0.065 18195
445 1 4 . 1 1 31 31 LYS C C 31 177.321 177.321 177.546 -0.225 18195
446 1 4 . 1 1 31 31 LYS CA C 31 58.621 58.621 57.541 1.080 18195
447 1 4 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.684 0.979 18195
448 1 4 . 1 1 31 31 LYS H H 31 9.303 9.303 8.409 0.894 18195
449 1 4 . 1 1 32 32 CYS N N 32 117.337 117.337 117.076 0.261 18195
450 1 4 . 1 1 32 32 CYS C C 32 177.051 177.051 175.667 1.384 18195
451 1 4 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.215 1.427 18195
452 1 4 . 1 1 32 32 CYS CB C 32 32.802 32.802 26.095 6.707 18195
453 1 4 . 1 1 32 32 CYS H H 32 8.556 8.556 8.392 0.164 18195
454 1 4 . 1 1 33 33 GLY N N 33 113.158 113.158 109.308 3.850 18195
455 1 4 . 1 1 33 33 GLY C C 33 173.711 173.711 173.633 0.078 18195
456 1 4 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.678 0.501 18195
457 1 4 . 1 1 33 33 GLY H H 33 7.967 7.967 7.621 0.346 18195
458 1 4 . 1 1 34 34 GLU N N 34 125.156 125.156 125.406 -0.250 18195
459 1 4 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.405 -0.462 18195
460 1 4 . 1 1 34 34 GLU C C 34 175.334 175.334 176.459 -1.125 18195
461 1 4 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.699 0.349 18195
462 1 4 . 1 1 34 34 GLU CB C 34 30.292 30.292 30.770 -0.478 18195
463 1 4 . 1 1 34 34 GLU H H 34 8.654 8.654 8.231 0.423 18195
464 1 4 . 1 1 35 35 VAL N N 35 124.618 124.618 118.170 6.448 18195
465 1 4 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.301 -0.135 18195
466 1 4 . 1 1 35 35 VAL CA C 35 62.733 62.733 62.183 0.550 18195
467 1 4 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.270 0.045 18195
468 1 4 . 1 1 35 35 VAL H H 35 8.332 8.332 8.028 0.304 18195
469 1 4 . 1 1 36 36 LEU N N 36 108.308 108.308 123.088 -14.780 18195
470 1 4 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.735 -3.251 18195
471 1 4 . 1 1 36 36 LEU CB C 36 41.192 41.192 40.965 0.227 18195
472 1 4 . 1 1 36 36 LEU H H 36 8.688 8.688 7.857 0.831 18195
473 1 4 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.243 0.147 18195
474 1 4 . 1 1 37 37 PRO C C 37 176.240 176.240 176.973 -0.733 18195
475 1 4 . 1 1 37 37 PRO CA C 37 64.718 64.718 64.694 0.024 18195
476 1 4 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.236 0.367 18195
477 1 4 . 1 1 38 38 ASP N N 38 111.540 111.540 113.861 -2.321 18195
478 1 4 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.815 -0.543 18195
479 1 4 . 1 1 38 38 ASP C C 38 174.566 174.566 176.276 -1.710 18195
480 1 4 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.293 -2.704 18195
481 1 4 . 1 1 38 38 ASP CB C 38 42.381 42.381 43.171 -0.790 18195
482 1 4 . 1 1 38 38 ASP H H 38 7.107 7.107 8.431 -1.324 18195
483 1 4 . 1 1 39 39 ILE N N 39 118.049 118.049 109.913 8.136 18195
484 1 4 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.397 -0.834 18195
485 1 4 . 1 1 39 39 ILE C C 39 176.609 176.609 175.977 0.632 18195
486 1 4 . 1 1 39 39 ILE CA C 39 63.151 63.151 61.642 1.509 18195
487 1 4 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.242 -0.841 18195
488 1 4 . 1 1 39 39 ILE H H 39 8.096 8.096 7.674 0.422 18195
489 1 4 . 1 1 40 40 ASP N N 40 123.096 123.096 123.837 -0.741 18195
490 1 4 . 1 1 40 40 ASP C C 40 179.109 179.109 177.697 1.412 18195
491 1 4 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.307 0.411 18195
492 1 4 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.170 0.379 18195
493 1 4 . 1 1 40 40 ASP H H 40 7.919 7.919 8.452 -0.533 18195
494 1 4 . 1 1 41 41 THR N N 41 115.411 115.411 114.854 0.557 18195
495 1 4 . 1 1 41 41 THR HA H 41 3.933 3.933 4.315 -0.382 18195
496 1 4 . 1 1 41 41 THR C C 41 177.991 177.991 175.984 2.007 18195
497 1 4 . 1 1 41 41 THR CA C 41 66.222 66.222 64.237 1.985 18195
498 1 4 . 1 1 41 41 THR CB C 41 68.200 68.200 68.923 -0.723 18195
499 1 4 . 1 1 41 41 THR H H 41 8.747 8.747 8.109 0.638 18195
500 1 4 . 1 1 42 42 LEU N N 42 124.027 124.027 122.709 1.318 18195
501 1 4 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.204 -0.107 18195
502 1 4 . 1 1 42 42 LEU C C 42 177.171 177.171 177.659 -0.488 18195
503 1 4 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.849 0.206 18195
504 1 4 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.251 0.101 18195
505 1 4 . 1 1 42 42 LEU H H 42 7.957 7.957 8.407 -0.450 18195
506 1 4 . 1 1 43 43 GLN N N 43 117.352 117.352 117.980 -0.628 18195
507 1 4 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.043 -0.016 18195
508 1 4 . 1 1 43 43 GLN C C 43 178.656 178.656 178.865 -0.209 18195
509 1 4 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.786 0.503 18195
510 1 4 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.737 -0.643 18195
511 1 4 . 1 1 43 43 GLN H H 43 8.148 8.148 7.505 0.643 18195
512 1 4 . 1 1 44 44 ILE N N 44 118.482 118.482 119.824 -1.342 18195
513 1 4 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.758 0.029 18195
514 1 4 . 1 1 44 44 ILE C C 44 178.168 178.168 177.685 0.483 18195
515 1 4 . 1 1 44 44 ILE CA C 44 64.302 64.302 64.922 -0.620 18195
516 1 4 . 1 1 44 44 ILE CB C 44 38.436 38.436 38.171 0.265 18195
517 1 4 . 1 1 44 44 ILE H H 44 7.423 7.423 7.421 0.002 18195
518 1 4 . 1 1 45 45 HIS N N 45 119.300 119.300 119.480 -0.180 18195
519 1 4 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.356 -0.159 18195
520 1 4 . 1 1 45 45 HIS C C 45 178.567 178.567 177.749 0.818 18195
521 1 4 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.501 1.698 18195
522 1 4 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.843 -1.653 18195
523 1 4 . 1 1 45 45 HIS H H 45 8.239 8.239 7.987 0.252 18195
524 1 4 . 1 1 46 46 VAL N N 46 116.775 116.775 120.097 -3.322 18195
525 1 4 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.583 0.132 18195
526 1 4 . 1 1 46 46 VAL C C 46 177.814 177.814 176.765 1.049 18195
527 1 4 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.715 0.809 18195
528 1 4 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.755 0.412 18195
529 1 4 . 1 1 46 46 VAL H H 46 9.050 9.050 8.311 0.739 18195
530 1 4 . 1 1 47 47 MET N N 47 117.452 117.452 115.902 1.550 18195
531 1 4 . 1 1 47 47 MET HA H 47 4.173 4.173 4.228 -0.055 18195
532 1 4 . 1 1 47 47 MET C C 47 176.758 176.758 176.943 -0.185 18195
533 1 4 . 1 1 47 47 MET CA C 47 58.225 58.225 58.065 0.160 18195
534 1 4 . 1 1 47 47 MET CB C 47 32.404 32.404 32.553 -0.149 18195
535 1 4 . 1 1 47 47 MET H H 47 7.371 7.371 7.411 -0.040 18195
536 1 4 . 1 1 48 48 ASP N N 48 115.879 115.879 118.994 -3.115 18195
537 1 4 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.683 0.130 18195
538 1 4 . 1 1 48 48 ASP C C 48 174.927 174.927 176.203 -1.276 18195
539 1 4 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.747 -0.667 18195
540 1 4 . 1 1 48 48 ASP CB C 48 42.564 42.564 42.443 0.121 18195
541 1 4 . 1 1 48 48 ASP H H 48 6.887 6.887 7.817 -0.930 18195
542 1 4 . 1 1 49 49 CYS N N 49 124.146 124.146 118.008 6.138 18195
543 1 4 . 1 1 49 49 CYS C C 49 175.518 175.518 173.998 1.520 18195
544 1 4 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.362 3.019 18195
545 1 4 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.228 -0.166 18195
546 1 4 . 1 1 49 49 CYS H H 49 7.381 7.381 7.824 -0.443 18195
547 1 4 . 1 1 50 50 ILE N N 50 124.784 124.784 122.044 2.740 18195
548 1 4 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.267 0.039 18195
549 1 4 . 1 1 50 50 ILE C C 50 175.110 175.110 175.252 -0.142 18195
550 1 4 . 1 1 50 50 ILE CA C 50 61.307 61.307 60.755 0.552 18195
551 1 4 . 1 1 50 50 ILE CB C 50 39.015 39.015 38.530 0.485 18195
552 1 4 . 1 1 50 50 ILE H H 50 8.102 8.102 8.364 -0.262 18195
553 1 5 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.725 -0.434 18195
554 1 5 . 1 1 25 25 PRO C C 25 175.811 175.811 175.550 0.261 18195
555 1 5 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.898 0.180 18195
556 1 5 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.286 -0.182 18195
557 1 5 . 1 1 26 26 ILE N N 26 120.375 120.375 116.525 3.850 18195
558 1 5 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.676 -0.712 18195
559 1 5 . 1 1 26 26 ILE C C 26 175.801 175.801 174.208 1.593 18195
560 1 5 . 1 1 26 26 ILE CA C 26 60.521 60.521 58.791 1.730 18195
561 1 5 . 1 1 26 26 ILE CB C 26 39.333 39.333 41.311 -1.978 18195
562 1 5 . 1 1 26 26 ILE H H 26 7.899 7.899 8.081 -0.182 18195
563 1 5 . 1 1 27 27 HIS N N 27 125.882 125.882 120.350 5.532 18195
564 1 5 . 1 1 27 27 HIS C C 27 173.582 173.582 173.206 0.376 18195
565 1 5 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.873 -0.870 18195
566 1 5 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.050 -3.543 18195
567 1 5 . 1 1 27 27 HIS H H 27 8.457 8.457 8.598 -0.141 18195
568 1 5 . 1 1 28 28 SER N N 28 116.161 116.161 118.762 -2.601 18195
569 1 5 . 1 1 28 28 SER C C 28 173.532 173.532 173.247 0.285 18195
570 1 5 . 1 1 28 28 SER CA C 28 55.642 55.642 56.575 -0.933 18195
571 1 5 . 1 1 28 28 SER CB C 28 65.533 65.533 66.377 -0.844 18195
572 1 5 . 1 1 28 28 SER H H 28 8.027 8.027 7.810 0.217 18195
573 1 5 . 1 1 29 29 CYS N N 29 127.479 127.479 121.356 6.123 18195
574 1 5 . 1 1 29 29 CYS CA C 29 56.687 56.687 58.930 -2.243 18195
575 1 5 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.679 4.706 18195
576 1 5 . 1 1 29 29 CYS H H 29 8.947 8.947 8.746 0.201 18195
577 1 5 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.121 0.328 18195
578 1 5 . 1 1 30 30 PRO C C 30 176.651 176.651 177.421 -0.770 18195
579 1 5 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.526 -1.191 18195
580 1 5 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.920 0.504 18195
581 1 5 . 1 1 31 31 LYS N N 31 121.996 121.996 116.804 5.192 18195
582 1 5 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.214 0.138 18195
583 1 5 . 1 1 31 31 LYS C C 31 177.321 177.321 177.691 -0.370 18195
