data_17929
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17929
_Entry.PDB_ID 2LJC
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 17929
_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 7 7 ASP N N 24 125.566 125.566 122.414 3.152 17929
2 1 1 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.645 -1.315 17929
3 1 1 . 1 1 7 7 ASP H H 24 8.429 8.429 8.529 -0.100 17929
4 1 1 . 1 1 9 9 LEU N N 26 119.147 119.147 118.592 0.555 17929
5 1 1 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.797 0.691 17929
6 1 1 . 1 1 9 9 LEU H H 26 8.190 8.190 8.035 0.155 17929
7 1 1 . 1 1 10 10 VAL N N 27 121.008 121.008 118.305 2.703 17929
8 1 1 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.427 -0.940 17929
9 1 1 . 1 1 10 10 VAL H H 27 7.255 7.255 7.577 -0.322 17929
10 1 1 . 1 1 11 11 VAL N N 28 123.961 123.961 119.333 4.628 17929
11 1 1 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.306 2.280 17929
12 1 1 . 1 1 11 11 VAL H H 28 8.171 8.171 7.478 0.693 17929
13 1 1 . 1 1 12 12 ALA N N 29 121.779 121.779 122.381 -0.602 17929
14 1 1 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.495 0.401 17929
15 1 1 . 1 1 12 12 ALA H H 29 8.418 8.418 8.087 0.331 17929
16 1 1 . 1 1 13 13 ALA N N 30 118.633 118.633 120.500 -1.867 17929
17 1 1 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.046 0.435 17929
18 1 1 . 1 1 13 13 ALA H H 30 8.636 8.636 7.609 1.027 17929
19 1 1 . 1 1 14 14 SER N N 31 119.981 119.981 115.092 4.889 17929
20 1 1 . 1 1 14 14 SER CA C 31 63.672 63.672 61.615 2.057 17929
21 1 1 . 1 1 14 14 SER H H 31 8.267 8.267 7.500 0.767 17929
22 1 1 . 1 1 15 15 ILE N N 32 122.292 122.292 120.804 1.488 17929
23 1 1 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.147 0.469 17929
24 1 1 . 1 1 15 15 ILE H H 32 7.797 7.797 8.264 -0.467 17929
25 1 1 . 1 1 16 16 ILE N N 33 121.008 121.008 118.942 2.066 17929
26 1 1 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.682 0.856 17929
27 1 1 . 1 1 16 16 ILE H H 33 7.996 7.996 7.399 0.597 17929
28 1 1 . 1 1 17 17 GLY N N 34 123.769 123.769 108.715 15.054 17929
29 1 1 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.431 -0.167 17929
30 1 1 . 1 1 17 17 GLY H H 34 8.061 8.061 7.967 0.094 17929
31 1 1 . 1 1 19 19 LEU N N 36 120.377 120.377 120.834 -0.457 17929
32 1 1 . 1 1 19 19 LEU H H 36 8.113 8.113 7.386 0.727 17929
33 1 1 . 1 1 20 20 HIS N N 37 118.796 118.796 117.680 1.116 17929
34 1 1 . 1 1 20 20 HIS H H 37 9.052 9.052 7.856 1.196 17929
35 1 1 . 1 1 22 22 ILE N N 39 121.245 121.245 118.654 2.591 17929
36 1 1 . 1 1 22 22 ILE H H 39 8.200 8.200 7.661 0.539 17929
37 1 1 . 1 1 23 23 ALA N N 40 121.330 121.330 120.379 0.951 17929
38 1 1 . 1 1 23 23 ALA H H 40 8.835 8.835 8.071 0.764 17929
39 1 1 . 1 1 24 24 TRP N N 41 119.054 119.054 121.200 -2.146 17929
40 1 1 . 1 1 24 24 TRP H H 41 8.520 8.520 7.915 0.605 17929
41 1 1 . 1 1 25 25 THR N N 42 117.474 117.474 113.719 3.755 17929
42 1 1 . 1 1 25 25 THR H H 42 8.068 8.068 7.560 0.508 17929
43 1 1 . 1 1 26 26 ILE N N 43 120.749 120.749 115.445 5.304 17929
44 1 1 . 1 1 26 26 ILE H H 43 8.020 8.020 7.413 0.607 17929
45 1 1 . 1 1 27 27 GLY N N 44 107.156 107.156 108.298 -1.142 17929
46 1 1 . 1 1 27 27 GLY H H 44 8.067 8.067 7.487 0.580 17929
47 1 1 . 1 1 28 28 HIS N N 45 121.329 121.329 122.713 -1.384 17929
48 1 1 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.172 1.294 17929
49 1 1 . 1 1 28 28 HIS H H 45 7.815 7.815 8.025 -0.210 17929
50 1 1 . 1 1 29 29 LEU N N 46 119.724 119.724 118.776 0.948 17929
51 1 1 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.609 -0.352 17929
52 1 1 . 1 1 29 29 LEU H H 46 8.075 8.075 7.633 0.442 17929
53 1 1 . 1 1 30 30 ASN N N 47 117.028 117.028 118.311 -1.283 17929
54 1 1 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.313 -1.402 17929
55 1 1 . 1 1 30 30 ASN H H 47 7.995 7.995 7.783 0.212 17929
56 1 1 . 1 1 31 31 GLN N N 48 118.954 118.954 119.784 -0.830 17929
57 1 1 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.534 -1.549 17929
58 1 1 . 1 1 31 31 GLN H H 48 7.672 7.672 7.640 0.032 17929
59 1 1 . 1 1 32 32 ILE N N 49 119.836 119.836 119.024 0.812 17929
60 1 1 . 1 1 32 32 ILE H H 49 7.679 7.679 7.261 0.418 17929
61 1 1 . 1 1 33 33 LYS N N 50 124.429 124.429 119.178 5.251 17929
62 1 1 . 1 1 33 33 LYS H H 50 8.018 8.018 7.751 0.267 17929
63 1 2 . 1 1 7 7 ASP N N 24 125.566 125.566 121.563 4.003 17929
64 1 2 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.431 -1.101 17929
65 1 2 . 1 1 7 7 ASP H H 24 8.429 8.429 8.398 0.031 17929
66 1 2 . 1 1 9 9 LEU N N 26 119.147 119.147 118.442 0.705 17929
67 1 2 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.777 0.711 17929
68 1 2 . 1 1 9 9 LEU H H 26 8.190 8.190 7.898 0.292 17929
69 1 2 . 1 1 10 10 VAL N N 27 121.008 121.008 118.166 2.842 17929
70 1 2 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.650 -1.163 17929
71 1 2 . 1 1 10 10 VAL H H 27 7.255 7.255 8.148 -0.893 17929
72 1 2 . 1 1 11 11 VAL N N 28 123.961 123.961 119.391 4.570 17929
73 1 2 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.305 2.281 17929
74 1 2 . 1 1 11 11 VAL H H 28 8.171 8.171 7.703 0.468 17929
75 1 2 . 1 1 12 12 ALA N N 29 121.779 121.779 122.381 -0.602 17929
76 1 2 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.565 0.331 17929
77 1 2 . 1 1 12 12 ALA H H 29 8.418 8.418 8.197 0.221 17929
78 1 2 . 1 1 13 13 ALA N N 30 118.633 118.633 120.425 -1.792 17929
79 1 2 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.107 0.374 17929
80 1 2 . 1 1 13 13 ALA H H 30 8.636 8.636 7.615 1.021 17929
81 1 2 . 1 1 14 14 SER N N 31 119.981 119.981 115.058 4.923 17929
82 1 2 . 1 1 14 14 SER CA C 31 63.672 63.672 61.579 2.093 17929
83 1 2 . 1 1 14 14 SER H H 31 8.267 8.267 7.482 0.785 17929
84 1 2 . 1 1 15 15 ILE N N 32 122.292 122.292 121.598 0.694 17929
85 1 2 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.247 0.369 17929
86 1 2 . 1 1 15 15 ILE H H 32 7.797 7.797 8.260 -0.463 17929
87 1 2 . 1 1 16 16 ILE N N 33 121.008 121.008 118.813 2.195 17929
88 1 2 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.221 0.317 17929
89 1 2 . 1 1 16 16 ILE H H 33 7.996 7.996 7.604 0.392 17929
90 1 2 . 1 1 17 17 GLY N N 34 123.769 123.769 108.264 15.505 17929
91 1 2 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.302 -0.038 17929
92 1 2 . 1 1 17 17 GLY H H 34 8.061 8.061 7.872 0.189 17929
93 1 2 . 1 1 19 19 LEU N N 36 120.377 120.377 120.666 -0.289 17929
94 1 2 . 1 1 19 19 LEU H H 36 8.113 8.113 7.483 0.630 17929
95 1 2 . 1 1 20 20 HIS N N 37 118.796 118.796 116.483 2.313 17929
96 1 2 . 1 1 20 20 HIS H H 37 9.052 9.052 7.859 1.193 17929
97 1 2 . 1 1 22 22 ILE N N 39 121.245 121.245 117.597 3.648 17929
98 1 2 . 1 1 22 22 ILE H H 39 8.200 8.200 7.846 0.354 17929
99 1 2 . 1 1 23 23 ALA N N 40 121.330 121.330 121.693 -0.363 17929
100 1 2 . 1 1 23 23 ALA H H 40 8.835 8.835 7.556 1.279 17929
101 1 2 . 1 1 24 24 TRP N N 41 119.054 119.054 121.114 -2.060 17929
102 1 2 . 1 1 24 24 TRP H H 41 8.520 8.520 7.922 0.598 17929
103 1 2 . 1 1 25 25 THR N N 42 117.474 117.474 114.404 3.070 17929
104 1 2 . 1 1 25 25 THR H H 42 8.068 8.068 7.477 0.591 17929
105 1 2 . 1 1 26 26 ILE N N 43 120.749 120.749 117.080 3.669 17929
106 1 2 . 1 1 26 26 ILE H H 43 8.020 8.020 7.388 0.632 17929
107 1 2 . 1 1 27 27 GLY N N 44 107.156 107.156 108.451 -1.295 17929
108 1 2 . 1 1 27 27 GLY H H 44 8.067 8.067 7.756 0.311 17929
109 1 2 . 1 1 28 28 HIS N N 45 121.329 121.329 123.085 -1.756 17929
110 1 2 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.534 -0.068 17929
111 1 2 . 1 1 28 28 HIS H H 45 7.815 7.815 8.214 -0.399 17929
112 1 2 . 1 1 29 29 LEU N N 46 119.724 119.724 118.064 1.660 17929
113 1 2 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.941 -0.683 17929
114 1 2 . 1 1 29 29 LEU H H 46 8.075 8.075 7.684 0.391 17929
115 1 2 . 1 1 30 30 ASN N N 47 117.028 117.028 118.229 -1.201 17929
116 1 2 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.107 -1.196 17929
117 1 2 . 1 1 30 30 ASN H H 47 7.995 7.995 8.178 -0.183 17929
118 1 2 . 1 1 31 31 GLN N N 48 118.954 118.954 119.998 -1.044 17929
119 1 2 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.442 -1.457 17929
120 1 2 . 1 1 31 31 GLN H H 48 7.672 7.672 7.488 0.184 17929
121 1 2 . 1 1 32 32 ILE N N 49 119.836 119.836 118.084 1.752 17929
122 1 2 . 1 1 32 32 ILE H H 49 7.679 7.679 7.521 0.158 17929
123 1 2 . 1 1 33 33 LYS N N 50 124.429 124.429 119.209 5.220 17929
124 1 2 . 1 1 33 33 LYS H H 50 8.018 8.018 8.056 -0.038 17929
125 1 3 . 1 1 7 7 ASP N N 24 125.566 125.566 121.890 3.676 17929
126 1 3 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.477 -1.147 17929
127 1 3 . 1 1 7 7 ASP H H 24 8.429 8.429 8.432 -0.003 17929
128 1 3 . 1 1 9 9 LEU N N 26 119.147 119.147 120.259 -1.112 17929
129 1 3 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.842 0.646 17929
130 1 3 . 1 1 9 9 LEU H H 26 8.190 8.190 7.938 0.252 17929
131 1 3 . 1 1 10 10 VAL N N 27 121.008 121.008 118.276 2.732 17929
132 1 3 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.145 -0.658 17929
133 1 3 . 1 1 10 10 VAL H H 27 7.255 7.255 7.399 -0.144 17929
