data_25296
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25296
_Entry.PDB_ID 2MW2
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 25296
_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 THR N N 7 112.417 112.417 114.886 -2.469 25296
2 1 1 . 1 1 8 8 LYS N N 8 121.105 121.105 121.834 -0.729 25296
3 1 1 . 1 1 9 9 THR N N 9 113.324 113.324 113.003 0.321 25296
4 1 1 . 1 1 10 10 ASP N N 10 121.834 121.834 122.742 -0.908 25296
5 1 1 . 1 1 11 11 TYR N N 11 116.789 116.789 119.086 -2.297 25296
6 1 1 . 1 1 12 12 LEU N N 12 121.549 121.549 121.796 -0.247 25296
7 1 1 . 1 1 13 13 MET N N 13 116.111 116.111 115.945 0.166 25296
8 1 1 . 1 1 14 14 ARG N N 14 117.417 117.417 119.145 -1.728 25296
9 1 1 . 1 1 15 15 LEU N N 15 119.519 119.519 118.712 0.807 25296
10 1 1 . 1 1 16 16 ARG N N 16 121.725 121.725 118.394 3.331 25296
11 1 1 . 1 1 17 17 ARG N N 17 115.267 115.267 116.868 -1.601 25296
12 1 1 . 1 1 18 18 CYS N N 18 120.960 120.960 120.505 0.455 25296
13 1 1 . 1 1 20 20 THR N N 20 106.710 106.710 109.923 -3.213 25296
14 1 1 . 1 1 21 21 ILE N N 21 124.640 124.640 116.580 8.060 25296
15 1 1 . 1 1 22 22 ASP N N 22 118.648 118.648 120.448 -1.800 25296
16 1 1 . 1 1 23 23 THR N N 23 115.236 115.236 115.898 -0.662 25296
17 1 1 . 1 1 24 24 LEU N N 24 124.130 124.130 122.783 1.347 25296
18 1 1 . 1 1 25 25 GLU N N 25 117.370 117.370 118.781 -1.411 25296
19 1 1 . 1 1 26 26 ARG N N 26 119.314 119.314 118.960 0.354 25296
20 1 1 . 1 1 27 27 VAL N N 27 122.593 122.593 121.148 1.445 25296
21 1 1 . 1 1 28 28 ILE N N 28 123.569 123.569 115.742 7.827 25296
22 1 1 . 1 1 29 29 GLU N N 29 118.032 118.032 120.593 -2.561 25296
23 1 1 . 1 1 30 30 LYS N N 30 116.536 116.536 118.049 -1.513 25296
24 1 1 . 1 1 31 31 ASN N N 31 117.098 117.098 118.845 -1.747 25296
25 1 1 . 1 1 32 32 LYS N N 32 119.676 119.676 119.623 0.053 25296
26 1 1 . 1 1 33 33 TYR N N 33 114.106 114.106 115.316 -1.210 25296
27 1 1 . 1 1 34 34 GLU N N 34 117.370 117.370 118.899 -1.529 25296
28 1 1 . 1 1 35 35 LEU N N 35 118.834 118.834 119.975 -1.141 25296
29 1 1 . 1 1 36 36 SER N N 36 116.159 116.159 115.891 0.268 25296
30 1 1 . 1 1 37 37 ASP N N 37 120.825 120.825 118.892 1.933 25296
31 1 1 . 1 1 37 37 ASP H H 37 8.838 8.838 8.291 0.547 25296
32 1 1 . 1 1 38 38 ASN N N 38 117.661 117.661 116.322 1.339 25296
33 1 1 . 1 1 39 39 GLU N N 39 120.404 120.404 119.222 1.182 25296
34 1 1 . 1 1 40 40 LEU N N 40 120.350 120.350 121.255 -0.905 25296
35 1 1 . 1 1 41 41 ALA N N 41 118.587 118.587 121.229 -2.642 25296
36 1 1 . 1 1 42 42 VAL N N 42 118.763 118.763 114.812 3.951 25296
37 1 1 . 1 1 43 43 PHE N N 43 123.354 123.354 122.904 0.450 25296
38 1 1 . 1 1 44 44 TYR N N 44 118.850 118.850 118.441 0.409 25296
39 1 1 . 1 1 45 45 SER N N 45 114.529 114.529 115.125 -0.596 25296
40 1 1 . 1 1 46 46 ALA N N 46 125.846 125.846 124.367 1.479 25296
41 1 1 . 1 1 47 47 ALA N N 47 123.097 123.097 121.227 1.870 25296
42 1 1 . 1 1 48 48 ASP N N 48 119.891 119.891 119.073 0.818 25296
43 1 1 . 1 1 49 49 HIS N N 49 119.869 119.869 120.156 -0.287 25296
44 1 1 . 1 1 50 50 ARG N N 50 118.614 118.614 119.873 -1.259 25296
45 1 1 . 1 1 51 51 LEU N N 51 121.642 121.642 119.987 1.655 25296
46 1 1 . 1 1 52 52 ALA N N 52 124.864 124.864 122.447 2.417 25296
47 1 1 . 1 1 53 53 GLU N N 53 117.347 117.347 118.291 -0.944 25296
48 1 1 . 1 1 54 54 LEU N N 54 118.288 118.288 120.250 -1.962 25296
49 1 1 . 1 1 55 55 THR N N 55 116.900 116.900 114.681 2.219 25296
50 1 1 . 1 1 56 56 MET N N 56 116.084 116.084 117.833 -1.749 25296
51 1 1 . 1 1 57 57 ASN N N 57 118.384 118.384 116.085 2.299 25296
52 1 1 . 1 1 58 58 LYS N N 58 117.541 117.541 118.397 -0.856 25296
53 1 1 . 1 1 59 59 LEU N N 59 117.548 117.548 126.948 -9.400 25296
54 1 1 . 1 1 60 60 TYR N N 60 120.559 120.559 122.937 -2.378 25296
55 1 1 . 1 1 62 62 LYS N N 62 118.741 118.741 119.475 -0.734 25296
56 1 1 . 1 1 63 63 ILE N N 63 127.142 127.142 122.034 5.108 25296
57 1 1 . 1 1 67 67 VAL N N 67 123.569 123.569 120.268 3.301 25296
58 1 1 . 1 1 68 68 TRP N N 68 118.947 118.947 119.654 -0.707 25296
59 1 1 . 1 1 69 69 LYS N N 69 117.130 117.130 119.787 -2.657 25296
60 1 1 . 1 1 70 70 PHE N N 70 118.929 118.929 115.442 3.487 25296
61 1 1 . 1 1 71 71 ILE N N 71 117.502 117.502 120.944 -3.442 25296
62 1 2 . 1 1 7 7 THR N N 7 112.417 112.417 116.289 -3.872 25296
63 1 2 . 1 1 8 8 LYS N N 8 121.105 121.105 123.923 -2.818 25296
64 1 2 . 1 1 9 9 THR N N 9 113.324 113.324 112.463 0.861 25296
65 1 2 . 1 1 10 10 ASP N N 10 121.834 121.834 122.693 -0.859 25296
66 1 2 . 1 1 11 11 TYR N N 11 116.789 116.789 118.635 -1.846 25296
67 1 2 . 1 1 12 12 LEU N N 12 121.549 121.549 121.741 -0.192 25296
68 1 2 . 1 1 13 13 MET N N 13 116.111 116.111 115.724 0.387 25296
69 1 2 . 1 1 14 14 ARG N N 14 117.417 117.417 120.578 -3.161 25296
70 1 2 . 1 1 15 15 LEU N N 15 119.519 119.519 118.349 1.170 25296
71 1 2 . 1 1 16 16 ARG N N 16 121.725 121.725 118.034 3.691 25296
72 1 2 . 1 1 17 17 ARG N N 17 115.267 115.267 118.153 -2.886 25296
73 1 2 . 1 1 18 18 CYS N N 18 120.960 120.960 120.357 0.603 25296
74 1 2 . 1 1 20 20 THR N N 20 106.710 106.710 112.724 -6.014 25296
75 1 2 . 1 1 21 21 ILE N N 21 124.640 124.640 115.313 9.327 25296
76 1 2 . 1 1 22 22 ASP N N 22 118.648 118.648 120.847 -2.199 25296
77 1 2 . 1 1 23 23 THR N N 23 115.236 115.236 115.344 -0.108 25296
78 1 2 . 1 1 24 24 LEU N N 24 124.130 124.130 123.258 0.872 25296
79 1 2 . 1 1 25 25 GLU N N 25 117.370 117.370 119.804 -2.434 25296
80 1 2 . 1 1 26 26 ARG N N 26 119.314 119.314 118.801 0.513 25296
81 1 2 . 1 1 27 27 VAL N N 27 122.593 122.593 121.146 1.447 25296
82 1 2 . 1 1 28 28 ILE N N 28 123.569 123.569 115.506 8.063 25296
83 1 2 . 1 1 29 29 GLU N N 29 118.032 118.032 121.061 -3.029 25296
84 1 2 . 1 1 30 30 LYS N N 30 116.536 116.536 118.089 -1.553 25296