584 1 5 . 1 1 31 31 LYS CA C 31 58.621 58.621 57.360 1.261 18195
585 1 5 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.584 1.078 18195
586 1 5 . 1 1 31 31 LYS H H 31 9.303 9.303 8.269 1.034 18195
587 1 5 . 1 1 32 32 CYS N N 32 117.337 117.337 119.342 -2.005 18195
588 1 5 . 1 1 32 32 CYS C C 32 177.051 177.051 175.833 1.218 18195
589 1 5 . 1 1 32 32 CYS CA C 32 58.642 58.642 58.579 0.063 18195
590 1 5 . 1 1 32 32 CYS CB C 32 32.802 32.802 25.894 6.908 18195
591 1 5 . 1 1 32 32 CYS H H 32 8.556 8.556 8.384 0.172 18195
592 1 5 . 1 1 33 33 GLY N N 33 113.158 113.158 109.387 3.771 18195
593 1 5 . 1 1 33 33 GLY C C 33 173.711 173.711 173.635 0.076 18195
594 1 5 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.654 0.525 18195
595 1 5 . 1 1 33 33 GLY H H 33 7.967 7.967 7.652 0.315 18195
596 1 5 . 1 1 34 34 GLU N N 34 125.156 125.156 124.940 0.216 18195
597 1 5 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.496 -0.553 18195
598 1 5 . 1 1 34 34 GLU C C 34 175.334 175.334 176.942 -1.608 18195
599 1 5 . 1 1 34 34 GLU CA C 34 58.048 58.048 56.725 1.323 18195
600 1 5 . 1 1 34 34 GLU CB C 34 30.292 30.292 30.382 -0.090 18195
601 1 5 . 1 1 34 34 GLU H H 34 8.654 8.654 8.082 0.572 18195
602 1 5 . 1 1 35 35 VAL N N 35 124.618 124.618 117.072 7.546 18195
603 1 5 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.396 -0.230 18195
604 1 5 . 1 1 35 35 VAL CA C 35 62.733 62.733 61.665 1.068 18195
605 1 5 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.307 0.008 18195
606 1 5 . 1 1 35 35 VAL H H 35 8.332 8.332 7.956 0.376 18195
607 1 5 . 1 1 36 36 LEU N N 36 108.308 108.308 121.889 -13.581 18195
608 1 5 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.435 -2.951 18195
609 1 5 . 1 1 36 36 LEU CB C 36 41.192 41.192 40.935 0.257 18195
610 1 5 . 1 1 36 36 LEU H H 36 8.688 8.688 7.713 0.975 18195
611 1 5 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.291 0.099 18195
612 1 5 . 1 1 37 37 PRO C C 37 176.240 176.240 176.630 -0.390 18195
613 1 5 . 1 1 37 37 PRO CA C 37 64.718 64.718 64.152 0.566 18195
614 1 5 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.192 0.411 18195
615 1 5 . 1 1 38 38 ASP N N 38 111.540 111.540 115.160 -3.620 18195
616 1 5 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.881 -0.609 18195
617 1 5 . 1 1 38 38 ASP C C 38 174.566 174.566 176.331 -1.765 18195
618 1 5 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.145 -2.556 18195
619 1 5 . 1 1 38 38 ASP CB C 38 42.381 42.381 42.947 -0.566 18195
620 1 5 . 1 1 38 38 ASP H H 38 7.107 7.107 8.473 -1.366 18195
621 1 5 . 1 1 39 39 ILE N N 39 118.049 118.049 116.648 1.401 18195
622 1 5 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.269 -0.706 18195
623 1 5 . 1 1 39 39 ILE C C 39 176.609 176.609 176.951 -0.342 18195
624 1 5 . 1 1 39 39 ILE CA C 39 63.151 63.151 61.701 1.450 18195
625 1 5 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.559 -1.158 18195
626 1 5 . 1 1 39 39 ILE H H 39 8.096 8.096 7.666 0.430 18195
627 1 5 . 1 1 40 40 ASP N N 40 123.096 123.096 122.364 0.732 18195
628 1 5 . 1 1 40 40 ASP C C 40 179.109 179.109 177.554 1.555 18195
629 1 5 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.240 0.477 18195
630 1 5 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.149 0.400 18195
631 1 5 . 1 1 40 40 ASP H H 40 7.919 7.919 8.321 -0.402 18195
632 1 5 . 1 1 41 41 THR N N 41 115.411 115.411 114.244 1.167 18195
633 1 5 . 1 1 41 41 THR HA H 41 3.933 3.933 4.238 -0.305 18195
634 1 5 . 1 1 41 41 THR C C 41 177.991 177.991 176.877 1.114 18195
635 1 5 . 1 1 41 41 THR CA C 41 66.222 66.222 64.349 1.873 18195
636 1 5 . 1 1 41 41 THR CB C 41 68.200 68.200 68.669 -0.469 18195
637 1 5 . 1 1 41 41 THR H H 41 8.747 8.747 8.134 0.613 18195
638 1 5 . 1 1 42 42 LEU N N 42 124.027 124.027 122.621 1.406 18195
639 1 5 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.314 -0.217 18195
640 1 5 . 1 1 42 42 LEU C C 42 177.171 177.171 177.856 -0.685 18195
641 1 5 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.377 0.678 18195
642 1 5 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.347 0.005 18195
643 1 5 . 1 1 42 42 LEU H H 42 7.957 7.957 8.191 -0.234 18195
644 1 5 . 1 1 43 43 GLN N N 43 117.352 117.352 117.746 -0.394 18195
645 1 5 . 1 1 43 43 GLN HA H 43 4.027 4.027 3.974 0.053 18195
646 1 5 . 1 1 43 43 GLN C C 43 178.656 178.656 179.018 -0.362 18195
647 1 5 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.999 0.290 18195
648 1 5 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.505 -0.411 18195
649 1 5 . 1 1 43 43 GLN H H 43 8.148 8.148 7.741 0.407 18195
650 1 5 . 1 1 44 44 ILE N N 44 118.482 118.482 118.579 -0.097 18195
651 1 5 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.822 -0.035 18195
652 1 5 . 1 1 44 44 ILE C C 44 178.168 178.168 177.941 0.227 18195
653 1 5 . 1 1 44 44 ILE CA C 44 64.302 64.302 64.380 -0.078 18195
654 1 5 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.980 0.457 18195
655 1 5 . 1 1 44 44 ILE H H 44 7.423 7.423 7.426 -0.003 18195
656 1 5 . 1 1 45 45 HIS N N 45 119.300 119.300 120.067 -0.767 18195
657 1 5 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.289 -0.092 18195
658 1 5 . 1 1 45 45 HIS C C 45 178.567 178.567 177.612 0.955 18195
659 1 5 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.105 2.094 18195
660 1 5 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.444 -1.255 18195
661 1 5 . 1 1 45 45 HIS H H 45 8.239 8.239 7.937 0.302 18195
662 1 5 . 1 1 46 46 VAL N N 46 116.775 116.775 118.942 -2.167 18195
663 1 5 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.523 0.192 18195
664 1 5 . 1 1 46 46 VAL C C 46 177.814 177.814 176.737 1.077 18195
665 1 5 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.742 0.782 18195
666 1 5 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.635 0.532 18195
667 1 5 . 1 1 46 46 VAL H H 46 9.050 9.050 8.222 0.828 18195
668 1 5 . 1 1 47 47 MET N N 47 117.452 117.452 114.403 3.049 18195
669 1 5 . 1 1 47 47 MET HA H 47 4.173 4.173 4.249 -0.076 18195
670 1 5 . 1 1 47 47 MET C C 47 176.758 176.758 177.071 -0.313 18195
671 1 5 . 1 1 47 47 MET CA C 47 58.225 58.225 57.719 0.506 18195
672 1 5 . 1 1 47 47 MET CB C 47 32.404 32.404 32.382 0.022 18195
673 1 5 . 1 1 47 47 MET H H 47 7.371 7.371 7.378 -0.007 18195
674 1 5 . 1 1 48 48 ASP N N 48 115.879 115.879 118.285 -2.406 18195
675 1 5 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.730 0.083 18195
676 1 5 . 1 1 48 48 ASP C C 48 174.927 174.927 176.343 -1.416 18195
677 1 5 . 1 1 48 48 ASP CA C 48 54.080 54.080 55.070 -0.990 18195
678 1 5 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.828 0.736 18195
679 1 5 . 1 1 48 48 ASP H H 48 6.887 6.887 8.043 -1.156 18195
680 1 5 . 1 1 49 49 CYS N N 49 124.146 124.146 117.531 6.615 18195
681 1 5 . 1 1 49 49 CYS C C 49 175.518 175.518 174.823 0.695 18195
682 1 5 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.418 2.963 18195
683 1 5 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.517 -0.455 18195
684 1 5 . 1 1 49 49 CYS H H 49 7.381 7.381 7.848 -0.467 18195
685 1 5 . 1 1 50 50 ILE N N 50 124.784 124.784 123.359 1.425 18195
686 1 5 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.436 -0.130 18195
687 1 5 . 1 1 50 50 ILE C C 50 175.110 175.110 174.662 0.448 18195
688 1 5 . 1 1 50 50 ILE CA C 50 61.307 61.307 60.620 0.688 18195
689 1 5 . 1 1 50 50 ILE CB C 50 39.015 39.015 38.885 0.131 18195
690 1 5 . 1 1 50 50 ILE H H 50 8.102 8.102 8.219 -0.117 18195
691 1 6 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.393 -0.102 18195
692 1 6 . 1 1 25 25 PRO C C 25 175.811 175.811 175.201 0.610 18195
693 1 6 . 1 1 25 25 PRO CA C 25 63.078 63.078 63.599 -0.521 18195
694 1 6 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.044 0.060 18195
695 1 6 . 1 1 26 26 ILE N N 26 120.375 120.375 123.675 -3.300 18195
696 1 6 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.365 -0.401 18195
697 1 6 . 1 1 26 26 ILE C C 26 175.801 175.801 173.972 1.829 18195
698 1 6 . 1 1 26 26 ILE CA C 26 60.521 60.521 59.730 0.791 18195
699 1 6 . 1 1 26 26 ILE CB C 26 39.333 39.333 40.511 -1.177 18195
700 1 6 . 1 1 26 26 ILE H H 26 7.899 7.899 7.729 0.171 18195
701 1 6 . 1 1 27 27 HIS N N 27 125.882 125.882 125.744 0.138 18195
702 1 6 . 1 1 27 27 HIS C C 27 173.582 173.582 173.819 -0.237 18195
703 1 6 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.323 -0.320 18195
704 1 6 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.723 -4.216 18195
705 1 6 . 1 1 27 27 HIS H H 27 8.457 8.457 8.580 -0.123 18195
706 1 6 . 1 1 28 28 SER N N 28 116.161 116.161 117.050 -0.889 18195
707 1 6 . 1 1 28 28 SER C C 28 173.532 173.532 173.668 -0.136 18195
708 1 6 . 1 1 28 28 SER CA C 28 55.642 55.642 57.032 -1.390 18195
709 1 6 . 1 1 28 28 SER CB C 28 65.533 65.533 66.345 -0.812 18195
710 1 6 . 1 1 28 28 SER H H 28 8.027 8.027 8.398 -0.371 18195
711 1 6 . 1 1 29 29 CYS N N 29 127.479 127.479 122.256 5.223 18195
712 1 6 . 1 1 29 29 CYS CA C 29 56.687 56.687 57.819 -1.132 18195
713 1 6 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.660 4.725 18195
714 1 6 . 1 1 29 29 CYS H H 29 8.947 8.947 8.801 0.146 18195
715 1 6 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.085 0.364 18195
716 1 6 . 1 1 30 30 PRO C C 30 176.651 176.651 177.242 -0.591 18195
717 1 6 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.393 -1.058 18195
718 1 6 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.751 0.673 18195
719 1 6 . 1 1 31 31 LYS N N 31 121.996 121.996 116.204 5.792 18195
720 1 6 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.288 0.064 18195
721 1 6 . 1 1 31 31 LYS C C 31 177.321 177.321 178.340 -1.019 18195
722 1 6 . 1 1 31 31 LYS CA C 31 58.621 58.621 57.267 1.355 18195