134 1 3 . 1 1 11 11 VAL N N 28 123.961 123.961 118.958 5.003 17929
135 1 3 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.131 2.455 17929
136 1 3 . 1 1 11 11 VAL H H 28 8.171 8.171 7.463 0.708 17929
137 1 3 . 1 1 12 12 ALA N N 29 121.779 121.779 122.536 -0.757 17929
138 1 3 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.371 0.525 17929
139 1 3 . 1 1 12 12 ALA H H 29 8.418 8.418 7.701 0.717 17929
140 1 3 . 1 1 13 13 ALA N N 30 118.633 118.633 120.579 -1.946 17929
141 1 3 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.112 0.369 17929
142 1 3 . 1 1 13 13 ALA H H 30 8.636 8.636 7.633 1.003 17929
143 1 3 . 1 1 14 14 SER N N 31 119.981 119.981 115.001 4.980 17929
144 1 3 . 1 1 14 14 SER CA C 31 63.672 63.672 61.477 2.195 17929
145 1 3 . 1 1 14 14 SER H H 31 8.267 8.267 7.528 0.739 17929
146 1 3 . 1 1 15 15 ILE N N 32 122.292 122.292 121.666 0.626 17929
147 1 3 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.226 0.390 17929
148 1 3 . 1 1 15 15 ILE H H 32 7.797 7.797 8.005 -0.208 17929
149 1 3 . 1 1 16 16 ILE N N 33 121.008 121.008 118.939 2.069 17929
150 1 3 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.264 0.274 17929
151 1 3 . 1 1 16 16 ILE H H 33 7.996 7.996 7.557 0.439 17929
152 1 3 . 1 1 17 17 GLY N N 34 123.769 123.769 108.164 15.605 17929
153 1 3 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.360 -0.096 17929
154 1 3 . 1 1 17 17 GLY H H 34 8.061 8.061 8.093 -0.032 17929
155 1 3 . 1 1 19 19 LEU N N 36 120.377 120.377 120.407 -0.030 17929
156 1 3 . 1 1 19 19 LEU H H 36 8.113 8.113 7.366 0.747 17929
157 1 3 . 1 1 20 20 HIS N N 37 118.796 118.796 117.364 1.432 17929
158 1 3 . 1 1 20 20 HIS H H 37 9.052 9.052 7.770 1.282 17929
159 1 3 . 1 1 22 22 ILE N N 39 121.245 121.245 116.531 4.714 17929
160 1 3 . 1 1 22 22 ILE H H 39 8.200 8.200 7.972 0.228 17929
161 1 3 . 1 1 23 23 ALA N N 40 121.330 121.330 122.703 -1.373 17929
162 1 3 . 1 1 23 23 ALA H H 40 8.835 8.835 7.479 1.356 17929
163 1 3 . 1 1 24 24 TRP N N 41 119.054 119.054 120.825 -1.771 17929
164 1 3 . 1 1 24 24 TRP H H 41 8.520 8.520 8.467 0.053 17929
165 1 3 . 1 1 25 25 THR N N 42 117.474 117.474 114.154 3.320 17929
166 1 3 . 1 1 25 25 THR H H 42 8.068 8.068 7.557 0.511 17929
167 1 3 . 1 1 26 26 ILE N N 43 120.749 120.749 117.803 2.946 17929
168 1 3 . 1 1 26 26 ILE H H 43 8.020 8.020 7.458 0.562 17929
169 1 3 . 1 1 27 27 GLY N N 44 107.156 107.156 108.501 -1.345 17929
170 1 3 . 1 1 27 27 GLY H H 44 8.067 8.067 7.747 0.320 17929
171 1 3 . 1 1 28 28 HIS N N 45 121.329 121.329 123.070 -1.741 17929
172 1 3 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.379 1.087 17929
173 1 3 . 1 1 28 28 HIS H H 45 7.815 7.815 7.960 -0.145 17929
174 1 3 . 1 1 29 29 LEU N N 46 119.724 119.724 118.860 0.864 17929
175 1 3 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.749 -0.491 17929
176 1 3 . 1 1 29 29 LEU H H 46 8.075 8.075 7.687 0.388 17929
177 1 3 . 1 1 30 30 ASN N N 47 117.028 117.028 118.081 -1.053 17929
178 1 3 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.972 -1.061 17929
179 1 3 . 1 1 30 30 ASN H H 47 7.995 7.995 8.235 -0.240 17929
180 1 3 . 1 1 31 31 GLN N N 48 118.954 118.954 120.324 -1.370 17929
181 1 3 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.601 -1.616 17929
182 1 3 . 1 1 31 31 GLN H H 48 7.672 7.672 7.529 0.143 17929
183 1 3 . 1 1 32 32 ILE N N 49 119.836 119.836 117.923 1.913 17929
184 1 3 . 1 1 32 32 ILE H H 49 7.679 7.679 7.220 0.459 17929
185 1 3 . 1 1 33 33 LYS N N 50 124.429 124.429 119.932 4.497 17929
186 1 3 . 1 1 33 33 LYS H H 50 8.018 8.018 7.929 0.089 17929
187 1 4 . 1 1 7 7 ASP N N 24 125.566 125.566 122.722 2.844 17929
188 1 4 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.411 -1.081 17929
189 1 4 . 1 1 7 7 ASP H H 24 8.429 8.429 8.551 -0.122 17929
190 1 4 . 1 1 9 9 LEU N N 26 119.147 119.147 117.922 1.225 17929
191 1 4 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.596 0.892 17929
192 1 4 . 1 1 9 9 LEU H H 26 8.190 8.190 7.816 0.374 17929
193 1 4 . 1 1 10 10 VAL N N 27 121.008 121.008 118.133 2.875 17929
194 1 4 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.370 -0.883 17929
195 1 4 . 1 1 10 10 VAL H H 27 7.255 7.255 7.730 -0.475 17929
196 1 4 . 1 1 11 11 VAL N N 28 123.961 123.961 119.303 4.658 17929
197 1 4 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.984 2.602 17929
198 1 4 . 1 1 11 11 VAL H H 28 8.171 8.171 7.241 0.930 17929
199 1 4 . 1 1 12 12 ALA N N 29 121.779 121.779 122.491 -0.712 17929
200 1 4 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.479 0.417 17929
201 1 4 . 1 1 12 12 ALA H H 29 8.418 8.418 7.816 0.602 17929
202 1 4 . 1 1 13 13 ALA N N 30 118.633 118.633 120.322 -1.689 17929
203 1 4 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.023 0.459 17929
204 1 4 . 1 1 13 13 ALA H H 30 8.636 8.636 7.641 0.995 17929
205 1 4 . 1 1 14 14 SER N N 31 119.981 119.981 114.633 5.348 17929
206 1 4 . 1 1 14 14 SER CA C 31 63.672 63.672 61.181 2.490 17929
207 1 4 . 1 1 14 14 SER H H 31 8.267 8.267 7.504 0.763 17929
208 1 4 . 1 1 15 15 ILE N N 32 122.292 122.292 121.672 0.620 17929
209 1 4 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.465 0.151 17929
210 1 4 . 1 1 15 15 ILE H H 32 7.797 7.797 8.123 -0.326 17929
211 1 4 . 1 1 16 16 ILE N N 33 121.008 121.008 119.217 1.791 17929
212 1 4 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.605 -0.066 17929
213 1 4 . 1 1 16 16 ILE H H 33 7.996 7.996 7.598 0.398 17929
214 1 4 . 1 1 17 17 GLY N N 34 123.769 123.769 108.340 15.429 17929
215 1 4 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.300 -0.036 17929
216 1 4 . 1 1 17 17 GLY H H 34 8.061 8.061 7.821 0.240 17929
217 1 4 . 1 1 19 19 LEU N N 36 120.377 120.377 120.870 -0.493 17929
218 1 4 . 1 1 19 19 LEU H H 36 8.113 8.113 8.091 0.022 17929
219 1 4 . 1 1 20 20 HIS N N 37 118.796 118.796 117.925 0.871 17929
220 1 4 . 1 1 20 20 HIS H H 37 9.052 9.052 8.856 0.196 17929
221 1 4 . 1 1 22 22 ILE N N 39 121.245 121.245 118.087 3.158 17929
222 1 4 . 1 1 22 22 ILE H H 39 8.200 8.200 7.777 0.423 17929
223 1 4 . 1 1 23 23 ALA N N 40 121.330 121.330 121.422 -0.092 17929
224 1 4 . 1 1 23 23 ALA H H 40 8.835 8.835 7.351 1.484 17929
225 1 4 . 1 1 24 24 TRP N N 41 119.054 119.054 120.929 -1.875 17929
226 1 4 . 1 1 24 24 TRP H H 41 8.520 8.520 7.703 0.817 17929
227 1 4 . 1 1 25 25 THR N N 42 117.474 117.474 114.679 2.795 17929
228 1 4 . 1 1 25 25 THR H H 42 8.068 8.068 7.351 0.717 17929
229 1 4 . 1 1 26 26 ILE N N 43 120.749 120.749 116.377 4.372 17929
230 1 4 . 1 1 26 26 ILE H H 43 8.020 8.020 7.370 0.650 17929
231 1 4 . 1 1 27 27 GLY N N 44 107.156 107.156 108.527 -1.371 17929
232 1 4 . 1 1 27 27 GLY H H 44 8.067 8.067 7.663 0.404 17929
233 1 4 . 1 1 28 28 HIS N N 45 121.329 121.329 123.057 -1.728 17929
234 1 4 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.383 1.083 17929
235 1 4 . 1 1 28 28 HIS H H 45 7.815 7.815 7.948 -0.133 17929
236 1 4 . 1 1 29 29 LEU N N 46 119.724 119.724 118.737 0.987 17929
237 1 4 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.675 -0.417 17929
238 1 4 . 1 1 29 29 LEU H H 46 8.075 8.075 7.657 0.418 17929
239 1 4 . 1 1 30 30 ASN N N 47 117.028 117.028 117.877 -0.849 17929
240 1 4 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.179 -1.268 17929
241 1 4 . 1 1 30 30 ASN H H 47 7.995 7.995 8.150 -0.155 17929
242 1 4 . 1 1 31 31 GLN N N 48 118.954 118.954 120.069 -1.115 17929
243 1 4 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.495 -1.510 17929
244 1 4 . 1 1 31 31 GLN H H 48 7.672 7.672 7.675 -0.003 17929
245 1 4 . 1 1 32 32 ILE N N 49 119.836 119.836 117.566 2.270 17929
246 1 4 . 1 1 32 32 ILE H H 49 7.679 7.679 7.300 0.379 17929
247 1 4 . 1 1 33 33 LYS N N 50 124.429 124.429 119.199 5.230 17929
248 1 4 . 1 1 33 33 LYS H H 50 8.018 8.018 7.914 0.104 17929
249 1 5 . 1 1 7 7 ASP N N 24 125.566 125.566 122.793 2.773 17929
250 1 5 . 1 1 7 7 ASP CA C 24 53.330 53.330 53.710 -0.380 17929
251 1 5 . 1 1 7 7 ASP H H 24 8.429 8.429 8.311 0.118 17929
252 1 5 . 1 1 9 9 LEU N N 26 119.147 119.147 118.911 0.236 17929
253 1 5 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.218 1.270 17929
254 1 5 . 1 1 9 9 LEU H H 26 8.190 8.190 7.965 0.225 17929
255 1 5 . 1 1 10 10 VAL N N 27 121.008 121.008 118.471 2.537 17929
256 1 5 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.038 -0.551 17929
257 1 5 . 1 1 10 10 VAL H H 27 7.255 7.255 7.285 -0.030 17929
258 1 5 . 1 1 11 11 VAL N N 28 123.961 123.961 119.340 4.621 17929
259 1 5 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.812 2.774 17929
260 1 5 . 1 1 11 11 VAL H H 28 8.171 8.171 7.940 0.231 17929
261 1 5 . 1 1 12 12 ALA N N 29 121.779 121.779 120.796 0.983 17929
262 1 5 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.972 0.924 17929
263 1 5 . 1 1 12 12 ALA H H 29 8.418 8.418 8.043 0.375 17929
264 1 5 . 1 1 13 13 ALA N N 30 118.633 118.633 120.029 -1.396 17929
265 1 5 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.984 0.497 17929
266 1 5 . 1 1 13 13 ALA H H 30 8.636 8.636 7.647 0.989 17929
267 1 5 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929