85 1 2 . 1 1 31 31 ASN N N 31 117.098 117.098 117.677 -0.579 25296
86 1 2 . 1 1 32 32 LYS N N 32 119.676 119.676 120.154 -0.478 25296
87 1 2 . 1 1 33 33 TYR N N 33 114.106 114.106 115.351 -1.245 25296
88 1 2 . 1 1 34 34 GLU N N 34 117.370 117.370 118.405 -1.035 25296
89 1 2 . 1 1 35 35 LEU N N 35 118.834 118.834 121.416 -2.582 25296
90 1 2 . 1 1 36 36 SER N N 36 116.159 116.159 115.264 0.895 25296
91 1 2 . 1 1 37 37 ASP N N 37 120.825 120.825 119.221 1.604 25296
92 1 2 . 1 1 37 37 ASP H H 37 8.838 8.838 8.464 0.373 25296
93 1 2 . 1 1 38 38 ASN N N 38 117.661 117.661 117.769 -0.108 25296
94 1 2 . 1 1 39 39 GLU N N 39 120.404 120.404 117.398 3.006 25296
95 1 2 . 1 1 40 40 LEU N N 40 120.350 120.350 121.118 -0.768 25296
96 1 2 . 1 1 41 41 ALA N N 41 118.587 118.587 120.788 -2.201 25296
97 1 2 . 1 1 42 42 VAL N N 42 118.763 118.763 112.757 6.006 25296
98 1 2 . 1 1 43 43 PHE N N 43 123.354 123.354 123.733 -0.379 25296
99 1 2 . 1 1 44 44 TYR N N 44 118.850 118.850 119.058 -0.208 25296
100 1 2 . 1 1 45 45 SER N N 45 114.529 114.529 112.958 1.571 25296
101 1 2 . 1 1 46 46 ALA N N 46 125.846 125.846 122.390 3.456 25296
102 1 2 . 1 1 47 47 ALA N N 47 123.097 123.097 122.790 0.307 25296
103 1 2 . 1 1 48 48 ASP N N 48 119.891 119.891 119.065 0.826 25296
104 1 2 . 1 1 49 49 HIS N N 49 119.869 119.869 119.923 -0.054 25296
105 1 2 . 1 1 50 50 ARG N N 50 118.614 118.614 119.667 -1.053 25296
106 1 2 . 1 1 51 51 LEU N N 51 121.642 121.642 120.497 1.145 25296
107 1 2 . 1 1 52 52 ALA N N 52 124.864 124.864 121.694 3.170 25296
108 1 2 . 1 1 53 53 GLU N N 53 117.347 117.347 118.453 -1.106 25296
109 1 2 . 1 1 54 54 LEU N N 54 118.288 118.288 121.219 -2.931 25296
110 1 2 . 1 1 55 55 THR N N 55 116.900 116.900 115.067 1.833 25296
111 1 2 . 1 1 56 56 MET N N 56 116.084 116.084 117.923 -1.839 25296
112 1 2 . 1 1 57 57 ASN N N 57 118.384 118.384 116.740 1.644 25296
113 1 2 . 1 1 58 58 LYS N N 58 117.541 117.541 117.795 -0.254 25296
114 1 2 . 1 1 59 59 LEU N N 59 117.548 117.548 125.088 -7.540 25296
115 1 2 . 1 1 60 60 TYR N N 60 120.559 120.559 124.013 -3.454 25296
116 1 2 . 1 1 62 62 LYS N N 62 118.741 118.741 120.548 -1.807 25296
117 1 2 . 1 1 63 63 ILE N N 63 127.142 127.142 125.675 1.467 25296
118 1 2 . 1 1 67 67 VAL N N 67 123.569 123.569 123.807 -0.238 25296
119 1 2 . 1 1 68 68 TRP N N 68 118.947 118.947 118.869 0.078 25296
120 1 2 . 1 1 69 69 LYS N N 69 117.130 117.130 120.075 -2.945 25296
121 1 2 . 1 1 70 70 PHE N N 70 118.929 118.929 116.215 2.714 25296
122 1 2 . 1 1 71 71 ILE N N 71 117.502 117.502 119.270 -1.768 25296
123 1 3 . 1 1 7 7 THR N N 7 112.417 112.417 115.662 -3.245 25296
124 1 3 . 1 1 8 8 LYS N N 8 121.105 121.105 124.073 -2.968 25296
125 1 3 . 1 1 9 9 THR N N 9 113.324 113.324 112.573 0.751 25296
126 1 3 . 1 1 10 10 ASP N N 10 121.834 121.834 123.117 -1.283 25296
127 1 3 . 1 1 11 11 TYR N N 11 116.789 116.789 119.131 -2.342 25296
128 1 3 . 1 1 12 12 LEU N N 12 121.549 121.549 121.961 -0.412 25296
129 1 3 . 1 1 13 13 MET N N 13 116.111 116.111 116.967 -0.856 25296
130 1 3 . 1 1 14 14 ARG N N 14 117.417 117.417 119.459 -2.042 25296
131 1 3 . 1 1 15 15 LEU N N 15 119.519 119.519 117.635 1.884 25296
132 1 3 . 1 1 16 16 ARG N N 16 121.725 121.725 118.378 3.347 25296
133 1 3 . 1 1 17 17 ARG N N 17 115.267 115.267 117.248 -1.981 25296
134 1 3 . 1 1 18 18 CYS N N 18 120.960 120.960 119.198 1.762 25296
135 1 3 . 1 1 20 20 THR N N 20 106.710 106.710 113.013 -6.303 25296
136 1 3 . 1 1 21 21 ILE N N 21 124.640 124.640 116.282 8.358 25296
137 1 3 . 1 1 22 22 ASP N N 22 118.648 118.648 120.729 -2.081 25296
138 1 3 . 1 1 23 23 THR N N 23 115.236 115.236 115.689 -0.453 25296
139 1 3 . 1 1 24 24 LEU N N 24 124.130 124.130 122.528 1.602 25296
140 1 3 . 1 1 25 25 GLU N N 25 117.370 117.370 118.709 -1.339 25296
141 1 3 . 1 1 26 26 ARG N N 26 119.314 119.314 118.807 0.507 25296
142 1 3 . 1 1 27 27 VAL N N 27 122.593 122.593 121.485 1.108 25296
143 1 3 . 1 1 28 28 ILE N N 28 123.569 123.569 116.660 6.909 25296
144 1 3 . 1 1 29 29 GLU N N 29 118.032 118.032 121.004 -2.972 25296
145 1 3 . 1 1 30 30 LYS N N 30 116.536 116.536 117.781 -1.245 25296
146 1 3 . 1 1 31 31 ASN N N 31 117.098 117.098 118.883 -1.785 25296
147 1 3 . 1 1 32 32 LYS N N 32 119.676 119.676 117.121 2.555 25296
148 1 3 . 1 1 33 33 TYR N N 33 114.106 114.106 114.290 -0.184 25296
149 1 3 . 1 1 34 34 GLU N N 34 117.370 117.370 117.871 -0.501 25296
150 1 3 . 1 1 35 35 LEU N N 35 118.834 118.834 119.544 -0.710 25296
151 1 3 . 1 1 36 36 SER N N 36 116.159 116.159 115.710 0.449 25296
152 1 3 . 1 1 37 37 ASP N N 37 120.825 120.825 118.352 2.473 25296
153 1 3 . 1 1 37 37 ASP H H 37 8.838 8.838 8.595 0.243 25296
154 1 3 . 1 1 38 38 ASN N N 38 117.661 117.661 116.231 1.430 25296
155 1 3 . 1 1 39 39 GLU N N 39 120.404 120.404 118.478 1.926 25296
156 1 3 . 1 1 40 40 LEU N N 40 120.350 120.350 122.093 -1.743 25296
157 1 3 . 1 1 41 41 ALA N N 41 118.587 118.587 121.163 -2.576 25296
158 1 3 . 1 1 42 42 VAL N N 42 118.763 118.763 118.678 0.085 25296
159 1 3 . 1 1 43 43 PHE N N 43 123.354 123.354 122.217 1.137 25296
160 1 3 . 1 1 44 44 TYR N N 44 118.850 118.850 118.895 -0.045 25296
161 1 3 . 1 1 45 45 SER N N 45 114.529 114.529 115.509 -0.980 25296
162 1 3 . 1 1 46 46 ALA N N 46 125.846 125.846 123.814 2.032 25296
163 1 3 . 1 1 47 47 ALA N N 47 123.097 123.097 121.271 1.826 25296
164 1 3 . 1 1 48 48 ASP N N 48 119.891 119.891 118.800 1.091 25296
165 1 3 . 1 1 49 49 HIS N N 49 119.869 119.869 119.625 0.244 25296
166 1 3 . 1 1 50 50 ARG N N 50 118.614 118.614 120.221 -1.607 25296
167 1 3 . 1 1 51 51 LEU N N 51 121.642 121.642 120.075 1.567 25296
168 1 3 . 1 1 52 52 ALA N N 52 124.864 124.864 122.074 2.790 25296
169 1 3 . 1 1 53 53 GLU N N 53 117.347 117.347 118.389 -1.042 25296
170 1 3 . 1 1 54 54 LEU N N 54 118.288 118.288 121.388 -3.100 25296