723 1 6 . 1 1 31 31 LYS CB C 31 33.662 33.662 31.883 1.779 18195
724 1 6 . 1 1 31 31 LYS H H 31 9.303 9.303 8.345 0.958 18195
725 1 6 . 1 1 32 32 CYS N N 32 117.337 117.337 118.062 -0.725 18195
726 1 6 . 1 1 32 32 CYS C C 32 177.051 177.051 175.825 1.226 18195
727 1 6 . 1 1 32 32 CYS CA C 32 58.642 58.642 58.652 -0.010 18195
728 1 6 . 1 1 32 32 CYS CB C 32 32.802 32.802 26.812 5.990 18195
729 1 6 . 1 1 32 32 CYS H H 32 8.556 8.556 8.305 0.251 18195
730 1 6 . 1 1 33 33 GLY N N 33 113.158 113.158 109.171 3.987 18195
731 1 6 . 1 1 33 33 GLY C C 33 173.711 173.711 173.749 -0.038 18195
732 1 6 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.995 0.184 18195
733 1 6 . 1 1 33 33 GLY H H 33 7.967 7.967 7.730 0.237 18195
734 1 6 . 1 1 34 34 GLU N N 34 125.156 125.156 123.751 1.405 18195
735 1 6 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.459 -0.516 18195
736 1 6 . 1 1 34 34 GLU C C 34 175.334 175.334 176.698 -1.364 18195
737 1 6 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.020 1.028 18195
738 1 6 . 1 1 34 34 GLU CB C 34 30.292 30.292 32.226 -1.934 18195
739 1 6 . 1 1 34 34 GLU H H 34 8.654 8.654 8.147 0.507 18195
740 1 6 . 1 1 35 35 VAL N N 35 124.618 124.618 115.104 9.514 18195
741 1 6 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.398 -0.232 18195
742 1 6 . 1 1 35 35 VAL CA C 35 62.733 62.733 61.583 1.150 18195
743 1 6 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.546 -0.231 18195
744 1 6 . 1 1 35 35 VAL H H 35 8.332 8.332 8.025 0.307 18195
745 1 6 . 1 1 36 36 LEU N N 36 108.308 108.308 122.476 -14.168 18195
746 1 6 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.717 -3.233 18195
747 1 6 . 1 1 36 36 LEU CB C 36 41.192 41.192 40.408 0.784 18195
748 1 6 . 1 1 36 36 LEU H H 36 8.688 8.688 8.007 0.681 18195
749 1 6 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.264 0.126 18195
750 1 6 . 1 1 37 37 PRO C C 37 176.240 176.240 176.560 -0.320 18195
751 1 6 . 1 1 37 37 PRO CA C 37 64.718 64.718 64.206 0.512 18195
752 1 6 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.324 0.279 18195
753 1 6 . 1 1 38 38 ASP N N 38 111.540 111.540 114.680 -3.140 18195
754 1 6 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.958 -0.686 18195
755 1 6 . 1 1 38 38 ASP C C 38 174.566 174.566 176.150 -1.584 18195
756 1 6 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.230 -2.641 18195
757 1 6 . 1 1 38 38 ASP CB C 38 42.381 42.381 44.184 -1.803 18195
758 1 6 . 1 1 38 38 ASP H H 38 7.107 7.107 8.822 -1.715 18195
759 1 6 . 1 1 39 39 ILE N N 39 118.049 118.049 112.320 5.729 18195
760 1 6 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.310 -0.747 18195
761 1 6 . 1 1 39 39 ILE C C 39 176.609 176.609 176.427 0.182 18195
762 1 6 . 1 1 39 39 ILE CA C 39 63.151 63.151 62.093 1.058 18195
763 1 6 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.562 -1.161 18195
764 1 6 . 1 1 39 39 ILE H H 39 8.096 8.096 7.904 0.192 18195
765 1 6 . 1 1 40 40 ASP N N 40 123.096 123.096 123.671 -0.575 18195
766 1 6 . 1 1 40 40 ASP C C 40 179.109 179.109 177.597 1.512 18195
767 1 6 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.536 0.182 18195
768 1 6 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.293 0.256 18195
769 1 6 . 1 1 40 40 ASP H H 40 7.919 7.919 8.480 -0.561 18195
770 1 6 . 1 1 41 41 THR N N 41 115.411 115.411 113.051 2.360 18195
771 1 6 . 1 1 41 41 THR HA H 41 3.933 3.933 4.253 -0.320 18195
772 1 6 . 1 1 41 41 THR C C 41 177.991 177.991 176.515 1.476 18195
773 1 6 . 1 1 41 41 THR CA C 41 66.222 66.222 64.583 1.639 18195
774 1 6 . 1 1 41 41 THR CB C 41 68.200 68.200 68.870 -0.670 18195
775 1 6 . 1 1 41 41 THR H H 41 8.747 8.747 8.159 0.588 18195
776 1 6 . 1 1 42 42 LEU N N 42 124.027 124.027 124.021 0.006 18195
777 1 6 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.371 -0.274 18195
778 1 6 . 1 1 42 42 LEU C C 42 177.171 177.171 177.758 -0.587 18195
779 1 6 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.287 0.768 18195
780 1 6 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.172 0.180 18195
781 1 6 . 1 1 42 42 LEU H H 42 7.957 7.957 8.131 -0.174 18195
782 1 6 . 1 1 43 43 GLN N N 43 117.352 117.352 118.393 -1.041 18195
783 1 6 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.016 0.011 18195
784 1 6 . 1 1 43 43 GLN C C 43 178.656 178.656 178.556 0.100 18195
785 1 6 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.726 0.563 18195
786 1 6 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.107 -0.013 18195
787 1 6 . 1 1 43 43 GLN H H 43 8.148 8.148 7.743 0.405 18195
788 1 6 . 1 1 44 44 ILE N N 44 118.482 118.482 119.637 -1.155 18195
789 1 6 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.872 -0.085 18195
790 1 6 . 1 1 44 44 ILE C C 44 178.168 178.168 177.749 0.419 18195
791 1 6 . 1 1 44 44 ILE CA C 44 64.302 64.302 63.488 0.814 18195
792 1 6 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.364 1.071 18195
793 1 6 . 1 1 44 44 ILE H H 44 7.423 7.423 7.458 -0.035 18195
794 1 6 . 1 1 45 45 HIS N N 45 119.300 119.300 120.566 -1.266 18195
795 1 6 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.318 -0.121 18195
796 1 6 . 1 1 45 45 HIS C C 45 178.567 178.567 177.707 0.860 18195
797 1 6 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.623 1.576 18195
798 1 6 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.655 -1.466 18195
799 1 6 . 1 1 45 45 HIS H H 45 8.239 8.239 7.903 0.336 18195
800 1 6 . 1 1 46 46 VAL N N 46 116.775 116.775 119.806 -3.031 18195
801 1 6 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.509 0.206 18195
802 1 6 . 1 1 46 46 VAL C C 46 177.814 177.814 176.689 1.125 18195
803 1 6 . 1 1 46 46 VAL CA C 46 66.524 66.524 66.036 0.488 18195
804 1 6 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.748 0.419 18195
805 1 6 . 1 1 46 46 VAL H H 46 9.050 9.050 8.572 0.478 18195
806 1 6 . 1 1 47 47 MET N N 47 117.452 117.452 115.724 1.728 18195
807 1 6 . 1 1 47 47 MET HA H 47 4.173 4.173 4.216 -0.043 18195
808 1 6 . 1 1 47 47 MET C C 47 176.758 176.758 176.808 -0.050 18195
809 1 6 . 1 1 47 47 MET CA C 47 58.225 58.225 57.920 0.305 18195
810 1 6 . 1 1 47 47 MET CB C 47 32.404 32.404 32.560 -0.156 18195
811 1 6 . 1 1 47 47 MET H H 47 7.371 7.371 7.386 -0.015 18195
812 1 6 . 1 1 48 48 ASP N N 48 115.879 115.879 118.552 -2.673 18195
813 1 6 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.694 0.119 18195
814 1 6 . 1 1 48 48 ASP C C 48 174.927 174.927 176.307 -1.380 18195
815 1 6 . 1 1 48 48 ASP CA C 48 54.080 54.080 55.141 -1.061 18195
816 1 6 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.822 0.742 18195
817 1 6 . 1 1 48 48 ASP H H 48 6.887 6.887 7.905 -1.018 18195
818 1 6 . 1 1 49 49 CYS N N 49 124.146 124.146 117.388 6.758 18195
819 1 6 . 1 1 49 49 CYS C C 49 175.518 175.518 174.564 0.954 18195
820 1 6 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.379 3.002 18195
821 1 6 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.440 -0.378 18195
822 1 6 . 1 1 49 49 CYS H H 49 7.381 7.381 7.719 -0.338 18195
823 1 6 . 1 1 50 50 ILE N N 50 124.784 124.784 120.897 3.887 18195
824 1 6 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.441 -0.135 18195
825 1 6 . 1 1 50 50 ILE C C 50 175.110 175.110 175.365 -0.255 18195
826 1 6 . 1 1 50 50 ILE CA C 50 61.307 61.307 60.579 0.728 18195
827 1 6 . 1 1 50 50 ILE CB C 50 39.015 39.015 37.691 1.324 18195
828 1 6 . 1 1 50 50 ILE H H 50 8.102 8.102 8.158 -0.056 18195
829 1 7 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.672 -0.381 18195
830 1 7 . 1 1 25 25 PRO C C 25 175.811 175.811 175.537 0.274 18195
831 1 7 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.956 0.122 18195
832 1 7 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.898 -0.794 18195
833 1 7 . 1 1 26 26 ILE N N 26 120.375 120.375 117.718 2.657 18195
834 1 7 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.498 -0.534 18195
835 1 7 . 1 1 26 26 ILE C C 26 175.801 175.801 174.517 1.284 18195
836 1 7 . 1 1 26 26 ILE CA C 26 60.521 60.521 60.605 -0.083 18195
837 1 7 . 1 1 26 26 ILE CB C 26 39.333 39.333 39.426 -0.093 18195
838 1 7 . 1 1 26 26 ILE H H 26 7.899 7.899 8.229 -0.330 18195
839 1 7 . 1 1 27 27 HIS N N 27 125.882 125.882 125.329 0.553 18195
840 1 7 . 1 1 27 27 HIS C C 27 173.582 173.582 173.962 -0.380 18195
841 1 7 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.648 -0.645 18195
842 1 7 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.764 -4.257 18195
843 1 7 . 1 1 27 27 HIS H H 27 8.457 8.457 8.592 -0.135 18195
844 1 7 . 1 1 28 28 SER N N 28 116.161 116.161 116.948 -0.787 18195
845 1 7 . 1 1 28 28 SER C C 28 173.532 173.532 173.885 -0.353 18195
846 1 7 . 1 1 28 28 SER CA C 28 55.642 55.642 56.949 -1.307 18195
847 1 7 . 1 1 28 28 SER CB C 28 65.533 65.533 65.021 0.512 18195
848 1 7 . 1 1 28 28 SER H H 28 8.027 8.027 8.466 -0.439 18195
849 1 7 . 1 1 29 29 CYS N N 29 127.479 127.479 122.435 5.044 18195
850 1 7 . 1 1 29 29 CYS CA C 29 56.687 56.687 56.494 0.193 18195
851 1 7 . 1 1 29 29 CYS CB C 29 31.385 31.385 27.544 3.841 18195
852 1 7 . 1 1 29 29 CYS H H 29 8.947 8.947 9.029 -0.082 18195
853 1 7 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.295 0.154 18195
854 1 7 . 1 1 30 30 PRO C C 30 176.651 176.651 177.347 -0.696 18195
855 1 7 . 1 1 30 30 PRO CA C 30 64.335 64.335 64.759 -0.424 18195
856 1 7 . 1 1 30 30 PRO CB C 30 32.424 32.424 32.348 0.076 18195
857 1 7 . 1 1 31 31 LYS N N 31 121.996 121.996 117.952 4.044 18195
858 1 7 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.131 0.221 18195
859 1 7 . 1 1 31 31 LYS C C 31 177.321 177.321 177.814 -0.493 18195
860 1 7 . 1 1 31 31 LYS CA C 31 58.621 58.621 58.293 0.328 18195
861 1 7 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.672 0.990 18195