268 1 5 . 1 1 14 14 SER CA C 31 63.672 63.672 61.460 2.212 17929
269 1 5 . 1 1 14 14 SER H H 31 8.267 8.267 7.688 0.579 17929
270 1 5 . 1 1 15 15 ILE N N 32 122.292 122.292 120.731 1.561 17929
271 1 5 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.316 0.300 17929
272 1 5 . 1 1 15 15 ILE H H 32 7.797 7.797 7.623 0.174 17929
273 1 5 . 1 1 16 16 ILE N N 33 121.008 121.008 118.832 2.176 17929
274 1 5 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.507 1.031 17929
275 1 5 . 1 1 16 16 ILE H H 33 7.996 7.996 7.544 0.452 17929
276 1 5 . 1 1 17 17 GLY N N 34 123.769 123.769 108.764 15.005 17929
277 1 5 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.500 -0.236 17929
278 1 5 . 1 1 17 17 GLY H H 34 8.061 8.061 7.996 0.065 17929
279 1 5 . 1 1 19 19 LEU N N 36 120.377 120.377 121.699 -1.322 17929
280 1 5 . 1 1 19 19 LEU H H 36 8.113 8.113 7.309 0.804 17929
281 1 5 . 1 1 20 20 HIS N N 37 118.796 118.796 117.083 1.713 17929
282 1 5 . 1 1 20 20 HIS H H 37 9.052 9.052 7.901 1.151 17929
283 1 5 . 1 1 22 22 ILE N N 39 121.245 121.245 117.838 3.407 17929
284 1 5 . 1 1 22 22 ILE H H 39 8.200 8.200 7.949 0.251 17929
285 1 5 . 1 1 23 23 ALA N N 40 121.330 121.330 122.431 -1.101 17929
286 1 5 . 1 1 23 23 ALA H H 40 8.835 8.835 7.520 1.315 17929
287 1 5 . 1 1 24 24 TRP N N 41 119.054 119.054 121.005 -1.951 17929
288 1 5 . 1 1 24 24 TRP H H 41 8.520 8.520 8.158 0.362 17929
289 1 5 . 1 1 25 25 THR N N 42 117.474 117.474 114.558 2.916 17929
290 1 5 . 1 1 25 25 THR H H 42 8.068 8.068 7.561 0.507 17929
291 1 5 . 1 1 26 26 ILE N N 43 120.749 120.749 116.572 4.177 17929
292 1 5 . 1 1 26 26 ILE H H 43 8.020 8.020 7.455 0.565 17929
293 1 5 . 1 1 27 27 GLY N N 44 107.156 107.156 108.808 -1.652 17929
294 1 5 . 1 1 27 27 GLY H H 44 8.067 8.067 7.672 0.395 17929
295 1 5 . 1 1 28 28 HIS N N 45 121.329 121.329 123.021 -1.692 17929
296 1 5 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.093 0.374 17929
297 1 5 . 1 1 28 28 HIS H H 45 7.815 7.815 8.083 -0.268 17929
298 1 5 . 1 1 29 29 LEU N N 46 119.724 119.724 118.874 0.850 17929
299 1 5 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.752 -0.494 17929
300 1 5 . 1 1 29 29 LEU H H 46 8.075 8.075 7.648 0.427 17929
301 1 5 . 1 1 30 30 ASN N N 47 117.028 117.028 118.100 -1.072 17929
302 1 5 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.856 -0.945 17929
303 1 5 . 1 1 30 30 ASN H H 47 7.995 7.995 8.114 -0.119 17929
304 1 5 . 1 1 31 31 GLN N N 48 118.954 118.954 120.261 -1.307 17929
305 1 5 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.492 -1.507 17929
306 1 5 . 1 1 31 31 GLN H H 48 7.672 7.672 7.563 0.109 17929
307 1 5 . 1 1 32 32 ILE N N 49 119.836 119.836 118.264 1.572 17929
308 1 5 . 1 1 32 32 ILE H H 49 7.679 7.679 7.367 0.312 17929
309 1 5 . 1 1 33 33 LYS N N 50 124.429 124.429 119.265 5.164 17929
310 1 5 . 1 1 33 33 LYS H H 50 8.018 8.018 7.737 0.281 17929
311 1 6 . 1 1 7 7 ASP N N 24 125.566 125.566 122.248 3.318 17929
312 1 6 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.074 -0.744 17929
313 1 6 . 1 1 7 7 ASP H H 24 8.429 8.429 8.322 0.107 17929
314 1 6 . 1 1 9 9 LEU N N 26 119.147 119.147 119.020 0.127 17929
315 1 6 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.635 0.854 17929
316 1 6 . 1 1 9 9 LEU H H 26 8.190 8.190 7.860 0.330 17929
317 1 6 . 1 1 10 10 VAL N N 27 121.008 121.008 117.952 3.056 17929
318 1 6 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.013 -0.526 17929
319 1 6 . 1 1 10 10 VAL H H 27 7.255 7.255 7.303 -0.048 17929
320 1 6 . 1 1 11 11 VAL N N 28 123.961 123.961 119.147 4.814 17929
321 1 6 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.534 3.053 17929
322 1 6 . 1 1 11 11 VAL H H 28 8.171 8.171 7.910 0.261 17929
323 1 6 . 1 1 12 12 ALA N N 29 121.779 121.779 120.756 1.023 17929
324 1 6 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.893 1.003 17929
325 1 6 . 1 1 12 12 ALA H H 29 8.418 8.418 8.419 -0.001 17929
326 1 6 . 1 1 13 13 ALA N N 30 118.633 118.633 120.232 -1.599 17929
327 1 6 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.756 0.725 17929
328 1 6 . 1 1 13 13 ALA H H 30 8.636 8.636 7.550 1.086 17929
329 1 6 . 1 1 14 14 SER N N 31 119.981 119.981 114.655 5.326 17929
330 1 6 . 1 1 14 14 SER CA C 31 63.672 63.672 61.437 2.235 17929
331 1 6 . 1 1 14 14 SER H H 31 8.267 8.267 7.808 0.459 17929
332 1 6 . 1 1 15 15 ILE N N 32 122.292 122.292 120.704 1.588 17929
333 1 6 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.266 0.350 17929
334 1 6 . 1 1 15 15 ILE H H 32 7.797 7.797 7.462 0.335 17929
335 1 6 . 1 1 16 16 ILE N N 33 121.008 121.008 118.761 2.247 17929
336 1 6 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.497 1.041 17929
337 1 6 . 1 1 16 16 ILE H H 33 7.996 7.996 7.564 0.432 17929
338 1 6 . 1 1 17 17 GLY N N 34 123.769 123.769 108.935 14.834 17929
339 1 6 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.372 -0.108 17929
340 1 6 . 1 1 17 17 GLY H H 34 8.061 8.061 7.813 0.248 17929
341 1 6 . 1 1 19 19 LEU N N 36 120.377 120.377 120.624 -0.247 17929
342 1 6 . 1 1 19 19 LEU H H 36 8.113 8.113 7.301 0.812 17929
343 1 6 . 1 1 20 20 HIS N N 37 118.796 118.796 116.981 1.815 17929
344 1 6 . 1 1 20 20 HIS H H 37 9.052 9.052 7.815 1.237 17929
345 1 6 . 1 1 22 22 ILE N N 39 121.245 121.245 117.842 3.403 17929
346 1 6 . 1 1 22 22 ILE H H 39 8.200 8.200 7.981 0.219 17929
347 1 6 . 1 1 23 23 ALA N N 40 121.330 121.330 121.769 -0.439 17929
348 1 6 . 1 1 23 23 ALA H H 40 8.835 8.835 7.493 1.342 17929
349 1 6 . 1 1 24 24 TRP N N 41 119.054 119.054 121.059 -2.005 17929
350 1 6 . 1 1 24 24 TRP H H 41 8.520 8.520 7.857 0.663 17929
351 1 6 . 1 1 25 25 THR N N 42 117.474 117.474 114.368 3.106 17929
352 1 6 . 1 1 25 25 THR H H 42 8.068 8.068 7.496 0.572 17929
353 1 6 . 1 1 26 26 ILE N N 43 120.749 120.749 116.569 4.180 17929
354 1 6 . 1 1 26 26 ILE H H 43 8.020 8.020 7.407 0.613 17929
355 1 6 . 1 1 27 27 GLY N N 44 107.156 107.156 108.682 -1.526 17929
356 1 6 . 1 1 27 27 GLY H H 44 8.067 8.067 7.705 0.362 17929
357 1 6 . 1 1 28 28 HIS N N 45 121.329 121.329 123.088 -1.759 17929
358 1 6 . 1 1 28 28 HIS CA C 45 59.466 59.466 59.286 0.180 17929
359 1 6 . 1 1 28 28 HIS H H 45 7.815 7.815 7.928 -0.113 17929
360 1 6 . 1 1 29 29 LEU N N 46 119.724 119.724 117.882 1.842 17929
361 1 6 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.848 -0.590 17929
362 1 6 . 1 1 29 29 LEU H H 46 8.075 8.075 7.587 0.488 17929
363 1 6 . 1 1 30 30 ASN N N 47 117.028 117.028 117.776 -0.748 17929
364 1 6 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.359 -1.448 17929
365 1 6 . 1 1 30 30 ASN H H 47 7.995 7.995 8.191 -0.196 17929
366 1 6 . 1 1 31 31 GLN N N 48 118.954 118.954 119.997 -1.043 17929
367 1 6 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.462 -1.477 17929
368 1 6 . 1 1 31 31 GLN H H 48 7.672 7.672 7.538 0.134 17929
369 1 6 . 1 1 32 32 ILE N N 49 119.836 119.836 117.552 2.284 17929
370 1 6 . 1 1 32 32 ILE H H 49 7.679 7.679 7.469 0.210 17929
371 1 6 . 1 1 33 33 LYS N N 50 124.429 124.429 119.420 5.009 17929
372 1 6 . 1 1 33 33 LYS H H 50 8.018 8.018 7.446 0.572 17929
373 1 7 . 1 1 7 7 ASP N N 24 125.566 125.566 122.324 3.242 17929
374 1 7 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.076 -0.746 17929
375 1 7 . 1 1 7 7 ASP H H 24 8.429 8.429 8.328 0.101 17929
376 1 7 . 1 1 9 9 LEU N N 26 119.147 119.147 119.083 0.064 17929
377 1 7 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.501 0.987 17929
378 1 7 . 1 1 9 9 LEU H H 26 8.190 8.190 7.854 0.336 17929
379 1 7 . 1 1 10 10 VAL N N 27 121.008 121.008 118.024 2.984 17929
380 1 7 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.038 -0.551 17929
381 1 7 . 1 1 10 10 VAL H H 27 7.255 7.255 7.282 -0.027 17929
382 1 7 . 1 1 11 11 VAL N N 28 123.961 123.961 119.175 4.786 17929
383 1 7 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.591 2.995 17929
384 1 7 . 1 1 11 11 VAL H H 28 8.171 8.171 7.920 0.251 17929
385 1 7 . 1 1 12 12 ALA N N 29 121.779 121.779 120.706 1.073 17929
386 1 7 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.824 1.072 17929
387 1 7 . 1 1 12 12 ALA H H 29 8.418 8.418 8.103 0.315 17929
388 1 7 . 1 1 13 13 ALA N N 30 118.633 118.633 120.645 -2.012 17929
389 1 7 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.835 0.646 17929
390 1 7 . 1 1 13 13 ALA H H 30 8.636 8.636 7.437 1.199 17929
391 1 7 . 1 1 14 14 SER N N 31 119.981 119.981 115.108 4.873 17929
392 1 7 . 1 1 14 14 SER CA C 31 63.672 63.672 61.395 2.277 17929
393 1 7 . 1 1 14 14 SER H H 31 8.267 8.267 7.673 0.594 17929
394 1 7 . 1 1 15 15 ILE N N 32 122.292 122.292 121.062 1.230 17929
395 1 7 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.050 0.566 17929
396 1 7 . 1 1 15 15 ILE H H 32 7.797 7.797 7.342 0.455 17929
397 1 7 . 1 1 16 16 ILE N N 33 121.008 121.008 119.007 2.001 17929
398 1 7 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.998 0.540 17929
399 1 7 . 1 1 16 16 ILE H H 33 7.996 7.996 7.617 0.379 17929
400 1 7 . 1 1 17 17 GLY N N 34 123.769 123.769 108.779 14.990 17929
401 1 7 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.322 -0.058 17929