171 1 3 . 1 1 55 55 THR N N 55 116.900 116.900 114.687 2.213 25296
172 1 3 . 1 1 56 56 MET N N 56 116.084 116.084 118.091 -2.007 25296
173 1 3 . 1 1 57 57 ASN N N 57 118.384 118.384 117.208 1.176 25296
174 1 3 . 1 1 58 58 LYS N N 58 117.541 117.541 118.220 -0.679 25296
175 1 3 . 1 1 59 59 LEU N N 59 117.548 117.548 124.628 -7.080 25296
176 1 3 . 1 1 60 60 TYR N N 60 120.559 120.559 124.483 -3.924 25296
177 1 3 . 1 1 62 62 LYS N N 62 118.741 118.741 119.020 -0.279 25296
178 1 3 . 1 1 63 63 ILE N N 63 127.142 127.142 122.732 4.410 25296
179 1 3 . 1 1 67 67 VAL N N 67 123.569 123.569 120.847 2.722 25296
180 1 3 . 1 1 68 68 TRP N N 68 118.947 118.947 119.981 -1.034 25296
181 1 3 . 1 1 69 69 LYS N N 69 117.130 117.130 120.171 -3.041 25296
182 1 3 . 1 1 70 70 PHE N N 70 118.929 118.929 115.196 3.733 25296
183 1 3 . 1 1 71 71 ILE N N 71 117.502 117.502 120.451 -2.949 25296
184 1 4 . 1 1 7 7 THR N N 7 112.417 112.417 116.363 -3.946 25296
185 1 4 . 1 1 8 8 LYS N N 8 121.105 121.105 124.219 -3.114 25296
186 1 4 . 1 1 9 9 THR N N 9 113.324 113.324 111.225 2.099 25296
187 1 4 . 1 1 10 10 ASP N N 10 121.834 121.834 122.879 -1.045 25296
188 1 4 . 1 1 11 11 TYR N N 11 116.789 116.789 119.519 -2.730 25296
189 1 4 . 1 1 12 12 LEU N N 12 121.549 121.549 121.293 0.256 25296
190 1 4 . 1 1 13 13 MET N N 13 116.111 116.111 115.864 0.247 25296
191 1 4 . 1 1 14 14 ARG N N 14 117.417 117.417 119.391 -1.974 25296
192 1 4 . 1 1 15 15 LEU N N 15 119.519 119.519 116.428 3.091 25296
193 1 4 . 1 1 16 16 ARG N N 16 121.725 121.725 118.933 2.792 25296
194 1 4 . 1 1 17 17 ARG N N 17 115.267 115.267 116.295 -1.028 25296
195 1 4 . 1 1 18 18 CYS N N 18 120.960 120.960 119.437 1.523 25296
196 1 4 . 1 1 20 20 THR N N 20 106.710 106.710 113.047 -6.337 25296
197 1 4 . 1 1 21 21 ILE N N 21 124.640 124.640 116.299 8.341 25296
198 1 4 . 1 1 22 22 ASP N N 22 118.648 118.648 121.497 -2.849 25296
199 1 4 . 1 1 23 23 THR N N 23 115.236 115.236 112.985 2.251 25296
200 1 4 . 1 1 24 24 LEU N N 24 124.130 124.130 123.191 0.939 25296
201 1 4 . 1 1 25 25 GLU N N 25 117.370 117.370 116.446 0.924 25296
202 1 4 . 1 1 26 26 ARG N N 26 119.314 119.314 118.862 0.452 25296
203 1 4 . 1 1 27 27 VAL N N 27 122.593 122.593 121.416 1.177 25296
204 1 4 . 1 1 28 28 ILE N N 28 123.569 123.569 116.204 7.365 25296
205 1 4 . 1 1 29 29 GLU N N 29 118.032 118.032 120.941 -2.909 25296
206 1 4 . 1 1 30 30 LYS N N 30 116.536 116.536 119.005 -2.469 25296
207 1 4 . 1 1 31 31 ASN N N 31 117.098 117.098 118.021 -0.923 25296
208 1 4 . 1 1 32 32 LYS N N 32 119.676 119.676 119.826 -0.150 25296
209 1 4 . 1 1 33 33 TYR N N 33 114.106 114.106 114.417 -0.311 25296
210 1 4 . 1 1 34 34 GLU N N 34 117.370 117.370 118.327 -0.957 25296
211 1 4 . 1 1 35 35 LEU N N 35 118.834 118.834 119.210 -0.376 25296
212 1 4 . 1 1 36 36 SER N N 36 116.159 116.159 115.358 0.801 25296
213 1 4 . 1 1 37 37 ASP N N 37 120.825 120.825 118.403 2.422 25296
214 1 4 . 1 1 37 37 ASP H H 37 8.838 8.838 8.356 0.482 25296
215 1 4 . 1 1 38 38 ASN N N 38 117.661 117.661 116.353 1.308 25296
216 1 4 . 1 1 39 39 GLU N N 39 120.404 120.404 119.114 1.290 25296
217 1 4 . 1 1 40 40 LEU N N 40 120.350 120.350 121.536 -1.186 25296
218 1 4 . 1 1 41 41 ALA N N 41 118.587 118.587 121.612 -3.025 25296
219 1 4 . 1 1 42 42 VAL N N 42 118.763 118.763 115.342 3.421 25296
220 1 4 . 1 1 43 43 PHE N N 43 123.354 123.354 122.533 0.821 25296
221 1 4 . 1 1 44 44 TYR N N 44 118.850 118.850 118.693 0.157 25296
222 1 4 . 1 1 45 45 SER N N 45 114.529 114.529 114.967 -0.438 25296
223 1 4 . 1 1 46 46 ALA N N 46 125.846 125.846 123.780 2.066 25296
224 1 4 . 1 1 47 47 ALA N N 47 123.097 123.097 121.647 1.450 25296
225 1 4 . 1 1 48 48 ASP N N 48 119.891 119.891 119.132 0.759 25296
226 1 4 . 1 1 49 49 HIS N N 49 119.869 119.869 119.577 0.292 25296
227 1 4 . 1 1 50 50 ARG N N 50 118.614 118.614 119.811 -1.197 25296
228 1 4 . 1 1 51 51 LEU N N 51 121.642 121.642 120.198 1.444 25296
229 1 4 . 1 1 52 52 ALA N N 52 124.864 124.864 122.173 2.691 25296
230 1 4 . 1 1 53 53 GLU N N 53 117.347 117.347 118.104 -0.757 25296
231 1 4 . 1 1 54 54 LEU N N 54 118.288 118.288 121.056 -2.768 25296
232 1 4 . 1 1 55 55 THR N N 55 116.900 116.900 115.310 1.590 25296
233 1 4 . 1 1 56 56 MET N N 56 116.084 116.084 117.393 -1.309 25296
234 1 4 . 1 1 57 57 ASN N N 57 118.384 118.384 116.607 1.777 25296
235 1 4 . 1 1 58 58 LYS N N 58 117.541 117.541 119.409 -1.868 25296
236 1 4 . 1 1 59 59 LEU N N 59 117.548 117.548 125.212 -7.664 25296
237 1 4 . 1 1 60 60 TYR N N 60 120.559 120.559 125.256 -4.697 25296
238 1 4 . 1 1 62 62 LYS N N 62 118.741 118.741 119.144 -0.403 25296
239 1 4 . 1 1 63 63 ILE N N 63 127.142 127.142 125.934 1.208 25296
240 1 4 . 1 1 67 67 VAL N N 67 123.569 123.569 120.711 2.858 25296
241 1 4 . 1 1 68 68 TRP N N 68 118.947 118.947 120.102 -1.155 25296
242 1 4 . 1 1 69 69 LYS N N 69 117.130 117.130 119.381 -2.251 25296
243 1 4 . 1 1 70 70 PHE N N 70 118.929 118.929 115.956 2.973 25296
244 1 4 . 1 1 71 71 ILE N N 71 117.502 117.502 120.426 -2.924 25296
245 1 5 . 1 1 7 7 THR N N 7 112.417 112.417 115.359 -2.942 25296
246 1 5 . 1 1 8 8 LYS N N 8 121.105 121.105 121.613 -0.508 25296
247 1 5 . 1 1 9 9 THR N N 9 113.324 113.324 114.673 -1.349 25296
248 1 5 . 1 1 10 10 ASP N N 10 121.834 121.834 122.384 -0.550 25296
249 1 5 . 1 1 11 11 TYR N N 11 116.789 116.789 118.756 -1.967 25296
250 1 5 . 1 1 12 12 LEU N N 12 121.549 121.549 122.502 -0.953 25296
251 1 5 . 1 1 13 13 MET N N 13 116.111 116.111 115.841 0.270 25296
252 1 5 . 1 1 14 14 ARG N N 14 117.417 117.417 119.128 -1.711 25296
253 1 5 . 1 1 15 15 LEU N N 15 119.519 119.519 117.855 1.664 25296
254 1 5 . 1 1 16 16 ARG N N 16 121.725 121.725 118.891 2.834 25296
255 1 5 . 1 1 17 17 ARG N N 17 115.267 115.267 116.680 -1.413 25296
256 1 5 . 1 1 18 18 CYS N N 18 120.960 120.960 120.868 0.092 25296