862 1 7 . 1 1 31 31 LYS H H 31 9.303 9.303 8.025 1.278 18195
863 1 7 . 1 1 32 32 CYS N N 32 117.337 117.337 112.296 5.041 18195
864 1 7 . 1 1 32 32 CYS C C 32 177.051 177.051 175.359 1.692 18195
865 1 7 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.697 0.945 18195
866 1 7 . 1 1 32 32 CYS CB C 32 32.802 32.802 29.621 3.181 18195
867 1 7 . 1 1 32 32 CYS H H 32 8.556 8.556 7.869 0.687 18195
868 1 7 . 1 1 33 33 GLY N N 33 113.158 113.158 109.600 3.558 18195
869 1 7 . 1 1 33 33 GLY C C 33 173.711 173.711 172.946 0.765 18195
870 1 7 . 1 1 33 33 GLY CA C 33 46.179 46.179 44.839 1.340 18195
871 1 7 . 1 1 33 33 GLY H H 33 7.967 7.967 8.144 -0.177 18195
872 1 7 . 1 1 34 34 GLU N N 34 125.156 125.156 119.548 5.608 18195
873 1 7 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.407 -0.464 18195
874 1 7 . 1 1 34 34 GLU C C 34 175.334 175.334 176.732 -1.398 18195
875 1 7 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.243 0.805 18195
876 1 7 . 1 1 34 34 GLU CB C 34 30.292 30.292 32.027 -1.735 18195
877 1 7 . 1 1 34 34 GLU H H 34 8.654 8.654 8.714 -0.060 18195
878 1 7 . 1 1 35 35 VAL N N 35 124.618 124.618 114.608 10.010 18195
879 1 7 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.221 -0.055 18195
880 1 7 . 1 1 35 35 VAL CA C 35 62.733 62.733 63.264 -0.531 18195
881 1 7 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.519 -0.204 18195
882 1 7 . 1 1 35 35 VAL H H 35 8.332 8.332 8.260 0.072 18195
883 1 7 . 1 1 36 36 LEU N N 36 108.308 108.308 122.202 -13.894 18195
884 1 7 . 1 1 36 36 LEU CA C 36 50.484 50.484 52.208 -1.724 18195
885 1 7 . 1 1 36 36 LEU CB C 36 41.192 41.192 41.350 -0.158 18195
886 1 7 . 1 1 36 36 LEU H H 36 8.688 8.688 7.673 1.015 18195
887 1 7 . 1 1 37 37 PRO HA H 37 4.390 4.390 5.040 -0.650 18195
888 1 7 . 1 1 37 37 PRO C C 37 176.240 176.240 176.223 0.017 18195
889 1 7 . 1 1 37 37 PRO CA C 37 64.718 64.718 62.556 2.162 18195
890 1 7 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.518 0.085 18195
891 1 7 . 1 1 38 38 ASP N N 38 111.540 111.540 124.386 -12.846 18195
892 1 7 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.794 -0.522 18195
893 1 7 . 1 1 38 38 ASP C C 38 174.566 174.566 177.437 -2.871 18195
894 1 7 . 1 1 38 38 ASP CA C 38 52.589 52.589 53.553 -0.964 18195
895 1 7 . 1 1 38 38 ASP CB C 38 42.381 42.381 41.040 1.341 18195
896 1 7 . 1 1 38 38 ASP H H 38 7.107 7.107 8.558 -1.451 18195
897 1 7 . 1 1 39 39 ILE N N 39 118.049 118.049 122.684 -4.635 18195
898 1 7 . 1 1 39 39 ILE HA H 39 3.563 3.563 3.582 -0.019 18195
899 1 7 . 1 1 39 39 ILE C C 39 176.609 176.609 176.276 0.333 18195
900 1 7 . 1 1 39 39 ILE CA C 39 63.151 63.151 64.584 -1.433 18195
901 1 7 . 1 1 39 39 ILE CB C 39 38.401 38.401 38.357 0.044 18195
902 1 7 . 1 1 39 39 ILE H H 39 8.096 8.096 8.566 -0.470 18195
903 1 7 . 1 1 40 40 ASP N N 40 123.096 123.096 117.493 5.603 18195
904 1 7 . 1 1 40 40 ASP C C 40 179.109 179.109 178.351 0.758 18195
905 1 7 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.541 0.177 18195
906 1 7 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.330 0.219 18195
907 1 7 . 1 1 40 40 ASP H H 40 7.919 7.919 8.478 -0.559 18195
908 1 7 . 1 1 41 41 THR N N 41 115.411 115.411 116.334 -0.923 18195
909 1 7 . 1 1 41 41 THR HA H 41 3.933 3.933 4.233 -0.300 18195
910 1 7 . 1 1 41 41 THR C C 41 177.991 177.991 176.354 1.637 18195
911 1 7 . 1 1 41 41 THR CA C 41 66.222 66.222 65.354 0.868 18195
912 1 7 . 1 1 41 41 THR CB C 41 68.200 68.200 68.933 -0.733 18195
913 1 7 . 1 1 41 41 THR H H 41 8.747 8.747 8.334 0.413 18195
914 1 7 . 1 1 42 42 LEU N N 42 124.027 124.027 122.513 1.514 18195
915 1 7 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.292 -0.195 18195
916 1 7 . 1 1 42 42 LEU C C 42 177.171 177.171 177.061 0.110 18195
917 1 7 . 1 1 42 42 LEU CA C 42 59.055 59.055 59.022 0.033 18195
918 1 7 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.925 -0.573 18195
919 1 7 . 1 1 42 42 LEU H H 42 7.957 7.957 8.729 -0.772 18195
920 1 7 . 1 1 43 43 GLN N N 43 117.352 117.352 118.834 -1.482 18195
921 1 7 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.078 -0.051 18195
922 1 7 . 1 1 43 43 GLN C C 43 178.656 178.656 178.563 0.093 18195
923 1 7 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.435 0.854 18195
924 1 7 . 1 1 43 43 GLN CB C 43 28.094 28.094 27.853 0.241 18195
925 1 7 . 1 1 43 43 GLN H H 43 8.148 8.148 7.850 0.298 18195
926 1 7 . 1 1 44 44 ILE N N 44 118.482 118.482 119.710 -1.228 18195
927 1 7 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.914 -0.127 18195
928 1 7 . 1 1 44 44 ILE C C 44 178.168 178.168 177.655 0.513 18195
929 1 7 . 1 1 44 44 ILE CA C 44 64.302 64.302 62.177 2.125 18195
930 1 7 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.002 1.434 18195
931 1 7 . 1 1 44 44 ILE H H 44 7.423 7.423 7.306 0.117 18195
932 1 7 . 1 1 45 45 HIS N N 45 119.300 119.300 120.817 -1.517 18195
933 1 7 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.327 -0.130 18195
934 1 7 . 1 1 45 45 HIS C C 45 178.567 178.567 177.600 0.967 18195
935 1 7 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.729 1.470 18195
936 1 7 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.796 -1.607 18195
937 1 7 . 1 1 45 45 HIS H H 45 8.239 8.239 8.147 0.092 18195
938 1 7 . 1 1 46 46 VAL N N 46 116.775 116.775 119.164 -2.389 18195
939 1 7 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.511 0.204 18195
940 1 7 . 1 1 46 46 VAL C C 46 177.814 177.814 177.255 0.559 18195
941 1 7 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.545 0.979 18195
942 1 7 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.697 0.470 18195
943 1 7 . 1 1 46 46 VAL H H 46 9.050 9.050 8.648 0.402 18195
944 1 7 . 1 1 47 47 MET N N 47 117.452 117.452 116.385 1.067 18195
945 1 7 . 1 1 47 47 MET HA H 47 4.173 4.173 4.256 -0.083 18195
946 1 7 . 1 1 47 47 MET C C 47 176.758 176.758 177.020 -0.262 18195
947 1 7 . 1 1 47 47 MET CA C 47 58.225 58.225 57.409 0.816 18195
948 1 7 . 1 1 47 47 MET CB C 47 32.404 32.404 32.223 0.181 18195
949 1 7 . 1 1 47 47 MET H H 47 7.371 7.371 7.495 -0.124 18195
950 1 7 . 1 1 48 48 ASP N N 48 115.879 115.879 117.909 -2.030 18195
951 1 7 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.739 0.074 18195
952 1 7 . 1 1 48 48 ASP C C 48 174.927 174.927 176.344 -1.417 18195
953 1 7 . 1 1 48 48 ASP CA C 48 54.080 54.080 55.045 -0.965 18195
954 1 7 . 1 1 48 48 ASP CB C 48 42.564 42.564 42.011 0.553 18195
955 1 7 . 1 1 48 48 ASP H H 48 6.887 6.887 7.769 -0.882 18195
956 1 7 . 1 1 49 49 CYS N N 49 124.146 124.146 117.431 6.715 18195
957 1 7 . 1 1 49 49 CYS C C 49 175.518 175.518 174.136 1.382 18195
958 1 7 . 1 1 49 49 CYS CA C 49 61.381 61.381 59.004 2.377 18195
959 1 7 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.841 -0.779 18195
960 1 7 . 1 1 49 49 CYS H H 49 7.381 7.381 7.994 -0.613 18195
961 1 7 . 1 1 50 50 ILE N N 50 124.784 124.784 121.991 2.793 18195
962 1 7 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.322 -0.016 18195
963 1 7 . 1 1 50 50 ILE C C 50 175.110 175.110 175.671 -0.561 18195
964 1 7 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.273 2.034 18195
965 1 7 . 1 1 50 50 ILE CB C 50 39.015 39.015 36.437 2.578 18195
966 1 7 . 1 1 50 50 ILE H H 50 8.102 8.102 8.453 -0.351 18195
967 1 8 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.541 -0.250 18195
968 1 8 . 1 1 25 25 PRO C C 25 175.811 175.811 175.707 0.104 18195
969 1 8 . 1 1 25 25 PRO CA C 25 63.078 63.078 63.670 -0.592 18195
970 1 8 . 1 1 25 25 PRO CB C 25 32.104 32.104 31.844 0.260 18195
971 1 8 . 1 1 26 26 ILE N N 26 120.375 120.375 116.486 3.889 18195
972 1 8 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.559 -0.595 18195
973 1 8 . 1 1 26 26 ILE C C 26 175.801 175.801 174.051 1.750 18195
974 1 8 . 1 1 26 26 ILE CA C 26 60.521 60.521 58.965 1.556 18195
975 1 8 . 1 1 26 26 ILE CB C 26 39.333 39.333 41.720 -2.387 18195
976 1 8 . 1 1 26 26 ILE H H 26 7.899 7.899 7.888 0.011 18195
977 1 8 . 1 1 27 27 HIS N N 27 125.882 125.882 121.087 4.795 18195
978 1 8 . 1 1 27 27 HIS C C 27 173.582 173.582 173.295 0.287 18195
979 1 8 . 1 1 27 27 HIS CA C 27 55.003 55.003 54.783 0.220 18195
980 1 8 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.180 -3.673 18195
981 1 8 . 1 1 27 27 HIS H H 27 8.457 8.457 8.594 -0.137 18195
982 1 8 . 1 1 28 28 SER N N 28 116.161 116.161 118.984 -2.823 18195
983 1 8 . 1 1 28 28 SER C C 28 173.532 173.532 173.613 -0.081 18195
984 1 8 . 1 1 28 28 SER CA C 28 55.642 55.642 56.599 -0.957 18195
985 1 8 . 1 1 28 28 SER CB C 28 65.533 65.533 66.106 -0.573 18195
986 1 8 . 1 1 28 28 SER H H 28 8.027 8.027 7.862 0.165 18195
987 1 8 . 1 1 29 29 CYS N N 29 127.479 127.479 119.933 7.546 18195
988 1 8 . 1 1 29 29 CYS CA C 29 56.687 56.687 55.189 1.498 18195
989 1 8 . 1 1 29 29 CYS CB C 29 31.385 31.385 26.463 4.922 18195
990 1 8 . 1 1 29 29 CYS H H 29 8.947 8.947 8.657 0.290 18195
991 1 8 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.034 0.415 18195
992 1 8 . 1 1 30 30 PRO C C 30 176.651 176.651 177.860 -1.209 18195
993 1 8 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.595 -1.260 18195
994 1 8 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.847 0.577 18195
995 1 8 . 1 1 31 31 LYS N N 31 121.996 121.996 116.749 5.247 18195
996 1 8 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.151 0.201 18195
997 1 8 . 1 1 31 31 LYS C C 31 177.321 177.321 177.278 0.043 18195
998 1 8 . 1 1 31 31 LYS CA C 31 58.621 58.621 58.154 0.467 18195
999 1 8 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.593 1.069 18195
1000 1 8 . 1 1 31 31 LYS H H 31 9.303 9.303 8.189 1.114 18195
1001 1 8 . 1 1 32 32 CYS N N 32 117.337 117.337 113.685 3.652 18195
1002 1 8 . 1 1 32 32 CYS C C 32 177.051 177.051 174.394 2.657 18195
1003 1 8 . 1 1 32 32 CYS CA C 32 58.642 58.642 56.568 2.074 18195