402 1 7 . 1 1 17 17 GLY H H 34 8.061 8.061 7.546 0.515 17929
403 1 7 . 1 1 19 19 LEU N N 36 120.377 120.377 121.389 -1.012 17929
404 1 7 . 1 1 19 19 LEU H H 36 8.113 8.113 7.501 0.612 17929
405 1 7 . 1 1 20 20 HIS N N 37 118.796 118.796 118.107 0.689 17929
406 1 7 . 1 1 20 20 HIS H H 37 9.052 9.052 8.758 0.294 17929
407 1 7 . 1 1 22 22 ILE N N 39 121.245 121.245 117.973 3.272 17929
408 1 7 . 1 1 22 22 ILE H H 39 8.200 8.200 7.971 0.229 17929
409 1 7 . 1 1 23 23 ALA N N 40 121.330 121.330 121.579 -0.249 17929
410 1 7 . 1 1 23 23 ALA H H 40 8.835 8.835 7.469 1.366 17929
411 1 7 . 1 1 24 24 TRP N N 41 119.054 119.054 120.931 -1.877 17929
412 1 7 . 1 1 24 24 TRP H H 41 8.520 8.520 7.722 0.798 17929
413 1 7 . 1 1 25 25 THR N N 42 117.474 117.474 114.575 2.899 17929
414 1 7 . 1 1 25 25 THR H H 42 8.068 8.068 7.423 0.645 17929
415 1 7 . 1 1 26 26 ILE N N 43 120.749 120.749 116.410 4.339 17929
416 1 7 . 1 1 26 26 ILE H H 43 8.020 8.020 7.394 0.626 17929
417 1 7 . 1 1 27 27 GLY N N 44 107.156 107.156 108.552 -1.396 17929
418 1 7 . 1 1 27 27 GLY H H 44 8.067 8.067 7.706 0.361 17929
419 1 7 . 1 1 28 28 HIS N N 45 121.329 121.329 123.030 -1.701 17929
420 1 7 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.786 0.680 17929
421 1 7 . 1 1 28 28 HIS H H 45 7.815 7.815 7.775 0.040 17929
422 1 7 . 1 1 29 29 LEU N N 46 119.724 119.724 117.884 1.840 17929
423 1 7 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.640 -0.382 17929
424 1 7 . 1 1 29 29 LEU H H 46 8.075 8.075 7.540 0.535 17929
425 1 7 . 1 1 30 30 ASN N N 47 117.028 117.028 116.643 0.385 17929
426 1 7 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.387 -0.476 17929
427 1 7 . 1 1 30 30 ASN H H 47 7.995 7.995 7.843 0.152 17929
428 1 7 . 1 1 31 31 GLN N N 48 118.954 118.954 119.994 -1.040 17929
429 1 7 . 1 1 31 31 GLN CA C 48 56.985 56.985 56.618 0.367 17929
430 1 7 . 1 1 31 31 GLN H H 48 7.672 7.672 7.694 -0.022 17929
431 1 7 . 1 1 32 32 ILE N N 49 119.836 119.836 124.017 -4.181 17929
432 1 7 . 1 1 32 32 ILE H H 49 7.679 7.679 8.374 -0.695 17929
433 1 7 . 1 1 33 33 LYS N N 50 124.429 124.429 120.923 3.506 17929
434 1 7 . 1 1 33 33 LYS H H 50 8.018 8.018 8.154 -0.136 17929
435 1 8 . 1 1 7 7 ASP N N 24 125.566 125.566 122.059 3.507 17929
436 1 8 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.188 -0.858 17929
437 1 8 . 1 1 7 7 ASP H H 24 8.429 8.429 8.211 0.218 17929
438 1 8 . 1 1 9 9 LEU N N 26 119.147 119.147 116.780 2.367 17929
439 1 8 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.720 0.768 17929
440 1 8 . 1 1 9 9 LEU H H 26 8.190 8.190 7.930 0.260 17929
441 1 8 . 1 1 10 10 VAL N N 27 121.008 121.008 118.948 2.060 17929
442 1 8 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.285 0.202 17929
443 1 8 . 1 1 10 10 VAL H H 27 7.255 7.255 7.755 -0.500 17929
444 1 8 . 1 1 11 11 VAL N N 28 123.961 123.961 119.119 4.842 17929
445 1 8 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.251 3.334 17929
446 1 8 . 1 1 11 11 VAL H H 28 8.171 8.171 7.775 0.396 17929
447 1 8 . 1 1 12 12 ALA N N 29 121.779 121.779 121.066 0.713 17929
448 1 8 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.959 0.937 17929
449 1 8 . 1 1 12 12 ALA H H 29 8.418 8.418 8.560 -0.142 17929
450 1 8 . 1 1 13 13 ALA N N 30 118.633 118.633 120.701 -2.068 17929
451 1 8 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.071 0.410 17929
452 1 8 . 1 1 13 13 ALA H H 30 8.636 8.636 7.573 1.063 17929
453 1 8 . 1 1 14 14 SER N N 31 119.981 119.981 114.485 5.496 17929
454 1 8 . 1 1 14 14 SER CA C 31 63.672 63.672 61.681 1.991 17929
455 1 8 . 1 1 14 14 SER H H 31 8.267 8.267 7.827 0.440 17929
456 1 8 . 1 1 15 15 ILE N N 32 122.292 122.292 120.785 1.507 17929
457 1 8 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.114 0.502 17929
458 1 8 . 1 1 15 15 ILE H H 32 7.797 7.797 7.495 0.302 17929
459 1 8 . 1 1 16 16 ILE N N 33 121.008 121.008 118.691 2.317 17929
460 1 8 . 1 1 16 16 ILE CA C 33 65.538 65.538 64.454 1.083 17929
461 1 8 . 1 1 16 16 ILE H H 33 7.996 7.996 7.555 0.441 17929
462 1 8 . 1 1 17 17 GLY N N 34 123.769 123.769 108.943 14.826 17929
463 1 8 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.443 -0.179 17929
464 1 8 . 1 1 17 17 GLY H H 34 8.061 8.061 7.914 0.147 17929
465 1 8 . 1 1 19 19 LEU N N 36 120.377 120.377 121.968 -1.591 17929
466 1 8 . 1 1 19 19 LEU H H 36 8.113 8.113 7.304 0.809 17929
467 1 8 . 1 1 20 20 HIS N N 37 118.796 118.796 117.204 1.592 17929
468 1 8 . 1 1 20 20 HIS H H 37 9.052 9.052 8.055 0.997 17929
469 1 8 . 1 1 22 22 ILE N N 39 121.245 121.245 117.335 3.910 17929
470 1 8 . 1 1 22 22 ILE H H 39 8.200 8.200 7.777 0.423 17929
471 1 8 . 1 1 23 23 ALA N N 40 121.330 121.330 122.550 -1.220 17929
472 1 8 . 1 1 23 23 ALA H H 40 8.835 8.835 7.358 1.477 17929
473 1 8 . 1 1 24 24 TRP N N 41 119.054 119.054 120.953 -1.899 17929
474 1 8 . 1 1 24 24 TRP H H 41 8.520 8.520 7.960 0.560 17929
475 1 8 . 1 1 25 25 THR N N 42 117.474 117.474 113.567 3.907 17929
476 1 8 . 1 1 25 25 THR H H 42 8.068 8.068 7.658 0.410 17929
477 1 8 . 1 1 26 26 ILE N N 43 120.749 120.749 115.325 5.424 17929
478 1 8 . 1 1 26 26 ILE H H 43 8.020 8.020 7.278 0.742 17929
479 1 8 . 1 1 27 27 GLY N N 44 107.156 107.156 108.723 -1.567 17929
480 1 8 . 1 1 27 27 GLY H H 44 8.067 8.067 7.782 0.285 17929
481 1 8 . 1 1 28 28 HIS N N 45 121.329 121.329 122.835 -1.506 17929
482 1 8 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.190 1.276 17929
483 1 8 . 1 1 28 28 HIS H H 45 7.815 7.815 7.733 0.082 17929
484 1 8 . 1 1 29 29 LEU N N 46 119.724 119.724 118.928 0.796 17929
485 1 8 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.661 -0.403 17929
486 1 8 . 1 1 29 29 LEU H H 46 8.075 8.075 7.797 0.278 17929
487 1 8 . 1 1 30 30 ASN N N 47 117.028 117.028 118.408 -1.380 17929
488 1 8 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.501 -1.590 17929
489 1 8 . 1 1 30 30 ASN H H 47 7.995 7.995 7.857 0.138 17929
490 1 8 . 1 1 31 31 GLN N N 48 118.954 118.954 119.951 -0.997 17929
491 1 8 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.554 -1.569 17929
492 1 8 . 1 1 31 31 GLN H H 48 7.672 7.672 7.590 0.082 17929
493 1 8 . 1 1 32 32 ILE N N 49 119.836 119.836 117.988 1.848 17929
494 1 8 . 1 1 32 32 ILE H H 49 7.679 7.679 7.289 0.390 17929
495 1 8 . 1 1 33 33 LYS N N 50 124.429 124.429 119.190 5.239 17929
496 1 8 . 1 1 33 33 LYS H H 50 8.018 8.018 7.817 0.201 17929
497 1 9 . 1 1 7 7 ASP N N 24 125.566 125.566 121.208 4.358 17929
498 1 9 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.381 -1.051 17929
499 1 9 . 1 1 7 7 ASP H H 24 8.429 8.429 8.452 -0.023 17929
500 1 9 . 1 1 9 9 LEU N N 26 119.147 119.147 120.201 -1.054 17929
501 1 9 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.939 0.549 17929
502 1 9 . 1 1 9 9 LEU H H 26 8.190 8.190 7.787 0.403 17929
503 1 9 . 1 1 10 10 VAL N N 27 121.008 121.008 118.125 2.883 17929
504 1 9 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.863 -0.376 17929
505 1 9 . 1 1 10 10 VAL H H 27 7.255 7.255 7.693 -0.438 17929
506 1 9 . 1 1 11 11 VAL N N 28 123.961 123.961 119.109 4.852 17929
507 1 9 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.446 2.140 17929
508 1 9 . 1 1 11 11 VAL H H 28 8.171 8.171 7.480 0.691 17929
509 1 9 . 1 1 12 12 ALA N N 29 121.779 121.779 122.309 -0.530 17929
510 1 9 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.459 0.437 17929
511 1 9 . 1 1 12 12 ALA H H 29 8.418 8.418 7.732 0.686 17929
512 1 9 . 1 1 13 13 ALA N N 30 118.633 118.633 120.462 -1.829 17929
513 1 9 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.102 0.379 17929
514 1 9 . 1 1 13 13 ALA H H 30 8.636 8.636 7.636 1.000 17929
515 1 9 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929
516 1 9 . 1 1 14 14 SER CA C 31 63.672 63.672 61.369 2.303 17929
517 1 9 . 1 1 14 14 SER H H 31 8.267 8.267 7.530 0.737 17929
518 1 9 . 1 1 15 15 ILE N N 32 122.292 122.292 121.723 0.569 17929
519 1 9 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.441 0.175 17929
520 1 9 . 1 1 15 15 ILE H H 32 7.797 7.797 8.273 -0.476 17929
521 1 9 . 1 1 16 16 ILE N N 33 121.008 121.008 118.983 2.025 17929
522 1 9 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.286 0.252 17929
523 1 9 . 1 1 16 16 ILE H H 33 7.996 7.996 7.640 0.356 17929
524 1 9 . 1 1 17 17 GLY N N 34 123.769 123.769 108.484 15.285 17929
525 1 9 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.496 -0.232 17929
526 1 9 . 1 1 17 17 GLY H H 34 8.061 8.061 8.141 -0.080 17929
527 1 9 . 1 1 19 19 LEU N N 36 120.377 120.377 120.630 -0.253 17929
528 1 9 . 1 1 19 19 LEU H H 36 8.113 8.113 7.506 0.607 17929
529 1 9 . 1 1 20 20 HIS N N 37 118.796 118.796 117.470 1.326 17929
530 1 9 . 1 1 20 20 HIS H H 37 9.052 9.052 8.019 1.033 17929
531 1 9 . 1 1 22 22 ILE N N 39 121.245 121.245 117.849 3.396 17929
532 1 9 . 1 1 22 22 ILE H H 39 8.200 8.200 7.796 0.404 17929
533 1 9 . 1 1 23 23 ALA N N 40 121.330 121.330 121.526 -0.196 17929
534 1 9 . 1 1 23 23 ALA H H 40 8.835 8.835 7.392 1.443 17929
535 1 9 . 1 1 24 24 TRP N N 41 119.054 119.054 121.179 -2.125 17929
536 1 9 . 1 1 24 24 TRP H H 41 8.520 8.520 8.084 0.436 17929