257 1 5 . 1 1 20 20 THR N N 20 106.710 106.710 109.465 -2.755 25296
258 1 5 . 1 1 21 21 ILE N N 21 124.640 124.640 115.891 8.749 25296
259 1 5 . 1 1 22 22 ASP N N 22 118.648 118.648 120.513 -1.865 25296
260 1 5 . 1 1 23 23 THR N N 23 115.236 115.236 115.936 -0.700 25296
261 1 5 . 1 1 24 24 LEU N N 24 124.130 124.130 123.169 0.961 25296
262 1 5 . 1 1 25 25 GLU N N 25 117.370 117.370 118.300 -0.930 25296
263 1 5 . 1 1 26 26 ARG N N 26 119.314 119.314 117.756 1.558 25296
264 1 5 . 1 1 27 27 VAL N N 27 122.593 122.593 121.908 0.685 25296
265 1 5 . 1 1 28 28 ILE N N 28 123.569 123.569 115.914 7.655 25296
266 1 5 . 1 1 29 29 GLU N N 29 118.032 118.032 121.389 -3.357 25296
267 1 5 . 1 1 30 30 LYS N N 30 116.536 116.536 118.725 -2.189 25296
268 1 5 . 1 1 31 31 ASN N N 31 117.098 117.098 117.057 0.041 25296
269 1 5 . 1 1 32 32 LYS N N 32 119.676 119.676 120.650 -0.974 25296
270 1 5 . 1 1 33 33 TYR N N 33 114.106 114.106 113.998 0.108 25296
271 1 5 . 1 1 34 34 GLU N N 34 117.370 117.370 118.707 -1.337 25296
272 1 5 . 1 1 35 35 LEU N N 35 118.834 118.834 119.423 -0.589 25296
273 1 5 . 1 1 36 36 SER N N 36 116.159 116.159 115.497 0.662 25296
274 1 5 . 1 1 37 37 ASP N N 37 120.825 120.825 118.100 2.725 25296
275 1 5 . 1 1 37 37 ASP H H 37 8.838 8.838 8.328 0.510 25296
276 1 5 . 1 1 38 38 ASN N N 38 117.661 117.661 116.516 1.145 25296
277 1 5 . 1 1 39 39 GLU N N 39 120.404 120.404 119.180 1.224 25296
278 1 5 . 1 1 40 40 LEU N N 40 120.350 120.350 120.372 -0.022 25296
279 1 5 . 1 1 41 41 ALA N N 41 118.587 118.587 120.348 -1.761 25296
280 1 5 . 1 1 42 42 VAL N N 42 118.763 118.763 113.822 4.941 25296
281 1 5 . 1 1 43 43 PHE N N 43 123.354 123.354 123.096 0.258 25296
282 1 5 . 1 1 44 44 TYR N N 44 118.850 118.850 118.812 0.038 25296
283 1 5 . 1 1 45 45 SER N N 45 114.529 114.529 114.208 0.321 25296
284 1 5 . 1 1 46 46 ALA N N 46 125.846 125.846 123.991 1.855 25296
285 1 5 . 1 1 47 47 ALA N N 47 123.097 123.097 120.804 2.293 25296
286 1 5 . 1 1 48 48 ASP N N 48 119.891 119.891 118.865 1.026 25296
287 1 5 . 1 1 49 49 HIS N N 49 119.869 119.869 119.439 0.430 25296
288 1 5 . 1 1 50 50 ARG N N 50 118.614 118.614 120.225 -1.611 25296
289 1 5 . 1 1 51 51 LEU N N 51 121.642 121.642 119.702 1.940 25296
290 1 5 . 1 1 52 52 ALA N N 52 124.864 124.864 122.470 2.394 25296
291 1 5 . 1 1 53 53 GLU N N 53 117.347 117.347 117.893 -0.546 25296
292 1 5 . 1 1 54 54 LEU N N 54 118.288 118.288 120.285 -1.997 25296
293 1 5 . 1 1 55 55 THR N N 55 116.900 116.900 114.688 2.212 25296
294 1 5 . 1 1 56 56 MET N N 56 116.084 116.084 117.697 -1.613 25296
295 1 5 . 1 1 57 57 ASN N N 57 118.384 118.384 116.382 2.002 25296
296 1 5 . 1 1 58 58 LYS N N 58 117.541 117.541 118.226 -0.685 25296
297 1 5 . 1 1 59 59 LEU N N 59 117.548 117.548 126.336 -8.788 25296
298 1 5 . 1 1 60 60 TYR N N 60 120.559 120.559 123.120 -2.561 25296
299 1 5 . 1 1 62 62 LYS N N 62 118.741 118.741 117.748 0.993 25296
300 1 5 . 1 1 63 63 ILE N N 63 127.142 127.142 119.961 7.181 25296
301 1 5 . 1 1 67 67 VAL N N 67 123.569 123.569 120.240 3.329 25296
302 1 5 . 1 1 68 68 TRP N N 68 118.947 118.947 120.797 -1.850 25296
303 1 5 . 1 1 69 69 LYS N N 69 117.130 117.130 118.919 -1.789 25296
304 1 5 . 1 1 70 70 PHE N N 70 118.929 118.929 116.284 2.645 25296
305 1 5 . 1 1 71 71 ILE N N 71 117.502 117.502 119.659 -2.157 25296
306 1 6 . 1 1 7 7 THR N N 7 112.417 112.417 115.282 -2.865 25296
307 1 6 . 1 1 8 8 LYS N N 8 121.105 121.105 122.925 -1.820 25296
308 1 6 . 1 1 9 9 THR N N 9 113.324 113.324 111.481 1.843 25296
309 1 6 . 1 1 10 10 ASP N N 10 121.834 121.834 122.775 -0.941 25296
310 1 6 . 1 1 11 11 TYR N N 11 116.789 116.789 118.796 -2.007 25296
311 1 6 . 1 1 12 12 LEU N N 12 121.549 121.549 122.025 -0.476 25296
312 1 6 . 1 1 13 13 MET N N 13 116.111 116.111 115.194 0.917 25296
313 1 6 . 1 1 14 14 ARG N N 14 117.417 117.417 120.840 -3.423 25296
314 1 6 . 1 1 15 15 LEU N N 15 119.519 119.519 118.393 1.126 25296
315 1 6 . 1 1 16 16 ARG N N 16 121.725 121.725 118.158 3.567 25296
316 1 6 . 1 1 17 17 ARG N N 17 115.267 115.267 117.038 -1.771 25296
317 1 6 . 1 1 18 18 CYS N N 18 120.960 120.960 121.665 -0.705 25296
318 1 6 . 1 1 20 20 THR N N 20 106.710 106.710 112.734 -6.024 25296
319 1 6 . 1 1 21 21 ILE N N 21 124.640 124.640 114.958 9.682 25296
320 1 6 . 1 1 22 22 ASP N N 22 118.648 118.648 120.748 -2.100 25296
321 1 6 . 1 1 23 23 THR N N 23 115.236 115.236 115.839 -0.603 25296
322 1 6 . 1 1 24 24 LEU N N 24 124.130 124.130 122.929 1.201 25296
323 1 6 . 1 1 25 25 GLU N N 25 117.370 117.370 119.247 -1.877 25296
324 1 6 . 1 1 26 26 ARG N N 26 119.314 119.314 118.640 0.674 25296
325 1 6 . 1 1 27 27 VAL N N 27 122.593 122.593 120.910 1.683 25296
326 1 6 . 1 1 28 28 ILE N N 28 123.569 123.569 116.112 7.457 25296
327 1 6 . 1 1 29 29 GLU N N 29 118.032 118.032 120.361 -2.329 25296
328 1 6 . 1 1 30 30 LYS N N 30 116.536 116.536 118.542 -2.006 25296
329 1 6 . 1 1 31 31 ASN N N 31 117.098 117.098 117.808 -0.710 25296
330 1 6 . 1 1 32 32 LYS N N 32 119.676 119.676 119.786 -0.110 25296
331 1 6 . 1 1 33 33 TYR N N 33 114.106 114.106 114.061 0.045 25296
332 1 6 . 1 1 34 34 GLU N N 34 117.370 117.370 118.328 -0.958 25296
333 1 6 . 1 1 35 35 LEU N N 35 118.834 118.834 121.191 -2.357 25296
334 1 6 . 1 1 36 36 SER N N 36 116.159 116.159 115.288 0.871 25296
335 1 6 . 1 1 37 37 ASP N N 37 120.825 120.825 119.342 1.483 25296
336 1 6 . 1 1 37 37 ASP H H 37 8.838 8.838 8.691 0.147 25296
337 1 6 . 1 1 38 38 ASN N N 38 117.661 117.661 118.887 -1.226 25296
338 1 6 . 1 1 39 39 GLU N N 39 120.404 120.404 117.276 3.128 25296
339 1 6 . 1 1 40 40 LEU N N 40 120.350 120.350 121.374 -1.024 25296
340 1 6 . 1 1 41 41 ALA N N 41 118.587 118.587 121.503 -2.916 25296
341 1 6 . 1 1 42 42 VAL N N 42 118.763 118.763 114.664 4.099 25296
342 1 6 . 1 1 43 43 PHE N N 43 123.354 123.354 122.225 1.129 25296