1004 1 8 . 1 1 32 32 CYS CB C 32 32.802 32.802 28.297 4.505 18195
1005 1 8 . 1 1 32 32 CYS H H 32 8.556 8.556 8.084 0.472 18195
1006 1 8 . 1 1 33 33 GLY N N 33 113.158 113.158 110.813 2.345 18195
1007 1 8 . 1 1 33 33 GLY C C 33 173.711 173.711 173.746 -0.035 18195
1008 1 8 . 1 1 33 33 GLY CA C 33 46.179 46.179 46.483 -0.305 18195
1009 1 8 . 1 1 33 33 GLY H H 33 7.967 7.967 8.625 -0.658 18195
1010 1 8 . 1 1 34 34 GLU N N 34 125.156 125.156 124.361 0.795 18195
1011 1 8 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.416 -0.473 18195
1012 1 8 . 1 1 34 34 GLU C C 34 175.334 175.334 176.449 -1.115 18195
1013 1 8 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.072 0.976 18195
1014 1 8 . 1 1 34 34 GLU CB C 34 30.292 30.292 31.640 -1.348 18195
1015 1 8 . 1 1 34 34 GLU H H 34 8.654 8.654 8.309 0.345 18195
1016 1 8 . 1 1 35 35 VAL N N 35 124.618 124.618 115.821 8.797 18195
1017 1 8 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.388 -0.222 18195
1018 1 8 . 1 1 35 35 VAL CA C 35 62.733 62.733 61.708 1.025 18195
1019 1 8 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.585 -0.270 18195
1020 1 8 . 1 1 35 35 VAL H H 35 8.332 8.332 8.179 0.153 18195
1021 1 8 . 1 1 36 36 LEU N N 36 108.308 108.308 119.593 -11.285 18195
1022 1 8 . 1 1 36 36 LEU CA C 36 50.484 50.484 52.712 -2.228 18195
1023 1 8 . 1 1 36 36 LEU CB C 36 41.192 41.192 39.960 1.232 18195
1024 1 8 . 1 1 36 36 LEU H H 36 8.688 8.688 7.737 0.951 18195
1025 1 8 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.200 0.190 18195
1026 1 8 . 1 1 37 37 PRO C C 37 176.240 176.240 176.372 -0.132 18195
1027 1 8 . 1 1 37 37 PRO CA C 37 64.718 64.718 64.259 0.459 18195
1028 1 8 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.075 0.527 18195
1029 1 8 . 1 1 38 38 ASP N N 38 111.540 111.540 115.475 -3.935 18195
1030 1 8 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.787 -0.514 18195
1031 1 8 . 1 1 38 38 ASP C C 38 174.566 174.566 176.750 -2.184 18195
1032 1 8 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.964 -3.375 18195
1033 1 8 . 1 1 38 38 ASP CB C 38 42.381 42.381 42.353 0.028 18195
1034 1 8 . 1 1 38 38 ASP H H 38 7.107 7.107 8.517 -1.410 18195
1035 1 8 . 1 1 39 39 ILE N N 39 118.049 118.049 116.820 1.229 18195
1036 1 8 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.285 -0.722 18195
1037 1 8 . 1 1 39 39 ILE C C 39 176.609 176.609 176.040 0.569 18195
1038 1 8 . 1 1 39 39 ILE CA C 39 63.151 63.151 62.680 0.471 18195
1039 1 8 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.539 -1.138 18195
1040 1 8 . 1 1 39 39 ILE H H 39 8.096 8.096 7.838 0.258 18195
1041 1 8 . 1 1 40 40 ASP N N 40 123.096 123.096 122.592 0.504 18195
1042 1 8 . 1 1 40 40 ASP C C 40 179.109 179.109 178.090 1.019 18195
1043 1 8 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.296 0.422 18195
1044 1 8 . 1 1 40 40 ASP CB C 40 40.549 40.549 39.872 0.677 18195
1045 1 8 . 1 1 40 40 ASP H H 40 7.919 7.919 8.455 -0.536 18195
1046 1 8 . 1 1 41 41 THR N N 41 115.411 115.411 115.116 0.295 18195
1047 1 8 . 1 1 41 41 THR HA H 41 3.933 3.933 4.229 -0.296 18195
1048 1 8 . 1 1 41 41 THR C C 41 177.991 177.991 176.169 1.822 18195
1049 1 8 . 1 1 41 41 THR CA C 41 66.222 66.222 64.658 1.564 18195
1050 1 8 . 1 1 41 41 THR CB C 41 68.200 68.200 68.803 -0.604 18195
1051 1 8 . 1 1 41 41 THR H H 41 8.747 8.747 8.097 0.650 18195
1052 1 8 . 1 1 42 42 LEU N N 42 124.027 124.027 123.043 0.984 18195
1053 1 8 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.345 -0.248 18195
1054 1 8 . 1 1 42 42 LEU C C 42 177.171 177.171 178.254 -1.083 18195
1055 1 8 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.547 0.508 18195
1056 1 8 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.255 0.097 18195
1057 1 8 . 1 1 42 42 LEU H H 42 7.957 7.957 8.358 -0.401 18195
1058 1 8 . 1 1 43 43 GLN N N 43 117.352 117.352 117.925 -0.573 18195
1059 1 8 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.047 -0.020 18195
1060 1 8 . 1 1 43 43 GLN C C 43 178.656 178.656 178.976 -0.320 18195
1061 1 8 . 1 1 43 43 GLN CA C 43 59.289 59.289 59.091 0.198 18195
1062 1 8 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.639 -0.545 18195
1063 1 8 . 1 1 43 43 GLN H H 43 8.148 8.148 7.832 0.316 18195
1064 1 8 . 1 1 44 44 ILE N N 44 118.482 118.482 118.189 0.293 18195
1065 1 8 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.790 -0.003 18195
1066 1 8 . 1 1 44 44 ILE C C 44 178.168 178.168 177.399 0.769 18195
1067 1 8 . 1 1 44 44 ILE CA C 44 64.302 64.302 64.010 0.292 18195
1068 1 8 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.959 0.478 18195
1069 1 8 . 1 1 44 44 ILE H H 44 7.423 7.423 7.302 0.121 18195
1070 1 8 . 1 1 45 45 HIS N N 45 119.300 119.300 120.776 -1.476 18195
1071 1 8 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.204 -0.007 18195
1072 1 8 . 1 1 45 45 HIS C C 45 178.567 178.567 177.522 1.045 18195
1073 1 8 . 1 1 45 45 HIS CA C 45 60.199 60.199 59.104 1.095 18195
1074 1 8 . 1 1 45 45 HIS CB C 45 28.189 28.189 30.567 -2.378 18195
1075 1 8 . 1 1 45 45 HIS H H 45 8.239 8.239 7.867 0.372 18195
1076 1 8 . 1 1 46 46 VAL N N 46 116.775 116.775 119.902 -3.127 18195
1077 1 8 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.580 0.135 18195
1078 1 8 . 1 1 46 46 VAL C C 46 177.814 177.814 177.449 0.365 18195
1079 1 8 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.687 0.837 18195
1080 1 8 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.522 0.645 18195
1081 1 8 . 1 1 46 46 VAL H H 46 9.050 9.050 8.659 0.391 18195
1082 1 8 . 1 1 47 47 MET N N 47 117.452 117.452 115.418 2.034 18195
1083 1 8 . 1 1 47 47 MET HA H 47 4.173 4.173 4.275 -0.102 18195
1084 1 8 . 1 1 47 47 MET C C 47 176.758 176.758 177.376 -0.618 18195
1085 1 8 . 1 1 47 47 MET CA C 47 58.225 58.225 57.373 0.852 18195
1086 1 8 . 1 1 47 47 MET CB C 47 32.404 32.404 32.185 0.219 18195
1087 1 8 . 1 1 47 47 MET H H 47 7.371 7.371 7.526 -0.155 18195
1088 1 8 . 1 1 48 48 ASP N N 48 115.879 115.879 118.156 -2.277 18195
1089 1 8 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.714 0.099 18195
1090 1 8 . 1 1 48 48 ASP C C 48 174.927 174.927 176.356 -1.429 18195
1091 1 8 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.968 -0.888 18195
1092 1 8 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.953 0.611 18195
1093 1 8 . 1 1 48 48 ASP H H 48 6.887 6.887 7.896 -1.009 18195
1094 1 8 . 1 1 49 49 CYS N N 49 124.146 124.146 117.641 6.505 18195
1095 1 8 . 1 1 49 49 CYS C C 49 175.518 175.518 173.945 1.573 18195
1096 1 8 . 1 1 49 49 CYS CA C 49 61.381 61.381 57.993 3.388 18195
1097 1 8 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.327 -0.265 18195
1098 1 8 . 1 1 49 49 CYS H H 49 7.381 7.381 7.994 -0.613 18195
1099 1 8 . 1 1 50 50 ILE N N 50 124.784 124.784 122.608 2.176 18195
1100 1 8 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.346 -0.040 18195
1101 1 8 . 1 1 50 50 ILE C C 50 175.110 175.110 175.156 -0.046 18195
1102 1 8 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.397 1.910 18195
1103 1 8 . 1 1 50 50 ILE CB C 50 39.015 39.015 36.343 2.672 18195
1104 1 8 . 1 1 50 50 ILE H H 50 8.102 8.102 8.341 -0.239 18195
1105 1 9 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.563 -0.272 18195
1106 1 9 . 1 1 25 25 PRO C C 25 175.811 175.811 176.289 -0.478 18195
1107 1 9 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.295 0.782 18195
1108 1 9 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.436 -0.332 18195
1109 1 9 . 1 1 26 26 ILE N N 26 120.375 120.375 119.054 1.321 18195
1110 1 9 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.106 -0.142 18195
1111 1 9 . 1 1 26 26 ILE C C 26 175.801 175.801 176.137 -0.336 18195
1112 1 9 . 1 1 26 26 ILE CA C 26 60.521 60.521 61.239 -0.717 18195
1113 1 9 . 1 1 26 26 ILE CB C 26 39.333 39.333 39.311 0.022 18195
1114 1 9 . 1 1 26 26 ILE H H 26 7.899 7.899 8.100 -0.201 18195
1115 1 9 . 1 1 27 27 HIS N N 27 125.882 125.882 123.148 2.734 18195
1116 1 9 . 1 1 27 27 HIS C C 27 173.582 173.582 173.751 -0.169 18195
1117 1 9 . 1 1 27 27 HIS CA C 27 55.003 55.003 54.933 0.070 18195
1118 1 9 . 1 1 27 27 HIS CB C 27 29.507 29.507 27.241 2.267 18195
1119 1 9 . 1 1 27 27 HIS H H 27 8.457 8.457 7.884 0.573 18195
1120 1 9 . 1 1 28 28 SER N N 28 116.161 116.161 116.618 -0.457 18195
1121 1 9 . 1 1 28 28 SER C C 28 173.532 173.532 171.806 1.726 18195
1122 1 9 . 1 1 28 28 SER CA C 28 55.642 55.642 57.334 -1.692 18195
1123 1 9 . 1 1 28 28 SER CB C 28 65.533 65.533 65.334 0.199 18195
1124 1 9 . 1 1 28 28 SER H H 28 8.027 8.027 7.969 0.058 18195
1125 1 9 . 1 1 29 29 CYS N N 29 127.479 127.479 121.039 6.440 18195
1126 1 9 . 1 1 29 29 CYS CA C 29 56.687 56.687 56.736 -0.049 18195
1127 1 9 . 1 1 29 29 CYS CB C 29 31.385 31.385 29.824 1.561 18195
1128 1 9 . 1 1 29 29 CYS H H 29 8.947 8.947 8.629 0.318 18195
1129 1 9 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.139 0.310 18195
1130 1 9 . 1 1 30 30 PRO C C 30 176.651 176.651 177.370 -0.719 18195
1131 1 9 . 1 1 30 30 PRO CA C 30 64.335 64.335 64.856 -0.521 18195
1132 1 9 . 1 1 30 30 PRO CB C 30 32.424 32.424 32.091 0.333 18195
1133 1 9 . 1 1 31 31 LYS N N 31 121.996 121.996 116.610 5.386 18195
1134 1 9 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.194 0.158 18195
1135 1 9 . 1 1 31 31 LYS C C 31 177.321 177.321 177.114 0.207 18195
1136 1 9 . 1 1 31 31 LYS CA C 31 58.621 58.621 57.781 0.840 18195
1137 1 9 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.623 1.039 18195
1138 1 9 . 1 1 31 31 LYS H H 31 9.303 9.303 8.125 1.178 18195
1139 1 9 . 1 1 32 32 CYS N N 32 117.337 117.337 115.738 1.599 18195
1140 1 9 . 1 1 32 32 CYS C C 32 177.051 177.051 174.596 2.455 18195
1141 1 9 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.335 1.307 18195