537 1 9 . 1 1 25 25 THR N N 42 117.474 117.474 114.441 3.033 17929
538 1 9 . 1 1 25 25 THR H H 42 8.068 8.068 7.439 0.629 17929
539 1 9 . 1 1 26 26 ILE N N 43 120.749 120.749 117.067 3.682 17929
540 1 9 . 1 1 26 26 ILE H H 43 8.020 8.020 7.451 0.569 17929
541 1 9 . 1 1 27 27 GLY N N 44 107.156 107.156 108.410 -1.254 17929
542 1 9 . 1 1 27 27 GLY H H 44 8.067 8.067 7.740 0.327 17929
543 1 9 . 1 1 28 28 HIS N N 45 121.329 121.329 123.077 -1.748 17929
544 1 9 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.865 0.601 17929
545 1 9 . 1 1 28 28 HIS H H 45 7.815 7.815 8.234 -0.419 17929
546 1 9 . 1 1 29 29 LEU N N 46 119.724 119.724 118.755 0.969 17929
547 1 9 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.710 -0.452 17929
548 1 9 . 1 1 29 29 LEU H H 46 8.075 8.075 7.679 0.396 17929
549 1 9 . 1 1 30 30 ASN N N 47 117.028 117.028 117.998 -0.970 17929
550 1 9 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.860 -0.949 17929
551 1 9 . 1 1 30 30 ASN H H 47 7.995 7.995 8.159 -0.164 17929
552 1 9 . 1 1 31 31 GLN N N 48 118.954 118.954 120.342 -1.388 17929
553 1 9 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.514 -1.529 17929
554 1 9 . 1 1 31 31 GLN H H 48 7.672 7.672 7.639 0.033 17929
555 1 9 . 1 1 32 32 ILE N N 49 119.836 119.836 118.204 1.632 17929
556 1 9 . 1 1 32 32 ILE H H 49 7.679 7.679 7.247 0.432 17929
557 1 9 . 1 1 33 33 LYS N N 50 124.429 124.429 120.167 4.262 17929
558 1 9 . 1 1 33 33 LYS H H 50 8.018 8.018 7.669 0.349 17929
559 1 10 . 1 1 7 7 ASP N N 24 125.566 125.566 122.252 3.314 17929
560 1 10 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.153 -0.823 17929
561 1 10 . 1 1 7 7 ASP H H 24 8.429 8.429 8.259 0.170 17929
562 1 10 . 1 1 9 9 LEU N N 26 119.147 119.147 116.752 2.395 17929
563 1 10 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.570 0.918 17929
564 1 10 . 1 1 9 9 LEU H H 26 8.190 8.190 7.833 0.357 17929
565 1 10 . 1 1 10 10 VAL N N 27 121.008 121.008 118.404 2.604 17929
566 1 10 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.777 -0.290 17929
567 1 10 . 1 1 10 10 VAL H H 27 7.255 7.255 7.668 -0.413 17929
568 1 10 . 1 1 11 11 VAL N N 28 123.961 123.961 119.503 4.458 17929
569 1 10 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.989 2.597 17929
570 1 10 . 1 1 11 11 VAL H H 28 8.171 8.171 7.464 0.707 17929
571 1 10 . 1 1 12 12 ALA N N 29 121.779 121.779 122.836 -1.057 17929
572 1 10 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.260 0.636 17929
573 1 10 . 1 1 12 12 ALA H H 29 8.418 8.418 7.367 1.050 17929
574 1 10 . 1 1 13 13 ALA N N 30 118.633 118.633 120.626 -1.993 17929
575 1 10 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.182 0.299 17929
576 1 10 . 1 1 13 13 ALA H H 30 8.636 8.636 7.647 0.989 17929
577 1 10 . 1 1 14 14 SER N N 31 119.981 119.981 114.871 5.110 17929
578 1 10 . 1 1 14 14 SER CA C 31 63.672 63.672 61.371 2.300 17929
579 1 10 . 1 1 14 14 SER H H 31 8.267 8.267 7.504 0.763 17929
580 1 10 . 1 1 15 15 ILE N N 32 122.292 122.292 121.868 0.424 17929
581 1 10 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.379 0.237 17929
582 1 10 . 1 1 15 15 ILE H H 32 7.797 7.797 8.237 -0.440 17929
583 1 10 . 1 1 16 16 ILE N N 33 121.008 121.008 119.164 1.844 17929
584 1 10 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.498 0.040 17929
585 1 10 . 1 1 16 16 ILE H H 33 7.996 7.996 7.670 0.326 17929
586 1 10 . 1 1 17 17 GLY N N 34 123.769 123.769 108.018 15.751 17929
587 1 10 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.430 -0.166 17929
588 1 10 . 1 1 17 17 GLY H H 34 8.061 8.061 7.847 0.214 17929
589 1 10 . 1 1 19 19 LEU N N 36 120.377 120.377 121.329 -0.952 17929
590 1 10 . 1 1 19 19 LEU H H 36 8.113 8.113 8.037 0.075 17929
591 1 10 . 1 1 20 20 HIS N N 37 118.796 118.796 117.390 1.406 17929
592 1 10 . 1 1 20 20 HIS H H 37 9.052 9.052 7.818 1.234 17929
593 1 10 . 1 1 22 22 ILE N N 39 121.245 121.245 117.710 3.535 17929
594 1 10 . 1 1 22 22 ILE H H 39 8.200 8.200 7.970 0.230 17929
595 1 10 . 1 1 23 23 ALA N N 40 121.330 121.330 121.588 -0.258 17929
596 1 10 . 1 1 23 23 ALA H H 40 8.835 8.835 7.567 1.268 17929
597 1 10 . 1 1 24 24 TRP N N 41 119.054 119.054 121.092 -2.038 17929
598 1 10 . 1 1 24 24 TRP H H 41 8.520 8.520 7.875 0.645 17929
599 1 10 . 1 1 25 25 THR N N 42 117.474 117.474 114.548 2.926 17929
600 1 10 . 1 1 25 25 THR H H 42 8.068 8.068 7.455 0.613 17929
601 1 10 . 1 1 26 26 ILE N N 43 120.749 120.749 116.447 4.302 17929
602 1 10 . 1 1 26 26 ILE H H 43 8.020 8.020 7.458 0.562 17929
603 1 10 . 1 1 27 27 GLY N N 44 107.156 107.156 108.745 -1.589 17929
604 1 10 . 1 1 27 27 GLY H H 44 8.067 8.067 7.738 0.329 17929
605 1 10 . 1 1 28 28 HIS N N 45 121.329 121.329 123.013 -1.684 17929
606 1 10 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.626 0.840 17929
607 1 10 . 1 1 28 28 HIS H H 45 7.815 7.815 7.790 0.025 17929
608 1 10 . 1 1 29 29 LEU N N 46 119.724 119.724 117.861 1.863 17929
609 1 10 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.793 -0.535 17929
610 1 10 . 1 1 29 29 LEU H H 46 8.075 8.075 7.605 0.470 17929
611 1 10 . 1 1 30 30 ASN N N 47 117.028 117.028 117.749 -0.721 17929
612 1 10 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.990 -1.079 17929
613 1 10 . 1 1 30 30 ASN H H 47 7.995 7.995 8.115 -0.120 17929
614 1 10 . 1 1 31 31 GLN N N 48 118.954 118.954 119.962 -1.008 17929
615 1 10 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.429 -1.444 17929
616 1 10 . 1 1 31 31 GLN H H 48 7.672 7.672 7.573 0.099 17929
617 1 10 . 1 1 32 32 ILE N N 49 119.836 119.836 117.678 2.158 17929
618 1 10 . 1 1 32 32 ILE H H 49 7.679 7.679 7.335 0.344 17929
619 1 10 . 1 1 33 33 LYS N N 50 124.429 124.429 119.253 5.176 17929
620 1 10 . 1 1 33 33 LYS H H 50 8.018 8.018 7.472 0.546 17929
621 1 11 . 1 1 7 7 ASP N N 24 125.566 125.566 122.425 3.141 17929
622 1 11 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.126 -0.796 17929
623 1 11 . 1 1 7 7 ASP H H 24 8.429 8.429 8.322 0.107 17929
624 1 11 . 1 1 9 9 LEU N N 26 119.147 119.147 118.818 0.329 17929
625 1 11 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.489 0.999 17929
626 1 11 . 1 1 9 9 LEU H H 26 8.190 8.190 7.861 0.329 17929
627 1 11 . 1 1 10 10 VAL N N 27 121.008 121.008 118.040 2.968 17929
628 1 11 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.461 -0.974 17929
629 1 11 . 1 1 10 10 VAL H H 27 7.255 7.255 7.470 -0.215 17929
630 1 11 . 1 1 11 11 VAL N N 28 123.961 123.961 119.555 4.406 17929
631 1 11 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.065 2.521 17929
632 1 11 . 1 1 11 11 VAL H H 28 8.171 8.171 7.421 0.750 17929
633 1 11 . 1 1 12 12 ALA N N 29 121.779 121.779 122.447 -0.668 17929
634 1 11 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.462 0.434 17929
635 1 11 . 1 1 12 12 ALA H H 29 8.418 8.418 7.659 0.759 17929
636 1 11 . 1 1 13 13 ALA N N 30 118.633 118.633 120.242 -1.609 17929
637 1 11 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.120 0.361 17929
638 1 11 . 1 1 13 13 ALA H H 30 8.636 8.636 7.680 0.956 17929
639 1 11 . 1 1 14 14 SER N N 31 119.981 119.981 114.801 5.180 17929
640 1 11 . 1 1 14 14 SER CA C 31 63.672 63.672 61.469 2.203 17929
641 1 11 . 1 1 14 14 SER H H 31 8.267 8.267 7.495 0.772 17929
642 1 11 . 1 1 15 15 ILE N N 32 122.292 122.292 121.961 0.331 17929
643 1 11 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.351 0.265 17929
644 1 11 . 1 1 15 15 ILE H H 32 7.797 7.797 8.161 -0.364 17929
645 1 11 . 1 1 16 16 ILE N N 33 121.008 121.008 119.135 1.873 17929
646 1 11 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.436 0.102 17929
647 1 11 . 1 1 16 16 ILE H H 33 7.996 7.996 7.723 0.273 17929
648 1 11 . 1 1 17 17 GLY N N 34 123.769 123.769 108.027 15.742 17929
649 1 11 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.444 -0.180 17929
650 1 11 . 1 1 17 17 GLY H H 34 8.061 8.061 8.133 -0.072 17929
651 1 11 . 1 1 19 19 LEU N N 36 120.377 120.377 120.216 0.161 17929
652 1 11 . 1 1 19 19 LEU H H 36 8.113 8.113 7.271 0.842 17929
653 1 11 . 1 1 20 20 HIS N N 37 118.796 118.796 117.439 1.357 17929
654 1 11 . 1 1 20 20 HIS H H 37 9.052 9.052 7.942 1.110 17929
655 1 11 . 1 1 22 22 ILE N N 39 121.245 121.245 117.184 4.061 17929
656 1 11 . 1 1 22 22 ILE H H 39 8.200 8.200 7.975 0.225 17929
657 1 11 . 1 1 23 23 ALA N N 40 121.330 121.330 122.421 -1.091 17929
658 1 11 . 1 1 23 23 ALA H H 40 8.835 8.835 7.426 1.409 17929
659 1 11 . 1 1 24 24 TRP N N 41 119.054 119.054 120.968 -1.914 17929
660 1 11 . 1 1 24 24 TRP H H 41 8.520 8.520 8.221 0.299 17929
661 1 11 . 1 1 25 25 THR N N 42 117.474 117.474 114.838 2.636 17929
662 1 11 . 1 1 25 25 THR H H 42 8.068 8.068 7.510 0.558 17929
663 1 11 . 1 1 26 26 ILE N N 43 120.749 120.749 116.503 4.246 17929
664 1 11 . 1 1 26 26 ILE H H 43 8.020 8.020 7.363 0.657 17929
665 1 11 . 1 1 27 27 GLY N N 44 107.156 107.156 108.742 -1.586 17929
666 1 11 . 1 1 27 27 GLY H H 44 8.067 8.067 7.754 0.313 17929
667 1 11 . 1 1 28 28 HIS N N 45 121.329 121.329 123.102 -1.773 17929
668 1 11 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.372 1.094 17929