343 1 6 . 1 1 44 44 TYR N N 44 118.850 118.850 118.907 -0.057 25296
344 1 6 . 1 1 45 45 SER N N 45 114.529 114.529 114.718 -0.189 25296
345 1 6 . 1 1 46 46 ALA N N 46 125.846 125.846 124.519 1.327 25296
346 1 6 . 1 1 47 47 ALA N N 47 123.097 123.097 121.209 1.888 25296
347 1 6 . 1 1 48 48 ASP N N 48 119.891 119.891 119.123 0.768 25296
348 1 6 . 1 1 49 49 HIS N N 49 119.869 119.869 120.406 -0.537 25296
349 1 6 . 1 1 50 50 ARG N N 50 118.614 118.614 119.615 -1.001 25296
350 1 6 . 1 1 51 51 LEU N N 51 121.642 121.642 119.935 1.707 25296
351 1 6 . 1 1 52 52 ALA N N 52 124.864 124.864 121.885 2.979 25296
352 1 6 . 1 1 53 53 GLU N N 53 117.347 117.347 117.849 -0.502 25296
353 1 6 . 1 1 54 54 LEU N N 54 118.288 118.288 121.546 -3.258 25296
354 1 6 . 1 1 55 55 THR N N 55 116.900 116.900 114.614 2.286 25296
355 1 6 . 1 1 56 56 MET N N 56 116.084 116.084 117.510 -1.426 25296
356 1 6 . 1 1 57 57 ASN N N 57 118.384 118.384 115.944 2.440 25296
357 1 6 . 1 1 58 58 LYS N N 58 117.541 117.541 119.138 -1.597 25296
358 1 6 . 1 1 59 59 LEU N N 59 117.548 117.548 125.105 -7.557 25296
359 1 6 . 1 1 60 60 TYR N N 60 120.559 120.559 124.250 -3.691 25296
360 1 6 . 1 1 62 62 LYS N N 62 118.741 118.741 119.780 -1.039 25296
361 1 6 . 1 1 63 63 ILE N N 63 127.142 127.142 123.893 3.249 25296
362 1 6 . 1 1 67 67 VAL N N 67 123.569 123.569 121.063 2.506 25296
363 1 6 . 1 1 68 68 TRP N N 68 118.947 118.947 120.853 -1.906 25296
364 1 6 . 1 1 69 69 LYS N N 69 117.130 117.130 118.274 -1.144 25296
365 1 6 . 1 1 70 70 PHE N N 70 118.929 118.929 116.607 2.322 25296
366 1 6 . 1 1 71 71 ILE N N 71 117.502 117.502 120.759 -3.257 25296
367 1 7 . 1 1 7 7 THR N N 7 112.417 112.417 114.178 -1.761 25296
368 1 7 . 1 1 8 8 LYS N N 8 121.105 121.105 123.003 -1.898 25296
369 1 7 . 1 1 9 9 THR N N 9 113.324 113.324 112.530 0.794 25296
370 1 7 . 1 1 10 10 ASP N N 10 121.834 121.834 122.977 -1.143 25296
371 1 7 . 1 1 11 11 TYR N N 11 116.789 116.789 118.632 -1.843 25296
372 1 7 . 1 1 12 12 LEU N N 12 121.549 121.549 121.458 0.091 25296
373 1 7 . 1 1 13 13 MET N N 13 116.111 116.111 116.335 -0.224 25296
374 1 7 . 1 1 14 14 ARG N N 14 117.417 117.417 120.090 -2.673 25296
375 1 7 . 1 1 15 15 LEU N N 15 119.519 119.519 116.714 2.805 25296
376 1 7 . 1 1 16 16 ARG N N 16 121.725 121.725 118.950 2.775 25296
377 1 7 . 1 1 17 17 ARG N N 17 115.267 115.267 116.387 -1.120 25296
378 1 7 . 1 1 18 18 CYS N N 18 120.960 120.960 120.745 0.215 25296
379 1 7 . 1 1 20 20 THR N N 20 106.710 106.710 113.230 -6.520 25296
380 1 7 . 1 1 21 21 ILE N N 21 124.640 124.640 114.842 9.798 25296
381 1 7 . 1 1 22 22 ASP N N 22 118.648 118.648 120.520 -1.872 25296
382 1 7 . 1 1 23 23 THR N N 23 115.236 115.236 115.462 -0.226 25296
383 1 7 . 1 1 24 24 LEU N N 24 124.130 124.130 123.470 0.660 25296
384 1 7 . 1 1 25 25 GLU N N 25 117.370 117.370 118.365 -0.995 25296
385 1 7 . 1 1 26 26 ARG N N 26 119.314 119.314 118.101 1.213 25296
386 1 7 . 1 1 27 27 VAL N N 27 122.593 122.593 121.517 1.076 25296
387 1 7 . 1 1 28 28 ILE N N 28 123.569 123.569 115.711 7.858 25296
388 1 7 . 1 1 29 29 GLU N N 29 118.032 118.032 121.177 -3.145 25296
389 1 7 . 1 1 30 30 LYS N N 30 116.536 116.536 118.190 -1.654 25296
390 1 7 . 1 1 31 31 ASN N N 31 117.098 117.098 117.667 -0.569 25296
391 1 7 . 1 1 32 32 LYS N N 32 119.676 119.676 118.671 1.005 25296
392 1 7 . 1 1 33 33 TYR N N 33 114.106 114.106 114.769 -0.663 25296
393 1 7 . 1 1 34 34 GLU N N 34 117.370 117.370 118.173 -0.803 25296
394 1 7 . 1 1 35 35 LEU N N 35 118.834 118.834 120.496 -1.662 25296
395 1 7 . 1 1 36 36 SER N N 36 116.159 116.159 115.107 1.052 25296
396 1 7 . 1 1 37 37 ASP N N 37 120.825 120.825 117.838 2.987 25296
397 1 7 . 1 1 37 37 ASP H H 37 8.838 8.838 8.583 0.255 25296
398 1 7 . 1 1 38 38 ASN N N 38 117.661 117.661 116.628 1.033 25296
399 1 7 . 1 1 39 39 GLU N N 39 120.404 120.404 118.359 2.045 25296
400 1 7 . 1 1 40 40 LEU N N 40 120.350 120.350 120.878 -0.528 25296
401 1 7 . 1 1 41 41 ALA N N 41 118.587 118.587 120.914 -2.327 25296
402 1 7 . 1 1 42 42 VAL N N 42 118.763 118.763 114.491 4.272 25296
403 1 7 . 1 1 43 43 PHE N N 43 123.354 123.354 123.179 0.175 25296
404 1 7 . 1 1 44 44 TYR N N 44 118.850 118.850 117.579 1.271 25296
405 1 7 . 1 1 45 45 SER N N 45 114.529 114.529 114.115 0.414 25296
406 1 7 . 1 1 46 46 ALA N N 46 125.846 125.846 123.730 2.116 25296
407 1 7 . 1 1 47 47 ALA N N 47 123.097 123.097 122.067 1.030 25296
408 1 7 . 1 1 48 48 ASP N N 48 119.891 119.891 118.484 1.407 25296
409 1 7 . 1 1 49 49 HIS N N 49 119.869 119.869 120.071 -0.202 25296
410 1 7 . 1 1 50 50 ARG N N 50 118.614 118.614 119.623 -1.009 25296
411 1 7 . 1 1 51 51 LEU N N 51 121.642 121.642 120.217 1.425 25296
412 1 7 . 1 1 52 52 ALA N N 52 124.864 124.864 122.012 2.852 25296
413 1 7 . 1 1 53 53 GLU N N 53 117.347 117.347 117.921 -0.574 25296
414 1 7 . 1 1 54 54 LEU N N 54 118.288 118.288 121.366 -3.078 25296
415 1 7 . 1 1 55 55 THR N N 55 116.900 116.900 114.700 2.200 25296
416 1 7 . 1 1 56 56 MET N N 56 116.084 116.084 118.424 -2.340 25296
417 1 7 . 1 1 57 57 ASN N N 57 118.384 118.384 116.666 1.718 25296
418 1 7 . 1 1 58 58 LYS N N 58 117.541 117.541 117.920 -0.379 25296
419 1 7 . 1 1 59 59 LEU N N 59 117.548 117.548 126.113 -8.565 25296
420 1 7 . 1 1 60 60 TYR N N 60 120.559 120.559 125.701 -5.142 25296
421 1 7 . 1 1 62 62 LYS N N 62 118.741 118.741 119.658 -0.917 25296
422 1 7 . 1 1 63 63 ILE N N 63 127.142 127.142 123.955 3.187 25296
423 1 7 . 1 1 67 67 VAL N N 67 123.569 123.569 122.549 1.020 25296
424 1 7 . 1 1 68 68 TRP N N 68 118.947 118.947 119.833 -0.886 25296
425 1 7 . 1 1 69 69 LYS N N 69 117.130 117.130 120.085 -2.955 25296
426 1 7 . 1 1 70 70 PHE N N 70 118.929 118.929 115.474 3.455 25296
427 1 7 . 1 1 71 71 ILE N N 71 117.502 117.502 120.069 -2.567 25296