1142 1 9 . 1 1 32 32 CYS CB C 32 32.802 32.802 28.672 4.130 18195
1143 1 9 . 1 1 32 32 CYS H H 32 8.556 8.556 7.890 0.666 18195
1144 1 9 . 1 1 33 33 GLY N N 33 113.158 113.158 110.042 3.116 18195
1145 1 9 . 1 1 33 33 GLY C C 33 173.711 173.711 173.705 0.006 18195
1146 1 9 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.894 0.285 18195
1147 1 9 . 1 1 33 33 GLY H H 33 7.967 7.967 8.701 -0.734 18195
1148 1 9 . 1 1 34 34 GLU N N 34 125.156 125.156 124.304 0.852 18195
1149 1 9 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.512 -0.569 18195
1150 1 9 . 1 1 34 34 GLU C C 34 175.334 175.334 176.468 -1.134 18195
1151 1 9 . 1 1 34 34 GLU CA C 34 58.048 58.048 56.986 1.062 18195
1152 1 9 . 1 1 34 34 GLU CB C 34 30.292 30.292 32.289 -1.997 18195
1153 1 9 . 1 1 34 34 GLU H H 34 8.654 8.654 8.083 0.571 18195
1154 1 9 . 1 1 35 35 VAL N N 35 124.618 124.618 115.190 9.428 18195
1155 1 9 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.464 -0.298 18195
1156 1 9 . 1 1 35 35 VAL CA C 35 62.733 62.733 61.288 1.444 18195
1157 1 9 . 1 1 35 35 VAL CB C 35 32.315 32.315 33.058 -0.743 18195
1158 1 9 . 1 1 35 35 VAL H H 35 8.332 8.332 7.888 0.444 18195
1159 1 9 . 1 1 36 36 LEU N N 36 108.308 108.308 124.720 -16.412 18195
1160 1 9 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.256 -2.772 18195
1161 1 9 . 1 1 36 36 LEU CB C 36 41.192 41.192 40.309 0.883 18195
1162 1 9 . 1 1 36 36 LEU H H 36 8.688 8.688 8.169 0.519 18195
1163 1 9 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.344 0.046 18195
1164 1 9 . 1 1 37 37 PRO C C 37 176.240 176.240 176.922 -0.682 18195
1165 1 9 . 1 1 37 37 PRO CA C 37 64.718 64.718 63.513 1.205 18195
1166 1 9 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.477 0.126 18195
1167 1 9 . 1 1 38 38 ASP N N 38 111.540 111.540 116.689 -5.149 18195
1168 1 9 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.765 -0.493 18195
1169 1 9 . 1 1 38 38 ASP C C 38 174.566 174.566 178.177 -3.611 18195
1170 1 9 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.399 -2.810 18195
1171 1 9 . 1 1 38 38 ASP CB C 38 42.381 42.381 40.332 2.049 18195
1172 1 9 . 1 1 38 38 ASP H H 38 7.107 7.107 8.386 -1.279 18195
1173 1 9 . 1 1 39 39 ILE N N 39 118.049 118.049 121.920 -3.871 18195
1174 1 9 . 1 1 39 39 ILE HA H 39 3.563 3.563 3.597 -0.034 18195
1175 1 9 . 1 1 39 39 ILE C C 39 176.609 176.609 177.394 -0.785 18195
1176 1 9 . 1 1 39 39 ILE CA C 39 63.151 63.151 66.152 -3.001 18195
1177 1 9 . 1 1 39 39 ILE CB C 39 38.401 38.401 38.030 0.371 18195
1178 1 9 . 1 1 39 39 ILE H H 39 8.096 8.096 8.524 -0.428 18195
1179 1 9 . 1 1 40 40 ASP N N 40 123.096 123.096 116.146 6.950 18195
1180 1 9 . 1 1 40 40 ASP C C 40 179.109 179.109 177.928 1.181 18195
1181 1 9 . 1 1 40 40 ASP CA C 40 57.718 57.718 56.903 0.815 18195
1182 1 9 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.586 -0.037 18195
1183 1 9 . 1 1 40 40 ASP H H 40 7.919 7.919 8.794 -0.875 18195
1184 1 9 . 1 1 41 41 THR N N 41 115.411 115.411 116.301 -0.890 18195
1185 1 9 . 1 1 41 41 THR HA H 41 3.933 3.933 4.219 -0.286 18195
1186 1 9 . 1 1 41 41 THR C C 41 177.991 177.991 176.189 1.802 18195
1187 1 9 . 1 1 41 41 THR CA C 41 66.222 66.222 66.833 -0.611 18195
1188 1 9 . 1 1 41 41 THR CB C 41 68.200 68.200 69.150 -0.950 18195
1189 1 9 . 1 1 41 41 THR H H 41 8.747 8.747 7.940 0.807 18195
1190 1 9 . 1 1 42 42 LEU N N 42 124.027 124.027 121.774 2.253 18195
1191 1 9 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.085 0.012 18195
1192 1 9 . 1 1 42 42 LEU C C 42 177.171 177.171 179.357 -2.186 18195
1193 1 9 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.404 0.651 18195
1194 1 9 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.007 0.345 18195
1195 1 9 . 1 1 42 42 LEU H H 42 7.957 7.957 7.730 0.227 18195
1196 1 9 . 1 1 43 43 GLN N N 43 117.352 117.352 119.399 -2.047 18195
1197 1 9 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.113 -0.086 18195
1198 1 9 . 1 1 43 43 GLN C C 43 178.656 178.656 178.498 0.158 18195
1199 1 9 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.600 0.689 18195
1200 1 9 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.667 -0.573 18195
1201 1 9 . 1 1 43 43 GLN H H 43 8.148 8.148 8.018 0.130 18195
1202 1 9 . 1 1 44 44 ILE N N 44 118.482 118.482 118.933 -0.451 18195
1203 1 9 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.878 -0.091 18195
1204 1 9 . 1 1 44 44 ILE C C 44 178.168 178.168 178.151 0.017 18195
1205 1 9 . 1 1 44 44 ILE CA C 44 64.302 64.302 63.795 0.507 18195
1206 1 9 . 1 1 44 44 ILE CB C 44 38.436 38.436 38.194 0.242 18195
1207 1 9 . 1 1 44 44 ILE H H 44 7.423 7.423 7.535 -0.112 18195
1208 1 9 . 1 1 45 45 HIS N N 45 119.300 119.300 120.150 -0.850 18195
1209 1 9 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.583 -0.386 18195
1210 1 9 . 1 1 45 45 HIS C C 45 178.567 178.567 177.379 1.188 18195
1211 1 9 . 1 1 45 45 HIS CA C 45 60.199 60.199 59.012 1.187 18195
1212 1 9 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.770 -1.581 18195
1213 1 9 . 1 1 45 45 HIS H H 45 8.239 8.239 8.789 -0.550 18195
1214 1 9 . 1 1 46 46 VAL N N 46 116.775 116.775 116.670 0.105 18195
1215 1 9 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.709 0.006 18195
1216 1 9 . 1 1 46 46 VAL C C 46 177.814 177.814 177.736 0.078 18195
1217 1 9 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.582 0.943 18195
1218 1 9 . 1 1 46 46 VAL CB C 46 32.167 32.167 30.758 1.409 18195
1219 1 9 . 1 1 46 46 VAL H H 46 9.050 9.050 7.361 1.689 18195
1220 1 9 . 1 1 47 47 MET N N 47 117.452 117.452 118.802 -1.350 18195
1221 1 9 . 1 1 47 47 MET HA H 47 4.173 4.173 4.216 -0.043 18195
1222 1 9 . 1 1 47 47 MET C C 47 176.758 176.758 177.166 -0.408 18195
1223 1 9 . 1 1 47 47 MET CA C 47 58.225 58.225 58.032 0.193 18195
1224 1 9 . 1 1 47 47 MET CB C 47 32.404 32.404 32.352 0.051 18195
1225 1 9 . 1 1 47 47 MET H H 47 7.371 7.371 7.730 -0.359 18195
1226 1 9 . 1 1 48 48 ASP N N 48 115.879 115.879 116.391 -0.512 18195
1227 1 9 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.606 0.207 18195
1228 1 9 . 1 1 48 48 ASP C C 48 174.927 174.927 176.589 -1.662 18195
1229 1 9 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.828 -0.748 18195
1230 1 9 . 1 1 48 48 ASP CB C 48 42.564 42.564 42.193 0.371 18195
1231 1 9 . 1 1 48 48 ASP H H 48 6.887 6.887 7.853 -0.966 18195
1232 1 9 . 1 1 49 49 CYS N N 49 124.146 124.146 119.482 4.664 18195
1233 1 9 . 1 1 49 49 CYS C C 49 175.518 175.518 173.705 1.813 18195
1234 1 9 . 1 1 49 49 CYS CA C 49 61.381 61.381 59.651 1.730 18195
1235 1 9 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.587 -0.525 18195
1236 1 9 . 1 1 49 49 CYS H H 49 7.381 7.381 8.236 -0.855 18195
1237 1 9 . 1 1 50 50 ILE N N 50 124.784 124.784 123.593 1.191 18195
1238 1 9 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.201 0.105 18195
1239 1 9 . 1 1 50 50 ILE C C 50 175.110 175.110 175.040 0.070 18195
1240 1 9 . 1 1 50 50 ILE CA C 50 61.307 61.307 60.175 1.132 18195
1241 1 9 . 1 1 50 50 ILE CB C 50 39.015 39.015 37.070 1.945 18195
1242 1 9 . 1 1 50 50 ILE H H 50 8.102 8.102 8.387 -0.285 18195
1243 1 10 . 1 1 25 25 PRO HA H 25 4.291 4.291 4.383 -0.092 18195
1244 1 10 . 1 1 25 25 PRO C C 25 175.811 175.811 175.567 0.244 18195
1245 1 10 . 1 1 25 25 PRO CA C 25 63.078 63.078 63.186 -0.108 18195
1246 1 10 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.236 -0.132 18195
1247 1 10 . 1 1 26 26 ILE N N 26 120.375 120.375 116.859 3.516 18195
1248 1 10 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.378 -0.414 18195
1249 1 10 . 1 1 26 26 ILE C C 26 175.801 175.801 174.054 1.747 18195
1250 1 10 . 1 1 26 26 ILE CA C 26 60.521 60.521 60.441 0.079 18195
1251 1 10 . 1 1 26 26 ILE CB C 26 39.333 39.333 39.814 -0.481 18195
1252 1 10 . 1 1 26 26 ILE H H 26 7.899 7.899 7.851 0.048 18195
1253 1 10 . 1 1 27 27 HIS N N 27 125.882 125.882 124.570 1.312 18195
1254 1 10 . 1 1 27 27 HIS C C 27 173.582 173.582 174.137 -0.555 18195
1255 1 10 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.278 -0.275 18195
1256 1 10 . 1 1 27 27 HIS CB C 27 29.507 29.507 33.705 -4.198 18195
1257 1 10 . 1 1 27 27 HIS H H 27 8.457 8.457 8.062 0.395 18195
1258 1 10 . 1 1 28 28 SER N N 28 116.161 116.161 118.920 -2.759 18195
1259 1 10 . 1 1 28 28 SER C C 28 173.532 173.532 174.115 -0.583 18195
1260 1 10 . 1 1 28 28 SER CA C 28 55.642 55.642 57.938 -2.296 18195
1261 1 10 . 1 1 28 28 SER CB C 28 65.533 65.533 64.572 0.961 18195
1262 1 10 . 1 1 28 28 SER H H 28 8.027 8.027 8.539 -0.512 18195
1263 1 10 . 1 1 29 29 CYS N N 29 127.479 127.479 121.292 6.187 18195
1264 1 10 . 1 1 29 29 CYS CA C 29 56.687 56.687 59.403 -2.716 18195
1265 1 10 . 1 1 29 29 CYS CB C 29 31.385 31.385 27.093 4.292 18195
1266 1 10 . 1 1 29 29 CYS H H 29 8.947 8.947 8.767 0.180 18195
1267 1 10 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.372 0.077 18195
1268 1 10 . 1 1 30 30 PRO C C 30 176.651 176.651 177.861 -1.210 18195
1269 1 10 . 1 1 30 30 PRO CA C 30 64.335 64.335 64.711 -0.376 18195
1270 1 10 . 1 1 30 30 PRO CB C 30 32.424 32.424 32.175 0.249 18195
1271 1 10 . 1 1 31 31 LYS N N 31 121.996 121.996 119.009 2.987 18195
1272 1 10 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.133 0.219 18195
1273 1 10 . 1 1 31 31 LYS C C 31 177.321 177.321 178.298 -0.977 18195
1274 1 10 . 1 1 31 31 LYS CA C 31 58.621 58.621 58.843 -0.222 18195
1275 1 10 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.259 1.403 18195
1276 1 10 . 1 1 31 31 LYS H H 31 9.303 9.303 8.591 0.712 18195
1277 1 10 . 1 1 32 32 CYS N N 32 117.337 117.337 115.994 1.343 18195
1278 1 10 . 1 1 32 32 CYS C C 32 177.051 177.051 175.985 1.066 18195
1279 1 10 . 1 1 32 32 CYS CA C 32 58.642 58.642 58.505 0.137 18195
1280 1 10 . 1 1 32 32 CYS CB C 32 32.802 32.802 27.249 5.553 18195