669 1 11 . 1 1 28 28 HIS H H 45 7.815 7.815 7.832 -0.017 17929
670 1 11 . 1 1 29 29 LEU N N 46 119.724 119.724 117.973 1.751 17929
671 1 11 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.781 -0.523 17929
672 1 11 . 1 1 29 29 LEU H H 46 8.075 8.075 7.596 0.479 17929
673 1 11 . 1 1 30 30 ASN N N 47 117.028 117.028 117.314 -0.286 17929
674 1 11 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.532 -1.621 17929
675 1 11 . 1 1 30 30 ASN H H 47 7.995 7.995 8.216 -0.221 17929
676 1 11 . 1 1 31 31 GLN N N 48 118.954 118.954 120.129 -1.175 17929
677 1 11 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.460 -1.475 17929
678 1 11 . 1 1 31 31 GLN H H 48 7.672 7.672 7.666 0.006 17929
679 1 11 . 1 1 32 32 ILE N N 49 119.836 119.836 117.675 2.161 17929
680 1 11 . 1 1 32 32 ILE H H 49 7.679 7.679 7.323 0.356 17929
681 1 11 . 1 1 33 33 LYS N N 50 124.429 124.429 119.241 5.188 17929
682 1 11 . 1 1 33 33 LYS H H 50 8.018 8.018 7.562 0.456 17929
683 1 12 . 1 1 7 7 ASP N N 24 125.566 125.566 121.814 3.752 17929
684 1 12 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.078 -0.748 17929
685 1 12 . 1 1 7 7 ASP H H 24 8.429 8.429 8.301 0.128 17929
686 1 12 . 1 1 9 9 LEU N N 26 119.147 119.147 118.323 0.824 17929
687 1 12 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.450 1.038 17929
688 1 12 . 1 1 9 9 LEU H H 26 8.190 8.190 7.799 0.391 17929
689 1 12 . 1 1 10 10 VAL N N 27 121.008 121.008 118.445 2.563 17929
690 1 12 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.736 -1.249 17929
691 1 12 . 1 1 10 10 VAL H H 27 7.255 7.255 7.575 -0.320 17929
692 1 12 . 1 1 11 11 VAL N N 28 123.961 123.961 119.454 4.507 17929
693 1 12 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.054 2.532 17929
694 1 12 . 1 1 11 11 VAL H H 28 8.171 8.171 7.330 0.841 17929
695 1 12 . 1 1 12 12 ALA N N 29 121.779 121.779 122.430 -0.651 17929
696 1 12 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.499 0.397 17929
697 1 12 . 1 1 12 12 ALA H H 29 8.418 8.418 7.655 0.763 17929
698 1 12 . 1 1 13 13 ALA N N 30 118.633 118.633 120.324 -1.691 17929
699 1 12 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.132 0.349 17929
700 1 12 . 1 1 13 13 ALA H H 30 8.636 8.636 7.638 0.998 17929
701 1 12 . 1 1 14 14 SER N N 31 119.981 119.981 114.951 5.030 17929
702 1 12 . 1 1 14 14 SER CA C 31 63.672 63.672 61.678 1.994 17929
703 1 12 . 1 1 14 14 SER H H 31 8.267 8.267 7.474 0.793 17929
704 1 12 . 1 1 15 15 ILE N N 32 122.292 122.292 122.138 0.154 17929
705 1 12 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.319 0.297 17929
706 1 12 . 1 1 15 15 ILE H H 32 7.797 7.797 8.323 -0.526 17929
707 1 12 . 1 1 16 16 ILE N N 33 121.008 121.008 118.995 2.013 17929
708 1 12 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.400 0.138 17929
709 1 12 . 1 1 16 16 ILE H H 33 7.996 7.996 7.680 0.316 17929
710 1 12 . 1 1 17 17 GLY N N 34 123.769 123.769 108.197 15.572 17929
711 1 12 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.448 -0.184 17929
712 1 12 . 1 1 17 17 GLY H H 34 8.061 8.061 7.917 0.144 17929
713 1 12 . 1 1 19 19 LEU N N 36 120.377 120.377 120.799 -0.422 17929
714 1 12 . 1 1 19 19 LEU H H 36 8.113 8.113 7.662 0.451 17929
715 1 12 . 1 1 20 20 HIS N N 37 118.796 118.796 117.443 1.353 17929
716 1 12 . 1 1 20 20 HIS H H 37 9.052 9.052 7.957 1.095 17929
717 1 12 . 1 1 22 22 ILE N N 39 121.245 121.245 118.026 3.219 17929
718 1 12 . 1 1 22 22 ILE H H 39 8.200 8.200 7.803 0.397 17929
719 1 12 . 1 1 23 23 ALA N N 40 121.330 121.330 121.390 -0.060 17929
720 1 12 . 1 1 23 23 ALA H H 40 8.835 8.835 7.412 1.423 17929
721 1 12 . 1 1 24 24 TRP N N 41 119.054 119.054 121.124 -2.070 17929
722 1 12 . 1 1 24 24 TRP H H 41 8.520 8.520 7.891 0.629 17929
723 1 12 . 1 1 25 25 THR N N 42 117.474 117.474 113.517 3.957 17929
724 1 12 . 1 1 25 25 THR H H 42 8.068 8.068 7.548 0.520 17929
725 1 12 . 1 1 26 26 ILE N N 43 120.749 120.749 115.547 5.202 17929
726 1 12 . 1 1 26 26 ILE H H 43 8.020 8.020 7.275 0.745 17929
727 1 12 . 1 1 27 27 GLY N N 44 107.156 107.156 108.421 -1.265 17929
728 1 12 . 1 1 27 27 GLY H H 44 8.067 8.067 7.788 0.279 17929
729 1 12 . 1 1 28 28 HIS N N 45 121.329 121.329 123.061 -1.732 17929
730 1 12 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.662 0.804 17929
731 1 12 . 1 1 28 28 HIS H H 45 7.815 7.815 7.793 0.022 17929
732 1 12 . 1 1 29 29 LEU N N 46 119.724 119.724 117.937 1.787 17929
733 1 12 . 1 1 29 29 LEU CA C 46 57.258 57.258 58.069 -0.811 17929
734 1 12 . 1 1 29 29 LEU H H 46 8.075 8.075 7.693 0.382 17929
735 1 12 . 1 1 30 30 ASN N N 47 117.028 117.028 117.961 -0.933 17929
736 1 12 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.806 -0.895 17929
737 1 12 . 1 1 30 30 ASN H H 47 7.995 7.995 8.055 -0.060 17929
738 1 12 . 1 1 31 31 GLN N N 48 118.954 118.954 120.019 -1.065 17929
739 1 12 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.407 -1.423 17929
740 1 12 . 1 1 31 31 GLN H H 48 7.672 7.672 7.574 0.098 17929
741 1 12 . 1 1 32 32 ILE N N 49 119.836 119.836 118.036 1.800 17929
742 1 12 . 1 1 32 32 ILE H H 49 7.679 7.679 7.205 0.474 17929
743 1 12 . 1 1 33 33 LYS N N 50 124.429 124.429 119.852 4.577 17929
744 1 12 . 1 1 33 33 LYS H H 50 8.018 8.018 7.857 0.161 17929
745 1 13 . 1 1 7 7 ASP N N 24 125.566 125.566 122.051 3.515 17929
746 1 13 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.373 -1.043 17929
747 1 13 . 1 1 7 7 ASP H H 24 8.429 8.429 8.303 0.126 17929
748 1 13 . 1 1 9 9 LEU N N 26 119.147 119.147 117.486 1.661 17929
749 1 13 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.414 1.074 17929
750 1 13 . 1 1 9 9 LEU H H 26 8.190 8.190 7.740 0.450 17929
751 1 13 . 1 1 10 10 VAL N N 27 121.008 121.008 119.109 1.899 17929
752 1 13 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.880 -1.393 17929
753 1 13 . 1 1 10 10 VAL H H 27 7.255 7.255 8.092 -0.837 17929
754 1 13 . 1 1 11 11 VAL N N 28 123.961 123.961 119.178 4.783 17929
755 1 13 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.926 2.660 17929
756 1 13 . 1 1 11 11 VAL H H 28 8.171 8.171 7.401 0.770 17929
757 1 13 . 1 1 12 12 ALA N N 29 121.779 121.779 122.370 -0.591 17929
758 1 13 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.483 0.413 17929
759 1 13 . 1 1 12 12 ALA H H 29 8.418 8.418 7.633 0.785 17929
760 1 13 . 1 1 13 13 ALA N N 30 118.633 118.633 120.424 -1.791 17929
761 1 13 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.157 0.324 17929
762 1 13 . 1 1 13 13 ALA H H 30 8.636 8.636 7.616 1.020 17929
763 1 13 . 1 1 14 14 SER N N 31 119.981 119.981 115.008 4.973 17929
764 1 13 . 1 1 14 14 SER CA C 31 63.672 63.672 61.506 2.166 17929
765 1 13 . 1 1 14 14 SER H H 31 8.267 8.267 7.486 0.781 17929
766 1 13 . 1 1 15 15 ILE N N 32 122.292 122.292 121.718 0.574 17929
767 1 13 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.268 0.348 17929
768 1 13 . 1 1 15 15 ILE H H 32 7.797 7.797 8.268 -0.471 17929
769 1 13 . 1 1 16 16 ILE N N 33 121.008 121.008 118.740 2.268 17929
770 1 13 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.180 0.358 17929
771 1 13 . 1 1 16 16 ILE H H 33 7.996 7.996 7.593 0.403 17929
772 1 13 . 1 1 17 17 GLY N N 34 123.769 123.769 108.344 15.425 17929
773 1 13 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.342 -0.078 17929
774 1 13 . 1 1 17 17 GLY H H 34 8.061 8.061 7.843 0.218 17929
775 1 13 . 1 1 19 19 LEU N N 36 120.377 120.377 120.795 -0.418 17929
776 1 13 . 1 1 19 19 LEU H H 36 8.113 8.113 7.461 0.652 17929
777 1 13 . 1 1 20 20 HIS N N 37 118.796 118.796 117.006 1.790 17929
778 1 13 . 1 1 20 20 HIS H H 37 9.052 9.052 7.892 1.160 17929
779 1 13 . 1 1 22 22 ILE N N 39 121.245 121.245 117.600 3.645 17929
780 1 13 . 1 1 22 22 ILE H H 39 8.200 8.200 7.955 0.245 17929
781 1 13 . 1 1 23 23 ALA N N 40 121.330 121.330 121.511 -0.181 17929
782 1 13 . 1 1 23 23 ALA H H 40 8.835 8.835 7.550 1.285 17929
783 1 13 . 1 1 24 24 TRP N N 41 119.054 119.054 120.997 -1.943 17929
784 1 13 . 1 1 24 24 TRP H H 41 8.520 8.520 7.755 0.765 17929
785 1 13 . 1 1 25 25 THR N N 42 117.474 117.474 114.549 2.925 17929
786 1 13 . 1 1 25 25 THR H H 42 8.068 8.068 7.506 0.562 17929
787 1 13 . 1 1 26 26 ILE N N 43 120.749 120.749 116.540 4.209 17929
788 1 13 . 1 1 26 26 ILE H H 43 8.020 8.020 7.378 0.642 17929
789 1 13 . 1 1 27 27 GLY N N 44 107.156 107.156 108.365 -1.209 17929
790 1 13 . 1 1 27 27 GLY H H 44 8.067 8.067 7.751 0.316 17929
791 1 13 . 1 1 28 28 HIS N N 45 121.329 121.329 123.132 -1.803 17929
792 1 13 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.974 0.492 17929
793 1 13 . 1 1 28 28 HIS H H 45 7.815 7.815 7.792 0.023 17929
794 1 13 . 1 1 29 29 LEU N N 46 119.724 119.724 117.680 2.044 17929
795 1 13 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.858 -0.600 17929
796 1 13 . 1 1 29 29 LEU H H 46 8.075 8.075 7.600 0.475 17929
797 1 13 . 1 1 30 30 ASN N N 47 117.028 117.028 117.716 -0.688 17929
798 1 13 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.841 -0.930 17929
799 1 13 . 1 1 30 30 ASN H H 47 7.995 7.995 8.200 -0.205 17929
800 1 13 . 1 1 31 31 GLN N N 48 118.954 118.954 119.934 -0.980 17929