428 1 8 . 1 1 7 7 THR N N 7 112.417 112.417 115.277 -2.860 25296
429 1 8 . 1 1 8 8 LYS N N 8 121.105 121.105 123.035 -1.930 25296
430 1 8 . 1 1 9 9 THR N N 9 113.324 113.324 111.955 1.369 25296
431 1 8 . 1 1 10 10 ASP N N 10 121.834 121.834 122.789 -0.955 25296
432 1 8 . 1 1 11 11 TYR N N 11 116.789 116.789 118.952 -2.163 25296
433 1 8 . 1 1 12 12 LEU N N 12 121.549 121.549 121.729 -0.180 25296
434 1 8 . 1 1 13 13 MET N N 13 116.111 116.111 116.240 -0.129 25296
435 1 8 . 1 1 14 14 ARG N N 14 117.417 117.417 119.108 -1.691 25296
436 1 8 . 1 1 15 15 LEU N N 15 119.519 119.519 118.976 0.543 25296
437 1 8 . 1 1 16 16 ARG N N 16 121.725 121.725 117.042 4.683 25296
438 1 8 . 1 1 17 17 ARG N N 17 115.267 115.267 116.357 -1.090 25296
439 1 8 . 1 1 18 18 CYS N N 18 120.960 120.960 120.147 0.813 25296
440 1 8 . 1 1 20 20 THR N N 20 106.710 106.710 111.837 -5.127 25296
441 1 8 . 1 1 21 21 ILE N N 21 124.640 124.640 114.865 9.775 25296
442 1 8 . 1 1 22 22 ASP N N 22 118.648 118.648 120.581 -1.933 25296
443 1 8 . 1 1 23 23 THR N N 23 115.236 115.236 115.972 -0.736 25296
444 1 8 . 1 1 24 24 LEU N N 24 124.130 124.130 123.140 0.990 25296
445 1 8 . 1 1 25 25 GLU N N 25 117.370 117.370 119.368 -1.998 25296
446 1 8 . 1 1 26 26 ARG N N 26 119.314 119.314 118.788 0.526 25296
447 1 8 . 1 1 27 27 VAL N N 27 122.593 122.593 121.508 1.085 25296
448 1 8 . 1 1 28 28 ILE N N 28 123.569 123.569 116.681 6.888 25296
449 1 8 . 1 1 29 29 GLU N N 29 118.032 118.032 119.932 -1.900 25296
450 1 8 . 1 1 30 30 LYS N N 30 116.536 116.536 117.882 -1.346 25296
451 1 8 . 1 1 31 31 ASN N N 31 117.098 117.098 117.082 0.016 25296
452 1 8 . 1 1 32 32 LYS N N 32 119.676 119.676 118.766 0.910 25296
453 1 8 . 1 1 33 33 TYR N N 33 114.106 114.106 114.008 0.098 25296
454 1 8 . 1 1 34 34 GLU N N 34 117.370 117.370 118.396 -1.026 25296
455 1 8 . 1 1 35 35 LEU N N 35 118.834 118.834 119.852 -1.018 25296
456 1 8 . 1 1 36 36 SER N N 36 116.159 116.159 114.764 1.395 25296
457 1 8 . 1 1 37 37 ASP N N 37 120.825 120.825 117.787 3.038 25296
458 1 8 . 1 1 37 37 ASP H H 37 8.838 8.838 8.159 0.679 25296
459 1 8 . 1 1 38 38 ASN N N 38 117.661 117.661 117.601 0.060 25296
460 1 8 . 1 1 39 39 GLU N N 39 120.404 120.404 119.461 0.943 25296
461 1 8 . 1 1 40 40 LEU N N 40 120.350 120.350 120.669 -0.319 25296
462 1 8 . 1 1 41 41 ALA N N 41 118.587 118.587 121.262 -2.675 25296
463 1 8 . 1 1 42 42 VAL N N 42 118.763 118.763 114.587 4.176 25296
464 1 8 . 1 1 43 43 PHE N N 43 123.354 123.354 122.991 0.363 25296
465 1 8 . 1 1 44 44 TYR N N 44 118.850 118.850 118.532 0.318 25296
466 1 8 . 1 1 45 45 SER N N 45 114.529 114.529 115.118 -0.589 25296
467 1 8 . 1 1 46 46 ALA N N 46 125.846 125.846 124.527 1.319 25296
468 1 8 . 1 1 47 47 ALA N N 47 123.097 123.097 121.285 1.812 25296
469 1 8 . 1 1 48 48 ASP N N 48 119.891 119.891 119.051 0.840 25296
470 1 8 . 1 1 49 49 HIS N N 49 119.869 119.869 120.374 -0.505 25296
471 1 8 . 1 1 50 50 ARG N N 50 118.614 118.614 119.776 -1.162 25296
472 1 8 . 1 1 51 51 LEU N N 51 121.642 121.642 120.018 1.624 25296
473 1 8 . 1 1 52 52 ALA N N 52 124.864 124.864 122.342 2.522 25296
474 1 8 . 1 1 53 53 GLU N N 53 117.347 117.347 117.968 -0.621 25296
475 1 8 . 1 1 54 54 LEU N N 54 118.288 118.288 120.675 -2.387 25296
476 1 8 . 1 1 55 55 THR N N 55 116.900 116.900 114.411 2.489 25296
477 1 8 . 1 1 56 56 MET N N 56 116.084 116.084 117.547 -1.463 25296
478 1 8 . 1 1 57 57 ASN N N 57 118.384 118.384 118.059 0.325 25296
479 1 8 . 1 1 58 58 LYS N N 58 117.541 117.541 119.358 -1.817 25296
480 1 8 . 1 1 59 59 LEU N N 59 117.548 117.548 125.685 -8.137 25296
481 1 8 . 1 1 60 60 TYR N N 60 120.559 120.559 124.663 -4.104 25296
482 1 8 . 1 1 62 62 LYS N N 62 118.741 118.741 118.974 -0.233 25296
483 1 8 . 1 1 63 63 ILE N N 63 127.142 127.142 120.758 6.384 25296
484 1 8 . 1 1 67 67 VAL N N 67 123.569 123.569 120.991 2.578 25296
485 1 8 . 1 1 68 68 TRP N N 68 118.947 118.947 120.569 -1.622 25296
486 1 8 . 1 1 69 69 LYS N N 69 117.130 117.130 120.001 -2.871 25296
487 1 8 . 1 1 70 70 PHE N N 70 118.929 118.929 115.441 3.488 25296
488 1 8 . 1 1 71 71 ILE N N 71 117.502 117.502 120.448 -2.946 25296
489 1 9 . 1 1 7 7 THR N N 7 112.417 112.417 115.702 -3.285 25296
490 1 9 . 1 1 8 8 LYS N N 8 121.105 121.105 121.002 0.103 25296
491 1 9 . 1 1 9 9 THR N N 9 113.324 113.324 112.595 0.729 25296
492 1 9 . 1 1 10 10 ASP N N 10 121.834 121.834 120.874 0.960 25296
493 1 9 . 1 1 11 11 TYR N N 11 116.789 116.789 117.940 -1.151 25296
494 1 9 . 1 1 12 12 LEU N N 12 121.549 121.549 123.151 -1.602 25296
495 1 9 . 1 1 13 13 MET N N 13 116.111 116.111 114.916 1.195 25296
496 1 9 . 1 1 14 14 ARG N N 14 117.417 117.417 118.405 -0.988 25296
497 1 9 . 1 1 15 15 LEU N N 15 119.519 119.519 119.725 -0.206 25296
498 1 9 . 1 1 16 16 ARG N N 16 121.725 121.725 118.721 3.004 25296
499 1 9 . 1 1 17 17 ARG N N 17 115.267 115.267 117.463 -2.196 25296
500 1 9 . 1 1 18 18 CYS N N 18 120.960 120.960 120.541 0.419 25296
501 1 9 . 1 1 20 20 THR N N 20 106.710 106.710 112.514 -5.804 25296
502 1 9 . 1 1 21 21 ILE N N 21 124.640 124.640 115.932 8.708 25296
503 1 9 . 1 1 22 22 ASP N N 22 118.648 118.648 121.206 -2.558 25296
504 1 9 . 1 1 23 23 THR N N 23 115.236 115.236 115.433 -0.197 25296
505 1 9 . 1 1 24 24 LEU N N 24 124.130 124.130 122.313 1.817 25296
506 1 9 . 1 1 25 25 GLU N N 25 117.370 117.370 119.314 -1.944 25296
507 1 9 . 1 1 26 26 ARG N N 26 119.314 119.314 119.376 -0.062 25296
508 1 9 . 1 1 27 27 VAL N N 27 122.593 122.593 121.043 1.550 25296
509 1 9 . 1 1 28 28 ILE N N 28 123.569 123.569 116.623 6.946 25296
510 1 9 . 1 1 29 29 GLU N N 29 118.032 118.032 120.938 -2.906 25296
511 1 9 . 1 1 30 30 LYS N N 30 116.536 116.536 117.961 -1.425 25296
512 1 9 . 1 1 31 31 ASN N N 31 117.098 117.098 118.037 -0.939 25296
513 1 9 . 1 1 32 32 LYS N N 32 119.676 119.676 118.617 1.059 25296