1281 1 10 . 1 1 32 32 CYS H H 32 8.556 8.556 8.610 -0.054 18195
1282 1 10 . 1 1 33 33 GLY N N 33 113.158 113.158 107.898 5.260 18195
1283 1 10 . 1 1 33 33 GLY C C 33 173.711 173.711 172.710 1.001 18195
1284 1 10 . 1 1 33 33 GLY CA C 33 46.179 46.179 44.698 1.481 18195
1285 1 10 . 1 1 33 33 GLY H H 33 7.967 7.967 7.458 0.509 18195
1286 1 10 . 1 1 34 34 GLU N N 34 125.156 125.156 116.389 8.767 18195
1287 1 10 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.452 -0.509 18195
1288 1 10 . 1 1 34 34 GLU C C 34 175.334 175.334 176.047 -0.713 18195
1289 1 10 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.482 0.566 18195
1290 1 10 . 1 1 34 34 GLU CB C 34 30.292 30.292 30.795 -0.503 18195
1291 1 10 . 1 1 34 34 GLU H H 34 8.654 8.654 8.505 0.149 18195
1292 1 10 . 1 1 35 35 VAL N N 35 124.618 124.618 115.012 9.606 18195
1293 1 10 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.305 -0.139 18195
1294 1 10 . 1 1 35 35 VAL CA C 35 62.733 62.733 62.484 0.249 18195
1295 1 10 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.212 0.103 18195
1296 1 10 . 1 1 35 35 VAL H H 35 8.332 8.332 8.012 0.320 18195
1297 1 10 . 1 1 36 36 LEU N N 36 108.308 108.308 122.308 -14.000 18195
1298 1 10 . 1 1 36 36 LEU CA C 36 50.484 50.484 52.008 -1.524 18195
1299 1 10 . 1 1 36 36 LEU CB C 36 41.192 41.192 42.040 -0.848 18195
1300 1 10 . 1 1 36 36 LEU H H 36 8.688 8.688 7.629 1.059 18195
1301 1 10 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.600 -0.210 18195
1302 1 10 . 1 1 37 37 PRO C C 37 176.240 176.240 175.835 0.405 18195
1303 1 10 . 1 1 37 37 PRO CA C 37 64.718 64.718 62.175 2.543 18195
1304 1 10 . 1 1 37 37 PRO CB C 37 32.603 32.603 31.957 0.646 18195
1305 1 10 . 1 1 38 38 ASP N N 38 111.540 111.540 124.543 -13.003 18195
1306 1 10 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.639 -0.367 18195
1307 1 10 . 1 1 38 38 ASP C C 38 174.566 174.566 175.665 -1.099 18195
1308 1 10 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.935 -3.346 18195
1309 1 10 . 1 1 38 38 ASP CB C 38 42.381 42.381 41.659 0.722 18195
1310 1 10 . 1 1 38 38 ASP H H 38 7.107 7.107 8.704 -1.597 18195
1311 1 10 . 1 1 39 39 ILE N N 39 118.049 118.049 117.193 0.856 18195
1312 1 10 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.241 -0.678 18195
1313 1 10 . 1 1 39 39 ILE C C 39 176.609 176.609 175.872 0.737 18195
1314 1 10 . 1 1 39 39 ILE CA C 39 63.151 63.151 61.999 1.152 18195
1315 1 10 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.106 -0.705 18195
1316 1 10 . 1 1 39 39 ILE H H 39 8.096 8.096 7.720 0.376 18195
1317 1 10 . 1 1 40 40 ASP N N 40 123.096 123.096 118.875 4.221 18195
1318 1 10 . 1 1 40 40 ASP C C 40 179.109 179.109 177.849 1.260 18195
1319 1 10 . 1 1 40 40 ASP CA C 40 57.718 57.718 56.653 1.065 18195
1320 1 10 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.570 -0.021 18195
1321 1 10 . 1 1 40 40 ASP H H 40 7.919 7.919 8.556 -0.637 18195
1322 1 10 . 1 1 41 41 THR N N 41 115.411 115.411 115.667 -0.256 18195
1323 1 10 . 1 1 41 41 THR HA H 41 3.933 3.933 4.176 -0.243 18195
1324 1 10 . 1 1 41 41 THR C C 41 177.991 177.991 176.735 1.256 18195
1325 1 10 . 1 1 41 41 THR CA C 41 66.222 66.222 65.468 0.754 18195
1326 1 10 . 1 1 41 41 THR CB C 41 68.200 68.200 68.651 -0.451 18195
1327 1 10 . 1 1 41 41 THR H H 41 8.747 8.747 8.161 0.586 18195
1328 1 10 . 1 1 42 42 LEU N N 42 124.027 124.027 121.285 2.742 18195
1329 1 10 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.337 -0.240 18195
1330 1 10 . 1 1 42 42 LEU C C 42 177.171 177.171 178.951 -1.780 18195
1331 1 10 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.221 0.834 18195
1332 1 10 . 1 1 42 42 LEU CB C 42 41.352 41.352 40.930 0.422 18195
1333 1 10 . 1 1 42 42 LEU H H 42 7.957 7.957 8.232 -0.275 18195
1334 1 10 . 1 1 43 43 GLN N N 43 117.352 117.352 118.526 -1.174 18195
1335 1 10 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.120 -0.093 18195
1336 1 10 . 1 1 43 43 GLN C C 43 178.656 178.656 179.114 -0.458 18195
1337 1 10 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.730 0.559 18195
1338 1 10 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.687 -0.593 18195
1339 1 10 . 1 1 43 43 GLN H H 43 8.148 8.148 7.762 0.386 18195
1340 1 10 . 1 1 44 44 ILE N N 44 118.482 118.482 119.762 -1.280 18195
1341 1 10 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.768 0.019 18195
1342 1 10 . 1 1 44 44 ILE C C 44 178.168 178.168 177.805 0.363 18195
1343 1 10 . 1 1 44 44 ILE CA C 44 64.302 64.302 64.880 -0.578 18195
1344 1 10 . 1 1 44 44 ILE CB C 44 38.436 38.436 38.009 0.427 18195
1345 1 10 . 1 1 44 44 ILE H H 44 7.423 7.423 8.550 -1.127 18195
1346 1 10 . 1 1 45 45 HIS N N 45 119.300 119.300 119.736 -0.436 18195
1347 1 10 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.258 -0.061 18195
1348 1 10 . 1 1 45 45 HIS C C 45 178.567 178.567 177.529 1.038 18195
1349 1 10 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.430 1.769 18195
1350 1 10 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.622 -1.433 18195
1351 1 10 . 1 1 45 45 HIS H H 45 8.239 8.239 8.123 0.116 18195
1352 1 10 . 1 1 46 46 VAL N N 46 116.775 116.775 120.033 -3.258 18195
1353 1 10 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.523 0.192 18195
1354 1 10 . 1 1 46 46 VAL C C 46 177.814 177.814 177.433 0.381 18195
1355 1 10 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.518 1.006 18195
1356 1 10 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.054 1.113 18195
1357 1 10 . 1 1 46 46 VAL H H 46 9.050 9.050 8.095 0.955 18195
1358 1 10 . 1 1 47 47 MET N N 47 117.452 117.452 115.677 1.775 18195
1359 1 10 . 1 1 47 47 MET HA H 47 4.173 4.173 4.213 -0.040 18195
1360 1 10 . 1 1 47 47 MET C C 47 176.758 176.758 176.915 -0.157 18195
1361 1 10 . 1 1 47 47 MET CA C 47 58.225 58.225 58.134 0.091 18195
1362 1 10 . 1 1 47 47 MET CB C 47 32.404 32.404 32.518 -0.114 18195
1363 1 10 . 1 1 47 47 MET H H 47 7.371 7.371 7.364 0.007 18195
1364 1 10 . 1 1 48 48 ASP N N 48 115.879 115.879 117.993 -2.114 18195
1365 1 10 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.744 0.069 18195
1366 1 10 . 1 1 48 48 ASP C C 48 174.927 174.927 176.101 -1.174 18195
1367 1 10 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.739 -0.659 18195
1368 1 10 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.693 0.871 18195
1369 1 10 . 1 1 48 48 ASP H H 48 6.887 6.887 7.806 -0.919 18195
1370 1 10 . 1 1 49 49 CYS N N 49 124.146 124.146 117.735 6.411 18195
1371 1 10 . 1 1 49 49 CYS C C 49 175.518 175.518 174.061 1.457 18195
1372 1 10 . 1 1 49 49 CYS CA C 49 61.381 61.381 57.778 3.603 18195
1373 1 10 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.062 -0.000 18195
1374 1 10 . 1 1 49 49 CYS H H 49 7.381 7.381 7.617 -0.236 18195
1375 1 10 . 1 1 50 50 ILE N N 50 124.784 124.784 123.386 1.398 18195
1376 1 10 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.347 -0.041 18195
1377 1 10 . 1 1 50 50 ILE C C 50 175.110 175.110 175.378 -0.268 18195
1378 1 10 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.824 1.483 18195
1379 1 10 . 1 1 50 50 ILE CB C 50 39.015 39.015 37.372 1.643 18195
1380 1 10 . 1 1 50 50 ILE H H 50 8.102 8.102 8.411 -0.309 18195
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 23 4.269 -0.558 4.327 18195
2 1 1 "Average Difference" HA 20 0.369 0.135 0.352 18195
3 1 1 "Average Difference" C 23 1.021 -0.061 1.042 18195
4 1 1 "Average Difference" CA 26 1.579 -0.101 1.607 18195
5 1 1 "Average Difference" CB 25 1.846 -0.218 1.871 18195
6 1 1 "Average Difference" HN 23 0.628 -0.067 0.638 18195
7 1 2 "Average Difference" N 23 4.337 -0.279 4.425 18195
8 1 2 "Average Difference" HA 20 0.292 0.112 0.277 18195
9 1 2 "Average Difference" C 23 0.923 -0.077 0.941 18195
10 1 2 "Average Difference" CA 26 1.502 -0.312 1.498 18195
11 1 2 "Average Difference" CB 25 1.650 -0.388 1.636 18195
12 1 2 "Average Difference" HN 23 0.655 -0.137 0.655 18195
13 1 3 "Average Difference" N 23 4.378 -1.221 4.299 18195
14 1 3 "Average Difference" HA 20 0.370 0.197 0.322 18195
15 1 3 "Average Difference" C 23 1.096 -0.019 1.120 18195
16 1 3 "Average Difference" CA 26 1.358 -0.396 1.325 18195
17 1 3 "Average Difference" CB 25 1.831 -0.424 1.818 18195
18 1 3 "Average Difference" HN 23 0.628 -0.016 0.642 18195
19 1 4 "Average Difference" N 23 4.602 -0.503 4.678 18195
20 1 4 "Average Difference" HA 20 0.295 0.128 0.273 18195
21 1 4 "Average Difference" C 23 0.960 -0.158 0.968 18195
22 1 4 "Average Difference" CA 26 1.431 -0.126 1.454 18195
23 1 4 "Average Difference" CB 25 1.876 -0.221 1.901 18195
24 1 4 "Average Difference" HN 23 0.556 -0.058 0.565 18195
25 1 5 "Average Difference" N 23 4.480 -0.886 4.490 18195
26 1 5 "Average Difference" HA 20 0.344 0.166 0.310 18195
27 1 5 "Average Difference" C 23 0.937 -0.081 0.954 18195
28 1 5 "Average Difference" CA 26 1.432 -0.258 1.436 18195
29 1 5 "Average Difference" CB 25 1.937 -0.208 1.965 18195
30 1 5 "Average Difference" HN 23 0.587 -0.103 0.590 18195
31 1 6 "Average Difference" N 23 4.731 -0.633 4.794 18195
32 1 6 "Average Difference" HA 20 0.319 0.140 0.294 18195
33 1 6 "Average Difference" C 23 0.957 -0.119 0.971 18195
34 1 6 "Average Difference" CA 26 1.332 -0.184 1.346 18195
35 1 6 "Average Difference" CB 25 1.972 -0.171 2.005 18195
36 1 6 "Average Difference" HN 23 0.567 -0.037 0.578 18195
37 1 7 "Average Difference" N 23 5.530 -0.542 5.627 18195
38 1 7 "Average Difference" HA 20 0.313 0.178 0.264 18195
39 1 7 "Average Difference" C 23 1.054 -0.085 1.074 18195
40 1 7 "Average Difference" CA 26 1.197 -0.367 1.162 18195
41 1 7 "Average Difference" CB 25 1.590 -0.193 1.611 18195
42 1 7 "Average Difference" HN 23 0.607 0.090 0.614 18195
43 1 8 "Average Difference" N 23 4.383 -1.113 4.335 18195
44 1 8 "Average Difference" HA 20 0.323 0.100 0.315 18195