801 1 13 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.308 -1.323 17929
802 1 13 . 1 1 31 31 GLN H H 48 7.672 7.672 7.488 0.184 17929
803 1 13 . 1 1 32 32 ILE N N 49 119.836 119.836 118.229 1.607 17929
804 1 13 . 1 1 32 32 ILE H H 49 7.679 7.679 7.334 0.345 17929
805 1 13 . 1 1 33 33 LYS N N 50 124.429 124.429 119.417 5.012 17929
806 1 13 . 1 1 33 33 LYS H H 50 8.018 8.018 7.562 0.456 17929
807 1 14 . 1 1 7 7 ASP N N 24 125.566 125.566 122.072 3.494 17929
808 1 14 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.293 -0.963 17929
809 1 14 . 1 1 7 7 ASP H H 24 8.429 8.429 8.368 0.061 17929
810 1 14 . 1 1 9 9 LEU N N 26 119.147 119.147 118.961 0.186 17929
811 1 14 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.809 0.678 17929
812 1 14 . 1 1 9 9 LEU H H 26 8.190 8.190 7.893 0.297 17929
813 1 14 . 1 1 10 10 VAL N N 27 121.008 121.008 117.890 3.118 17929
814 1 14 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.355 -0.868 17929
815 1 14 . 1 1 10 10 VAL H H 27 7.255 7.255 7.642 -0.387 17929
816 1 14 . 1 1 11 11 VAL N N 28 123.961 123.961 119.395 4.566 17929
817 1 14 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.119 2.467 17929
818 1 14 . 1 1 11 11 VAL H H 28 8.171 8.171 7.678 0.493 17929
819 1 14 . 1 1 12 12 ALA N N 29 121.779 121.779 122.577 -0.798 17929
820 1 14 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.492 0.404 17929
821 1 14 . 1 1 12 12 ALA H H 29 8.418 8.418 7.894 0.524 17929
822 1 14 . 1 1 13 13 ALA N N 30 118.633 118.633 120.582 -1.949 17929
823 1 14 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.150 0.331 17929
824 1 14 . 1 1 13 13 ALA H H 30 8.636 8.636 7.630 1.006 17929
825 1 14 . 1 1 14 14 SER N N 31 119.981 119.981 115.019 4.962 17929
826 1 14 . 1 1 14 14 SER CA C 31 63.672 63.672 61.557 2.115 17929
827 1 14 . 1 1 14 14 SER H H 31 8.267 8.267 7.497 0.770 17929
828 1 14 . 1 1 15 15 ILE N N 32 122.292 122.292 121.494 0.798 17929
829 1 14 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.233 0.383 17929
830 1 14 . 1 1 15 15 ILE H H 32 7.797 7.797 8.143 -0.346 17929
831 1 14 . 1 1 16 16 ILE N N 33 121.008 121.008 118.890 2.118 17929
832 1 14 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.225 0.312 17929
833 1 14 . 1 1 16 16 ILE H H 33 7.996 7.996 7.566 0.430 17929
834 1 14 . 1 1 17 17 GLY N N 34 123.769 123.769 108.236 15.533 17929
835 1 14 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.424 -0.160 17929
836 1 14 . 1 1 17 17 GLY H H 34 8.061 8.061 8.208 -0.147 17929
837 1 14 . 1 1 19 19 LEU N N 36 120.377 120.377 121.233 -0.856 17929
838 1 14 . 1 1 19 19 LEU H H 36 8.113 8.113 7.148 0.965 17929
839 1 14 . 1 1 20 20 HIS N N 37 118.796 118.796 117.121 1.675 17929
840 1 14 . 1 1 20 20 HIS H H 37 9.052 9.052 7.845 1.207 17929
841 1 14 . 1 1 22 22 ILE N N 39 121.245 121.245 117.480 3.765 17929
842 1 14 . 1 1 22 22 ILE H H 39 8.200 8.200 7.948 0.252 17929
843 1 14 . 1 1 23 23 ALA N N 40 121.330 121.330 122.324 -0.994 17929
844 1 14 . 1 1 23 23 ALA H H 40 8.835 8.835 7.556 1.279 17929
845 1 14 . 1 1 24 24 TRP N N 41 119.054 119.054 120.962 -1.908 17929
846 1 14 . 1 1 24 24 TRP H H 41 8.520 8.520 7.843 0.676 17929
847 1 14 . 1 1 25 25 THR N N 42 117.474 117.474 114.205 3.269 17929
848 1 14 . 1 1 25 25 THR H H 42 8.068 8.068 7.623 0.445 17929
849 1 14 . 1 1 26 26 ILE N N 43 120.749 120.749 116.761 3.988 17929
850 1 14 . 1 1 26 26 ILE H H 43 8.020 8.020 7.354 0.666 17929
851 1 14 . 1 1 27 27 GLY N N 44 107.156 107.156 108.942 -1.786 17929
852 1 14 . 1 1 27 27 GLY H H 44 8.067 8.067 7.688 0.379 17929
853 1 14 . 1 1 28 28 HIS N N 45 121.329 121.329 122.958 -1.629 17929
854 1 14 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.566 0.900 17929
855 1 14 . 1 1 28 28 HIS H H 45 7.815 7.815 7.882 -0.067 17929
856 1 14 . 1 1 29 29 LEU N N 46 119.724 119.724 118.225 1.499 17929
857 1 14 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.909 -0.651 17929
858 1 14 . 1 1 29 29 LEU H H 46 8.075 8.075 7.670 0.405 17929
859 1 14 . 1 1 30 30 ASN N N 47 117.028 117.028 117.809 -0.781 17929
860 1 14 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.082 -1.171 17929
861 1 14 . 1 1 30 30 ASN H H 47 7.995 7.995 8.166 -0.171 17929
862 1 14 . 1 1 31 31 GLN N N 48 118.954 118.954 120.004 -1.050 17929
863 1 14 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.371 -1.386 17929
864 1 14 . 1 1 31 31 GLN H H 48 7.672 7.672 7.544 0.128 17929
865 1 14 . 1 1 32 32 ILE N N 49 119.836 119.836 117.882 1.954 17929
866 1 14 . 1 1 32 32 ILE H H 49 7.679 7.679 7.352 0.327 17929
867 1 14 . 1 1 33 33 LYS N N 50 124.429 124.429 119.181 5.248 17929
868 1 14 . 1 1 33 33 LYS H H 50 8.018 8.018 7.949 0.069 17929
869 1 15 . 1 1 7 7 ASP N N 24 125.566 125.566 121.231 4.335 17929
870 1 15 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.493 -1.163 17929
871 1 15 . 1 1 7 7 ASP H H 24 8.429 8.429 8.387 0.042 17929
872 1 15 . 1 1 9 9 LEU N N 26 119.147 119.147 119.331 -0.184 17929
873 1 15 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.724 0.764 17929
874 1 15 . 1 1 9 9 LEU H H 26 8.190 8.190 8.089 0.101 17929
875 1 15 . 1 1 10 10 VAL N N 27 121.008 121.008 117.885 3.123 17929
876 1 15 . 1 1 10 10 VAL CA C 27 65.487 65.487 65.689 -0.202 17929
877 1 15 . 1 1 10 10 VAL H H 27 7.255 7.255 7.415 -0.160 17929
878 1 15 . 1 1 11 11 VAL N N 28 123.961 123.961 119.664 4.297 17929
879 1 15 . 1 1 11 11 VAL CA C 28 67.586 67.586 65.313 2.273 17929
880 1 15 . 1 1 11 11 VAL H H 28 8.171 8.171 7.326 0.845 17929
881 1 15 . 1 1 12 12 ALA N N 29 121.779 121.779 120.832 0.947 17929
882 1 15 . 1 1 12 12 ALA CA C 29 55.896 55.896 54.670 1.226 17929
883 1 15 . 1 1 12 12 ALA H H 29 8.418 8.418 7.902 0.516 17929
884 1 15 . 1 1 13 13 ALA N N 30 118.633 118.633 120.433 -1.800 17929
885 1 15 . 1 1 13 13 ALA CA C 30 55.481 55.481 54.761 0.720 17929
886 1 15 . 1 1 13 13 ALA H H 30 8.636 8.636 7.846 0.790 17929
887 1 15 . 1 1 14 14 SER N N 31 119.981 119.981 114.352 5.629 17929
888 1 15 . 1 1 14 14 SER CA C 31 63.672 63.672 60.784 2.888 17929
889 1 15 . 1 1 14 14 SER H H 31 8.267 8.267 7.553 0.714 17929
890 1 15 . 1 1 15 15 ILE N N 32 122.292 122.292 121.679 0.613 17929
891 1 15 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.321 0.295 17929
892 1 15 . 1 1 15 15 ILE H H 32 7.797 7.797 7.343 0.454 17929
893 1 15 . 1 1 16 16 ILE N N 33 121.008 121.008 118.750 2.258 17929
894 1 15 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.008 0.530 17929
895 1 15 . 1 1 16 16 ILE H H 33 7.996 7.996 7.474 0.522 17929
896 1 15 . 1 1 17 17 GLY N N 34 123.769 123.769 108.239 15.530 17929
897 1 15 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.294 -0.030 17929
898 1 15 . 1 1 17 17 GLY H H 34 8.061 8.061 7.485 0.576 17929
899 1 15 . 1 1 19 19 LEU N N 36 120.377 120.377 120.886 -0.509 17929
900 1 15 . 1 1 19 19 LEU H H 36 8.113 8.113 7.811 0.302 17929
901 1 15 . 1 1 20 20 HIS N N 37 118.796 118.796 117.145 1.651 17929
902 1 15 . 1 1 20 20 HIS H H 37 9.052 9.052 8.001 1.051 17929
903 1 15 . 1 1 22 22 ILE N N 39 121.245 121.245 117.811 3.434 17929
904 1 15 . 1 1 22 22 ILE H H 39 8.200 8.200 7.805 0.395 17929
905 1 15 . 1 1 23 23 ALA N N 40 121.330 121.330 121.550 -0.220 17929
906 1 15 . 1 1 23 23 ALA H H 40 8.835 8.835 7.424 1.411 17929
907 1 15 . 1 1 24 24 TRP N N 41 119.054 119.054 121.108 -2.054 17929
908 1 15 . 1 1 24 24 TRP H H 41 8.520 8.520 7.849 0.671 17929
909 1 15 . 1 1 25 25 THR N N 42 117.474 117.474 113.626 3.848 17929
910 1 15 . 1 1 25 25 THR H H 42 8.068 8.068 7.564 0.504 17929
911 1 15 . 1 1 26 26 ILE N N 43 120.749 120.749 115.891 4.858 17929
912 1 15 . 1 1 26 26 ILE H H 43 8.020 8.020 7.257 0.763 17929
913 1 15 . 1 1 27 27 GLY N N 44 107.156 107.156 108.327 -1.171 17929
914 1 15 . 1 1 27 27 GLY H H 44 8.067 8.067 7.767 0.300 17929
915 1 15 . 1 1 28 28 HIS N N 45 121.329 121.329 123.077 -1.748 17929
916 1 15 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.365 1.101 17929
917 1 15 . 1 1 28 28 HIS H H 45 7.815 7.815 7.927 -0.112 17929
918 1 15 . 1 1 29 29 LEU N N 46 119.724 119.724 118.755 0.969 17929
919 1 15 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.760 -0.502 17929
920 1 15 . 1 1 29 29 LEU H H 46 8.075 8.075 7.649 0.426 17929
921 1 15 . 1 1 30 30 ASN N N 47 117.028 117.028 118.060 -1.032 17929
922 1 15 . 1 1 30 30 ASN CA C 47 54.911 54.911 55.829 -0.918 17929
923 1 15 . 1 1 30 30 ASN H H 47 7.995 7.995 8.130 -0.135 17929
924 1 15 . 1 1 31 31 GLN N N 48 118.954 118.954 120.263 -1.309 17929
925 1 15 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.522 -1.537 17929
926 1 15 . 1 1 31 31 GLN H H 48 7.672 7.672 7.583 0.089 17929
927 1 15 . 1 1 32 32 ILE N N 49 119.836 119.836 118.699 1.137 17929
928 1 15 . 1 1 32 32 ILE H H 49 7.679 7.679 7.284 0.395 17929
929 1 15 . 1 1 33 33 LYS N N 50 124.429 124.429 118.851 5.578 17929
930 1 15 . 1 1 33 33 LYS H H 50 8.018 8.018 7.936 0.082 17929
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 24 4.033 -1.898 3.635 17929
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17929
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17929
4 1 1 "Average Difference" CA 14 1.196 -0.197 1.224 17929