514 1 9 . 1 1 33 33 TYR N N 33 114.106 114.106 115.471 -1.365 25296
515 1 9 . 1 1 34 34 GLU N N 34 117.370 117.370 118.556 -1.186 25296
516 1 9 . 1 1 35 35 LEU N N 35 118.834 118.834 119.997 -1.163 25296
517 1 9 . 1 1 36 36 SER N N 36 116.159 116.159 114.993 1.166 25296
518 1 9 . 1 1 37 37 ASP N N 37 120.825 120.825 118.352 2.473 25296
519 1 9 . 1 1 37 37 ASP H H 37 8.838 8.838 8.304 0.534 25296
520 1 9 . 1 1 38 38 ASN N N 38 117.661 117.661 116.147 1.514 25296
521 1 9 . 1 1 39 39 GLU N N 39 120.404 120.404 119.086 1.318 25296
522 1 9 . 1 1 40 40 LEU N N 40 120.350 120.350 120.564 -0.214 25296
523 1 9 . 1 1 41 41 ALA N N 41 118.587 118.587 121.644 -3.057 25296
524 1 9 . 1 1 42 42 VAL N N 42 118.763 118.763 114.523 4.240 25296
525 1 9 . 1 1 43 43 PHE N N 43 123.354 123.354 122.654 0.700 25296
526 1 9 . 1 1 44 44 TYR N N 44 118.850 118.850 119.129 -0.279 25296
527 1 9 . 1 1 45 45 SER N N 45 114.529 114.529 114.812 -0.283 25296
528 1 9 . 1 1 46 46 ALA N N 46 125.846 125.846 124.890 0.956 25296
529 1 9 . 1 1 47 47 ALA N N 47 123.097 123.097 120.950 2.147 25296
530 1 9 . 1 1 48 48 ASP N N 48 119.891 119.891 118.906 0.985 25296
531 1 9 . 1 1 49 49 HIS N N 49 119.869 119.869 119.636 0.233 25296
532 1 9 . 1 1 50 50 ARG N N 50 118.614 118.614 119.717 -1.103 25296
533 1 9 . 1 1 51 51 LEU N N 51 121.642 121.642 120.478 1.164 25296
534 1 9 . 1 1 52 52 ALA N N 52 124.864 124.864 121.626 3.238 25296
535 1 9 . 1 1 53 53 GLU N N 53 117.347 117.347 117.931 -0.584 25296
536 1 9 . 1 1 54 54 LEU N N 54 118.288 118.288 121.718 -3.430 25296
537 1 9 . 1 1 55 55 THR N N 55 116.900 116.900 115.211 1.689 25296
538 1 9 . 1 1 56 56 MET N N 56 116.084 116.084 117.939 -1.855 25296
539 1 9 . 1 1 57 57 ASN N N 57 118.384 118.384 117.062 1.322 25296
540 1 9 . 1 1 58 58 LYS N N 58 117.541 117.541 118.246 -0.705 25296
541 1 9 . 1 1 59 59 LEU N N 59 117.548 117.548 125.867 -8.319 25296
542 1 9 . 1 1 60 60 TYR N N 60 120.559 120.559 124.876 -4.317 25296
543 1 9 . 1 1 62 62 LYS N N 62 118.741 118.741 119.012 -0.271 25296
544 1 9 . 1 1 63 63 ILE N N 63 127.142 127.142 122.413 4.729 25296
545 1 9 . 1 1 67 67 VAL N N 67 123.569 123.569 120.454 3.115 25296
546 1 9 . 1 1 68 68 TRP N N 68 118.947 118.947 121.433 -2.486 25296
547 1 9 . 1 1 69 69 LYS N N 69 117.130 117.130 119.531 -2.401 25296
548 1 9 . 1 1 70 70 PHE N N 70 118.929 118.929 115.491 3.438 25296
549 1 9 . 1 1 71 71 ILE N N 71 117.502 117.502 120.102 -2.600 25296
550 1 10 . 1 1 7 7 THR N N 7 112.417 112.417 114.422 -2.005 25296
551 1 10 . 1 1 8 8 LYS N N 8 121.105 121.105 123.256 -2.151 25296
552 1 10 . 1 1 9 9 THR N N 9 113.324 113.324 111.425 1.899 25296
553 1 10 . 1 1 10 10 ASP N N 10 121.834 121.834 123.154 -1.320 25296
554 1 10 . 1 1 11 11 TYR N N 11 116.789 116.789 118.313 -1.524 25296
555 1 10 . 1 1 12 12 LEU N N 12 121.549 121.549 121.943 -0.394 25296
556 1 10 . 1 1 13 13 MET N N 13 116.111 116.111 115.991 0.120 25296
557 1 10 . 1 1 14 14 ARG N N 14 117.417 117.417 119.213 -1.796 25296
558 1 10 . 1 1 15 15 LEU N N 15 119.519 119.519 119.791 -0.272 25296
559 1 10 . 1 1 16 16 ARG N N 16 121.725 121.725 117.717 4.008 25296
560 1 10 . 1 1 17 17 ARG N N 17 115.267 115.267 117.139 -1.872 25296
561 1 10 . 1 1 18 18 CYS N N 18 120.960 120.960 120.576 0.384 25296
562 1 10 . 1 1 20 20 THR N N 20 106.710 106.710 112.781 -6.071 25296
563 1 10 . 1 1 21 21 ILE N N 21 124.640 124.640 115.934 8.706 25296
564 1 10 . 1 1 22 22 ASP N N 22 118.648 118.648 120.990 -2.342 25296
565 1 10 . 1 1 23 23 THR N N 23 115.236 115.236 115.829 -0.593 25296
566 1 10 . 1 1 24 24 LEU N N 24 124.130 124.130 123.227 0.903 25296
567 1 10 . 1 1 25 25 GLU N N 25 117.370 117.370 116.921 0.449 25296
568 1 10 . 1 1 26 26 ARG N N 26 119.314 119.314 119.746 -0.432 25296
569 1 10 . 1 1 27 27 VAL N N 27 122.593 122.593 120.841 1.752 25296
570 1 10 . 1 1 28 28 ILE N N 28 123.569 123.569 117.076 6.493 25296
571 1 10 . 1 1 29 29 GLU N N 29 118.032 118.032 120.485 -2.453 25296
572 1 10 . 1 1 30 30 LYS N N 30 116.536 116.536 118.127 -1.591 25296
573 1 10 . 1 1 31 31 ASN N N 31 117.098 117.098 118.039 -0.941 25296
574 1 10 . 1 1 32 32 LYS N N 32 119.676 119.676 120.600 -0.924 25296
575 1 10 . 1 1 33 33 TYR N N 33 114.106 114.106 116.340 -2.234 25296
576 1 10 . 1 1 34 34 GLU N N 34 117.370 117.370 118.057 -0.687 25296
577 1 10 . 1 1 35 35 LEU N N 35 118.834 118.834 120.181 -1.347 25296
578 1 10 . 1 1 36 36 SER N N 36 116.159 116.159 115.144 1.015 25296
579 1 10 . 1 1 37 37 ASP N N 37 120.825 120.825 117.805 3.020 25296
580 1 10 . 1 1 37 37 ASP H H 37 8.838 8.838 8.370 0.468 25296
581 1 10 . 1 1 38 38 ASN N N 38 117.661 117.661 118.577 -0.916 25296
582 1 10 . 1 1 39 39 GLU N N 39 120.404 120.404 119.048 1.356 25296
583 1 10 . 1 1 40 40 LEU N N 40 120.350 120.350 120.070 0.280 25296
584 1 10 . 1 1 41 41 ALA N N 41 118.587 118.587 121.481 -2.894 25296
585 1 10 . 1 1 42 42 VAL N N 42 118.763 118.763 114.188 4.575 25296
586 1 10 . 1 1 43 43 PHE N N 43 123.354 123.354 122.781 0.573 25296
587 1 10 . 1 1 44 44 TYR N N 44 118.850 118.850 118.435 0.415 25296
588 1 10 . 1 1 45 45 SER N N 45 114.529 114.529 114.558 -0.029 25296
589 1 10 . 1 1 46 46 ALA N N 46 125.846 125.846 125.057 0.789 25296
590 1 10 . 1 1 47 47 ALA N N 47 123.097 123.097 120.783 2.314 25296
591 1 10 . 1 1 48 48 ASP N N 48 119.891 119.891 118.978 0.913 25296
592 1 10 . 1 1 49 49 HIS N N 49 119.869 119.869 119.303 0.566 25296
593 1 10 . 1 1 50 50 ARG N N 50 118.614 118.614 119.779 -1.165 25296
594 1 10 . 1 1 51 51 LEU N N 51 121.642 121.642 120.586 1.056 25296
595 1 10 . 1 1 52 52 ALA N N 52 124.864 124.864 121.701 3.163 25296
596 1 10 . 1 1 53 53 GLU N N 53 117.347 117.347 117.992 -0.645 25296
597 1 10 . 1 1 54 54 LEU N N 54 118.288 118.288 121.861 -3.573 25296
598 1 10 . 1 1 55 55 THR N N 55 116.900 116.900 116.314 0.586 25296