45 1 8 "Average Difference" C 23 1.150 -0.163 1.163 18195
46 1 8 "Average Difference" CA 26 1.421 -0.393 1.393 18195
47 1 8 "Average Difference" CB 25 1.851 -0.214 1.876 18195
48 1 8 "Average Difference" HN 23 0.585 -0.020 0.598 18195
49 1 9 "Average Difference" N 23 5.010 -0.611 5.084 18195
50 1 9 "Average Difference" HA 20 0.250 0.096 0.237 18195
51 1 9 "Average Difference" C 23 1.358 0.064 1.387 18195
52 1 9 "Average Difference" CA 26 1.321 -0.074 1.345 18195
53 1 9 "Average Difference" CB 25 1.353 -0.424 1.311 18195
54 1 9 "Average Difference" HN 23 0.722 -0.023 0.738 18195
55 1 10 "Average Difference" N 23 5.607 -0.787 5.677 18195
56 1 10 "Average Difference" HA 20 0.281 0.156 0.239 18195
57 1 10 "Average Difference" C 23 0.983 -0.086 1.001 18195
58 1 10 "Average Difference" CA 26 1.515 -0.203 1.531 18195
59 1 10 "Average Difference" CB 25 1.791 -0.357 1.791 18195
60 1 10 "Average Difference" HN 23 0.637 -0.006 0.651 18195
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 18195
_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 25 25 PRO HA H 25 4.291 4.291 4.584 -0.293 18195
2 1 . 1 1 25 25 PRO C C 25 175.811 175.811 175.718 0.093 18195
3 1 . 1 1 25 25 PRO CA C 25 63.078 63.078 62.952 0.126 18195
4 1 . 1 1 25 25 PRO CB C 25 32.104 32.104 32.350 -0.246 18195
5 1 . 1 1 26 26 ILE N N 26 120.375 120.375 118.180 2.195 18195
6 1 . 1 1 26 26 ILE HA H 26 3.964 3.964 4.454 -0.490 18195
7 1 . 1 1 26 26 ILE C C 26 175.801 175.801 174.718 1.083 18195
8 1 . 1 1 26 26 ILE CA C 26 60.521 60.521 60.099 0.422 18195
9 1 . 1 1 26 26 ILE CB C 26 39.333 39.333 39.990 -0.657 18195
10 1 . 1 1 26 26 ILE H H 26 7.899 7.899 8.013 -0.114 18195
11 1 . 1 1 27 27 HIS N N 27 125.882 125.882 123.758 2.124 18195
12 1 . 1 1 27 27 HIS C C 27 173.582 173.582 173.501 0.081 18195
13 1 . 1 1 27 27 HIS CA C 27 55.003 55.003 55.395 -0.391 18195
14 1 . 1 1 27 27 HIS CB C 27 29.507 29.507 32.624 -3.117 18195
15 1 . 1 1 27 27 HIS H H 27 8.457 8.457 8.447 0.010 18195
16 1 . 1 1 28 28 SER N N 28 116.161 116.161 117.871 -1.710 18195
17 1 . 1 1 28 28 SER C C 28 173.532 173.532 173.302 0.230 18195
18 1 . 1 1 28 28 SER CA C 28 55.642 55.642 56.865 -1.223 18195
19 1 . 1 1 28 28 SER CB C 28 65.533 65.533 65.662 -0.129 18195
20 1 . 1 1 28 28 SER H H 28 8.027 8.027 8.064 -0.037 18195
21 1 . 1 1 29 29 CYS N N 29 127.479 127.479 122.113 5.366 18195
22 1 . 1 1 29 29 CYS CA C 29 56.687 56.687 57.620 -0.933 18195
23 1 . 1 1 29 29 CYS CB C 29 31.385 31.385 27.143 4.242 18195
24 1 . 1 1 29 29 CYS H H 29 8.947 8.947 8.786 0.161 18195
25 1 . 1 1 30 30 PRO HA H 30 4.449 4.449 4.161 0.288 18195
26 1 . 1 1 30 30 PRO C C 30 176.651 176.651 177.463 -0.812 18195
27 1 . 1 1 30 30 PRO CA C 30 64.335 64.335 65.178 -0.843 18195
28 1 . 1 1 30 30 PRO CB C 30 32.424 32.424 31.978 0.446 18195
29 1 . 1 1 31 31 LYS N N 31 121.996 121.996 116.952 5.044 18195
30 1 . 1 1 31 31 LYS HA H 31 4.352 4.352 4.209 0.144 18195
31 1 . 1 1 31 31 LYS C C 31 177.321 177.321 177.529 -0.208 18195
32 1 . 1 1 31 31 LYS CA C 31 58.621 58.621 57.824 0.797 18195
33 1 . 1 1 31 31 LYS CB C 31 33.662 33.662 32.560 1.102 18195
34 1 . 1 1 31 31 LYS H H 31 9.303 9.303 8.218 1.085 18195
35 1 . 1 1 32 32 CYS N N 32 117.337 117.337 116.080 1.257 18195
36 1 . 1 1 32 32 CYS C C 32 177.051 177.051 175.179 1.872 18195
37 1 . 1 1 32 32 CYS CA C 32 58.642 58.642 57.565 1.077 18195
38 1 . 1 1 32 32 CYS CB C 32 32.802 32.802 27.680 5.122 18195
39 1 . 1 1 32 32 CYS H H 32 8.556 8.556 8.119 0.437 18195
40 1 . 1 1 33 33 GLY N N 33 113.158 113.158 109.540 3.618 18195
41 1 . 1 1 33 33 GLY C C 33 173.711 173.711 173.485 0.226 18195
42 1 . 1 1 33 33 GLY CA C 33 46.179 46.179 45.654 0.525 18195
43 1 . 1 1 33 33 GLY H H 33 7.967 7.967 8.126 -0.159 18195
44 1 . 1 1 34 34 GLU N N 34 125.156 125.156 122.918 2.238 18195
45 1 . 1 1 34 34 GLU HA H 34 3.943 3.943 4.405 -0.462 18195
46 1 . 1 1 34 34 GLU C C 34 175.334 175.334 176.620 -1.286 18195
47 1 . 1 1 34 34 GLU CA C 34 58.048 58.048 57.177 0.871 18195
48 1 . 1 1 34 34 GLU CB C 34 30.292 30.292 31.079 -0.787 18195
49 1 . 1 1 34 34 GLU H H 34 8.654 8.654 8.336 0.318 18195
50 1 . 1 1 35 35 VAL N N 35 124.618 124.618 116.786 7.832 18195
51 1 . 1 1 35 35 VAL HA H 35 4.166 4.166 4.294 -0.128 18195
52 1 . 1 1 35 35 VAL CA C 35 62.733 62.733 62.364 0.368 18195
53 1 . 1 1 35 35 VAL CB C 35 32.315 32.315 32.458 -0.143 18195
54 1 . 1 1 35 35 VAL H H 35 8.332 8.332 7.940 0.392 18195
55 1 . 1 1 36 36 LEU N N 36 108.308 108.308 121.661 -13.353 18195
56 1 . 1 1 36 36 LEU CA C 36 50.484 50.484 53.220 -2.736 18195
57 1 . 1 1 36 36 LEU CB C 36 41.192 41.192 41.132 0.060 18195
58 1 . 1 1 36 36 LEU H H 36 8.688 8.688 7.804 0.884 18195
59 1 . 1 1 37 37 PRO HA H 37 4.390 4.390 4.472 -0.082 18195
60 1 . 1 1 37 37 PRO C C 37 176.240 176.240 176.541 -0.301 18195
61 1 . 1 1 37 37 PRO CA C 37 64.718 64.718 63.627 1.091 18195
62 1 . 1 1 37 37 PRO CB C 37 32.603 32.603 32.076 0.527 18195
63 1 . 1 1 38 38 ASP N N 38 111.540 111.540 117.590 -6.050 18195
64 1 . 1 1 38 38 ASP HA H 38 4.272 4.272 4.803 -0.531 18195
65 1 . 1 1 38 38 ASP C C 38 174.566 174.566 176.561 -1.995 18195
66 1 . 1 1 38 38 ASP CA C 38 52.589 52.589 55.327 -2.738 18195
67 1 . 1 1 38 38 ASP CB C 38 42.381 42.381 42.355 0.026 18195
68 1 . 1 1 38 38 ASP H H 38 7.107 7.107 8.500 -1.393 18195
69 1 . 1 1 39 39 ILE N N 39 118.049 118.049 116.168 1.881 18195
70 1 . 1 1 39 39 ILE HA H 39 3.563 3.563 4.167 -0.604 18195
71 1 . 1 1 39 39 ILE C C 39 176.609 176.609 176.452 0.157 18195
72 1 . 1 1 39 39 ILE CA C 39 63.151 63.151 62.709 0.442 18195
73 1 . 1 1 39 39 ILE CB C 39 38.401 38.401 39.185 -0.784 18195
74 1 . 1 1 39 39 ILE H H 39 8.096 8.096 7.920 0.176 18195
75 1 . 1 1 40 40 ASP N N 40 123.096 123.096 121.289 1.807 18195
76 1 . 1 1 40 40 ASP C C 40 179.109 179.109 177.837 1.272 18195
77 1 . 1 1 40 40 ASP CA C 40 57.718 57.718 57.149 0.569 18195
78 1 . 1 1 40 40 ASP CB C 40 40.549 40.549 40.311 0.238 18195
79 1 . 1 1 40 40 ASP H H 40 7.919 7.919 8.503 -0.584 18195
80 1 . 1 1 41 41 THR N N 41 115.411 115.411 115.373 0.038 18195
81 1 . 1 1 41 41 THR HA H 41 3.933 3.933 4.220 -0.287 18195
82 1 . 1 1 41 41 THR C C 41 177.991 177.991 176.460 1.531 18195
83 1 . 1 1 41 41 THR CA C 41 66.222 66.222 65.081 1.141 18195
84 1 . 1 1 41 41 THR CB C 41 68.200 68.200 68.810 -0.610 18195
85 1 . 1 1 41 41 THR H H 41 8.747 8.747 8.111 0.636 18195
86 1 . 1 1 42 42 LEU N N 42 124.027 124.027 122.488 1.539 18195
87 1 . 1 1 42 42 LEU HA H 42 4.097 4.097 4.230 -0.133 18195
88 1 . 1 1 42 42 LEU C C 42 177.171 177.171 178.205 -1.034 18195
89 1 . 1 1 42 42 LEU CA C 42 59.055 59.055 58.502 0.553 18195
90 1 . 1 1 42 42 LEU CB C 42 41.352 41.352 41.246 0.106 18195
91 1 . 1 1 42 42 LEU H H 42 7.957 7.957 8.263 -0.306 18195
92 1 . 1 1 43 43 GLN N N 43 117.352 117.352 118.263 -0.911 18195
93 1 . 1 1 43 43 GLN HA H 43 4.027 4.027 4.043 -0.016 18195
94 1 . 1 1 43 43 GLN C C 43 178.656 178.656 178.823 -0.167 18195
95 1 . 1 1 43 43 GLN CA C 43 59.289 59.289 58.782 0.508 18195
96 1 . 1 1 43 43 GLN CB C 43 28.094 28.094 28.509 -0.415 18195
97 1 . 1 1 43 43 GLN H H 43 8.148 8.148 7.720 0.428 18195
98 1 . 1 1 44 44 ILE N N 44 118.482 118.482 119.172 -0.690 18195
99 1 . 1 1 44 44 ILE HA H 44 3.787 3.787 3.840 -0.053 18195
100 1 . 1 1 44 44 ILE C C 44 178.168 178.168 177.829 0.339 18195
101 1 . 1 1 44 44 ILE CA C 44 64.302 64.302 63.809 0.493 18195
102 1 . 1 1 44 44 ILE CB C 44 38.436 38.436 37.697 0.739 18195
103 1 . 1 1 44 44 ILE H H 44 7.423 7.423 7.583 -0.160 18195
104 1 . 1 1 45 45 HIS N N 45 119.300 119.300 120.172 -0.872 18195
105 1 . 1 1 45 45 HIS HA H 45 4.197 4.197 4.361 -0.164 18195
106 1 . 1 1 45 45 HIS C C 45 178.567 178.567 177.640 0.927 18195
107 1 . 1 1 45 45 HIS CA C 45 60.199 60.199 58.589 1.610 18195
108 1 . 1 1 45 45 HIS CB C 45 28.189 28.189 29.804 -1.615 18195
109 1 . 1 1 45 45 HIS H H 45 8.239 8.239 8.085 0.154 18195
110 1 . 1 1 46 46 VAL N N 46 116.775 116.775 119.294 -2.519 18195
111 1 . 1 1 46 46 VAL HA H 46 3.715 3.715 3.591 0.124 18195
112 1 . 1 1 46 46 VAL C C 46 177.814 177.814 177.224 0.590 18195
113 1 . 1 1 46 46 VAL CA C 46 66.524 66.524 65.791 0.733 18195
114 1 . 1 1 46 46 VAL CB C 46 32.167 32.167 31.461 0.706 18195
115 1 . 1 1 46 46 VAL H H 46 9.050 9.050 8.271 0.779 18195
116 1 . 1 1 47 47 MET N N 47 117.452 117.452 116.228 1.224 18195
117 1 . 1 1 47 47 MET HA H 47 4.173 4.173 4.231 -0.058 18195
118 1 . 1 1 47 47 MET C C 47 176.758 176.758 177.110 -0.352 18195
119 1 . 1 1 47 47 MET CA C 47 58.225 58.225 57.835 0.390 18195
120 1 . 1 1 47 47 MET CB C 47 32.404 32.404 32.370 0.033 18195
121 1 . 1 1 47 47 MET H H 47 7.371 7.371 7.470 -0.099 18195
122 1 . 1 1 48 48 ASP N N 48 115.879 115.879 117.947 -2.068 18195
123 1 . 1 1 48 48 ASP HA H 48 4.813 4.813 4.702 0.111 18195
124 1 . 1 1 48 48 ASP C C 48 174.927 174.927 176.373 -1.446 18195
125 1 . 1 1 48 48 ASP CA C 48 54.080 54.080 54.860 -0.780 18195
126 1 . 1 1 48 48 ASP CB C 48 42.564 42.564 41.918 0.646 18195
127 1 . 1 1 48 48 ASP H H 48 6.887 6.887 7.877 -0.990 18195
128 1 . 1 1 49 49 CYS N N 49 124.146 124.146 117.937 6.209 18195
129 1 . 1 1 49 49 CYS C C 49 175.518 175.518 174.308 1.210 18195
130 1 . 1 1 49 49 CYS CA C 49 61.381 61.381 58.498 2.883 18195
131 1 . 1 1 49 49 CYS CB C 49 29.062 29.062 29.376 -0.314 18195
132 1 . 1 1 49 49 CYS H H 49 7.381 7.381 7.890 -0.509 18195
133 1 . 1 1 50 50 ILE N N 50 124.784 124.784 122.576 2.208 18195
134 1 . 1 1 50 50 ILE HA H 50 4.306 4.306 4.335 -0.029 18195
135 1 . 1 1 50 50 ILE C C 50 175.110 175.110 175.315 -0.205 18195
136 1 . 1 1 50 50 ILE CA C 50 61.307 61.307 59.987 1.320 18195
137 1 . 1 1 50 50 ILE CB C 50 39.015 39.015 37.148 1.867 18195
138 1 . 1 1 50 50 ILE H H 50 8.102 8.102 8.350 -0.248 18195
stop_
save_