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17929
6 1 1 "Average Difference" HN 24 0.565 -0.394 0.413 17929
7 1 2 "Average Difference" N 24 4.110 -1.932 3.705 17929
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17929
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17929
10 1 2 "Average Difference" CA 14 1.107 -0.055 1.148 17929
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17929
12 1 2 "Average Difference" HN 24 0.592 -0.323 0.507 17929
13 1 3 "Average Difference" N 24 4.113 -1.745 3.805 17929
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17929
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17929
16 1 3 "Average Difference" CA 14 1.159 -0.205 1.184 17929
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17929
18 1 3 "Average Difference" HN 24 0.582 -0.384 0.447 17929
19 1 4 "Average Difference" N 24 4.056 -1.856 3.684 17929
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17929
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17929
22 1 4 "Average Difference" CA 14 1.235 -0.202 1.265 17929
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17929
24 1 4 "Average Difference" HN 24 0.580 -0.363 0.462 17929
25 1 5 "Average Difference" N 24 3.984 -1.798 3.632 17929
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17929
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17929
28 1 5 "Average Difference" CA 14 1.210 -0.376 1.194 17929
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17929
30 1 5 "Average Difference" HN 24 0.536 -0.386 0.380 17929
31 1 6 "Average Difference" N 24 4.032 -2.025 3.561 17929
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17929
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17929
34 1 6 "Average Difference" CA 14 1.290 -0.325 1.295 17929
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17929
36 1 6 "Average Difference" HN 24 0.575 -0.422 0.399 17929
37 1 7 "Average Difference" N 24 3.999 -1.613 3.738 17929
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17929
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17929
40 1 7 "Average Difference" CA 14 1.169 -0.566 1.062 17929
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17929
42 1 7 "Average Difference" HN 24 0.558 -0.372 0.424 17929
43 1 8 "Average Difference" N 24 4.170 -2.005 3.735 17929
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17929
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17929
46 1 8 "Average Difference" CA 14 1.356 -0.422 1.337 17929
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17929
48 1 8 "Average Difference" HN 24 0.563 -0.396 0.408 17929
49 1 9 "Average Difference" N 24 4.022 -1.745 3.701 17929
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17929
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17929
52 1 9 "Average Difference" CA 14 1.060 -0.161 1.087 17929
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17929
54 1 9 "Average Difference" HN 24 0.598 -0.372 0.478 17929
55 1 10 "Average Difference" N 24 4.157 -1.915 3.769 17929
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17929
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17929
58 1 10 "Average Difference" CA 14 1.148 -0.252 1.163 17929
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17929
60 1 10 "Average Difference" HN 24 0.609 -0.418 0.452 17929
61 1 11 "Average Difference" N 24 4.130 -1.893 3.750 17929
62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17929
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17929
64 1 11 "Average Difference" CA 14 1.210 -0.172 1.243 17929
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17929
66 1 11 "Average Difference" HN 24 0.597 -0.407 0.446 17929
67 1 12 "Average Difference" N 24 4.134 -1.934 3.732 17929
68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17929
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17929
70 1 12 "Average Difference" CA 14 1.138 -0.160 1.169 17929
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17929
72 1 12 "Average Difference" HN 24 0.608 -0.423 0.447 17929
73 1 13 "Average Difference" N 24 4.073 -1.947 3.654 17929
74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17929
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17929
76 1 13 "Average Difference" CA 14 1.186 -0.176 1.217 17929
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17929
78 1 13 "Average Difference" HN 24 0.637 -0.423 0.486 17929
79 1 14 "Average Difference" N 24 4.125 -1.851 3.766 17929
80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17929
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17929
82 1 14 "Average Difference" CA 14 1.127 -0.171 1.156 17929
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17929
84 1 14 "Average Difference" HN 24 0.590 -0.386 0.456 17929
85 1 15 "Average Difference" N 24 4.221 -2.008 3.792 17929
86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 17929
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17929
88 1 15 "Average Difference" CA 14 1.269 -0.389 1.254 17929
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17929
90 1 15 "Average Difference" HN 24 0.580 -0.439 0.386 17929
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 17929
_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 7 7 ASP N N 24 125.566 125.566 122.071 3.495 17929
2 1 . 1 1 7 7 ASP CA C 24 53.330 53.330 54.261 -0.931 17929
3 1 . 1 1 7 7 ASP H H 24 8.429 8.429 8.365 0.064 17929
4 1 . 1 1 9 9 LEU N N 26 119.147 119.147 118.592 0.555 17929
5 1 . 1 1 9 9 LEU CA C 26 58.488 58.488 57.632 0.856 17929
6 1 . 1 1 9 9 LEU H H 26 8.190 8.190 7.887 0.303 17929
7 1 . 1 1 10 10 VAL N N 27 121.008 121.008 118.278 2.730 17929
8 1 . 1 1 10 10 VAL CA C 27 65.487 65.487 66.182 -0.695 17929
9 1 . 1 1 10 10 VAL H H 27 7.255 7.255 7.602 -0.347 17929
10 1 . 1 1 11 11 VAL N N 28 123.961 123.961 119.308 4.653 17929
11 1 . 1 1 11 11 VAL CA C 28 67.586 67.586 64.988 2.598 17929
12 1 . 1 1 11 11 VAL H H 28 8.171 8.171 7.569 0.602 17929
13 1 . 1 1 12 12 ALA N N 29 121.779 121.779 121.928 -0.149 17929
14 1 . 1 1 12 12 ALA CA C 29 55.896 55.896 55.259 0.637 17929
15 1 . 1 1 12 12 ALA H H 29 8.418 8.418 7.918 0.500 17929
16 1 . 1 1 13 13 ALA N N 30 118.633 118.633 120.435 -1.802 17929
17 1 . 1 1 13 13 ALA CA C 30 55.481 55.481 55.036 0.445 17929
18 1 . 1 1 13 13 ALA H H 30 8.636 8.636 7.627 1.009 17929
19 1 . 1 1 14 14 SER N N 31 119.981 119.981 114.871 5.110 17929
20 1 . 1 1 14 14 SER CA C 31 63.672 63.672 61.437 2.235 17929
21 1 . 1 1 14 14 SER H H 31 8.267 8.267 7.570 0.697 17929
22 1 . 1 1 15 15 ILE N N 32 122.292 122.292 121.440 0.852 17929
23 1 . 1 1 15 15 ILE CA C 32 65.616 65.616 65.276 0.340 17929
24 1 . 1 1 15 15 ILE H H 32 7.797 7.797 7.955 -0.158 17929
25 1 . 1 1 16 16 ILE N N 33 121.008 121.008 118.924 2.084 17929
26 1 . 1 1 16 16 ILE CA C 33 65.538 65.538 65.084 0.454 17929
27 1 . 1 1 16 16 ILE H H 33 7.996 7.996 7.586 0.410 17929
28 1 . 1 1 17 17 GLY N N 34 123.769 123.769 108.430 15.339 17929
29 1 . 1 1 17 17 GLY CA C 34 47.264 47.264 47.394 -0.130 17929
30 1 . 1 1 17 17 GLY H H 34 8.061 8.061 7.906 0.155 17929
31 1 . 1 1 19 19 LEU N N 36 120.377 120.377 120.956 -0.579 17929
32 1 . 1 1 19 19 LEU H H 36 8.113 8.113 7.509 0.604 17929
33 1 . 1 1 20 20 HIS N N 37 118.796 118.796 117.323 1.473 17929
34 1 . 1 1 20 20 HIS H H 37 9.052 9.052 8.023 1.029 17929
35 1 . 1 1 22 22 ILE N N 39 121.245 121.245 117.701 3.544 17929
36 1 . 1 1 22 22 ILE H H 39 8.200 8.200 7.879 0.321 17929
37 1 . 1 1 23 23 ALA N N 40 121.330 121.330 121.789 -0.459 17929
38 1 . 1 1 23 23 ALA H H 40 8.835 8.835 7.508 1.327 17929
39 1 . 1 1 24 24 TRP N N 41 119.054 119.054 121.030 -1.976 17929
40 1 . 1 1 24 24 TRP H H 41 8.520 8.520 7.948 0.572 17929
41 1 . 1 1 25 25 THR N N 42 117.474 117.474 114.250 3.224 17929
42 1 . 1 1 25 25 THR H H 42 8.068 8.068 7.515 0.553 17929
43 1 . 1 1 26 26 ILE N N 43 120.749 120.749 116.422 4.327 17929
44 1 . 1 1 26 26 ILE H H 43 8.020 8.020 7.380 0.640 17929
45 1 . 1 1 27 27 GLY N N 44 107.156 107.156 108.566 -1.410 17929
46 1 . 1 1 27 27 GLY H H 44 8.067 8.067 7.716 0.351 17929
47 1 . 1 1 28 28 HIS N N 45 121.329 121.329 123.021 -1.692 17929
48 1 . 1 1 28 28 HIS CA C 45 59.466 59.466 58.684 0.783 17929
49 1 . 1 1 28 28 HIS H H 45 7.815 7.815 7.928 -0.113 17929
50 1 . 1 1 29 29 LEU N N 46 119.724 119.724 118.346 1.378 17929
51 1 . 1 1 29 29 LEU CA C 46 57.258 57.258 57.784 -0.526 17929
52 1 . 1 1 29 29 LEU H H 46 8.075 8.075 7.648 0.427 17929
53 1 . 1 1 30 30 ASN N N 47 117.028 117.028 117.869 -0.841 17929
54 1 . 1 1 30 30 ASN CA C 47 54.911 54.911 56.041 -1.130 17929
55 1 . 1 1 30 30 ASN H H 47 7.995 7.995 8.093 -0.098 17929
56 1 . 1 1 31 31 GLN N N 48 118.954 118.954 120.069 -1.115 17929
57 1 . 1 1 31 31 GLN CA C 48 56.985 56.985 58.347 -1.362 17929
58 1 . 1 1 31 31 GLN H H 48 7.672 7.672 7.586 0.086 17929
59 1 . 1 1 32 32 ILE N N 49 119.836 119.836 118.455 1.381 17929
60 1 . 1 1 32 32 ILE H H 49 7.679 7.679 7.392 0.287 17929
61 1 . 1 1 33 33 LYS N N 50 124.429 124.429 119.485 4.944 17929
62 1 . 1 1 33 33 LYS H H 50 8.018 8.018 7.787 0.231 17929
stop_
save_