599 1 10 . 1 1 56 56 MET N N 56 116.084 116.084 117.067 -0.983 25296
600 1 10 . 1 1 57 57 ASN N N 57 118.384 118.384 117.066 1.318 25296
601 1 10 . 1 1 58 58 LYS N N 58 117.541 117.541 119.330 -1.789 25296
602 1 10 . 1 1 59 59 LEU N N 59 117.548 117.548 125.645 -8.097 25296
603 1 10 . 1 1 60 60 TYR N N 60 120.559 120.559 123.381 -2.822 25296
604 1 10 . 1 1 62 62 LYS N N 62 118.741 118.741 119.652 -0.911 25296
605 1 10 . 1 1 63 63 ILE N N 63 127.142 127.142 122.962 4.180 25296
606 1 10 . 1 1 67 67 VAL N N 67 123.569 123.569 119.813 3.756 25296
607 1 10 . 1 1 68 68 TRP N N 68 118.947 118.947 120.644 -1.697 25296
608 1 10 . 1 1 69 69 LYS N N 69 117.130 117.130 121.102 -3.972 25296
609 1 10 . 1 1 70 70 PHE N N 70 118.929 118.929 114.463 4.466 25296
610 1 10 . 1 1 71 71 ILE N N 71 117.502 117.502 119.950 -2.448 25296
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 60 2.656 -0.018 2.678 25296
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25296
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25296
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25296
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25296
6 1 1 "Average Difference" HN 1 0.547 -0.547 0.000 25296
7 1 2 "Average Difference" N 60 2.828 0.148 2.848 25296
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25296
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25296
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25296
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25296
12 1 2 "Average Difference" HN 1 0.373 -0.373 0.000 25296
13 1 3 "Average Difference" N 60 2.692 0.078 2.714 25296
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25296
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25296
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25296
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25296
18 1 3 "Average Difference" HN 1 0.243 -0.243 0.000 25296
19 1 4 "Average Difference" N 60 2.721 0.033 2.744 25296
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25296
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25296
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25296
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25296
24 1 4 "Average Difference" HN 1 0.482 -0.482 0.000 25296
25 1 5 "Average Difference" N 60 2.722 -0.213 2.736 25296
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25296
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25296
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25296
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25296
30 1 5 "Average Difference" HN 1 0.510 -0.510 0.000 25296
31 1 6 "Average Difference" N 60 2.776 0.084 2.798 25296
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25296
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25296
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25296
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25296
36 1 6 "Average Difference" HN 1 0.147 -0.147 0.000 25296
37 1 7 "Average Difference" N 60 2.842 -0.028 2.866 25296
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25296
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25296
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25296
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25296
42 1 7 "Average Difference" HN 1 0.255 -0.255 0.000 25296
43 1 8 "Average Difference" N 60 2.794 -0.064 2.817 25296
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25296
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25296
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25296
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25296
48 1 8 "Average Difference" HN 1 0.679 -0.679 0.000 25296
49 1 9 "Average Difference" N 60 2.750 -0.001 2.773 25296
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25296
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25296
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25296
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25296
54 1 9 "Average Difference" HN 1 0.534 -0.534 0.000 25296
55 1 10 "Average Difference" N 60 2.752 0.064 2.774 25296
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25296
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25296
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25296
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25296
60 1 10 "Average Difference" HN 1 0.468 -0.468 0.000 25296
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 25296
_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 THR N N 7 112.417 112.417 115.342 -2.925 25296
2 1 . 1 1 8 8 LYS N N 8 121.105 121.105 122.888 -1.783 25296
3 1 . 1 1 9 9 THR N N 9 113.324 113.324 112.392 0.932 25296
4 1 . 1 1 10 10 ASP N N 10 121.834 121.834 122.638 -0.804 25296
5 1 . 1 1 11 11 TYR N N 11 116.789 116.789 118.776 -1.987 25296
6 1 . 1 1 12 12 LEU N N 12 121.549 121.549 121.960 -0.411 25296
7 1 . 1 1 13 13 MET N N 13 116.111 116.111 115.902 0.209 25296
8 1 . 1 1 14 14 ARG N N 14 117.417 117.417 119.536 -2.119 25296
9 1 . 1 1 15 15 LEU N N 15 119.519 119.519 118.258 1.261 25296
10 1 . 1 1 16 16 ARG N N 16 121.725 121.725 118.322 3.403 25296
11 1 . 1 1 17 17 ARG N N 17 115.267 115.267 116.963 -1.696 25296
12 1 . 1 1 18 18 CYS N N 18 120.960 120.960 120.404 0.556 25296
13 1 . 1 1 20 20 THR N N 20 106.710 106.710 112.127 -5.417 25296
14 1 . 1 1 21 21 ILE N N 21 124.640 124.640 115.690 8.950 25296
15 1 . 1 1 22 22 ASP N N 22 118.648 118.648 120.808 -2.160 25296
16 1 . 1 1 23 23 THR N N 23 115.236 115.236 115.439 -0.203 25296
17 1 . 1 1 24 24 LEU N N 24 124.130 124.130 123.001 1.129 25296
18 1 . 1 1 25 25 GLU N N 25 117.370 117.370 118.526 -1.155 25296
19 1 . 1 1 26 26 ARG N N 26 119.314 119.314 118.784 0.530 25296
20 1 . 1 1 27 27 VAL N N 27 122.593 122.593 121.292 1.301 25296
21 1 . 1 1 28 28 ILE N N 28 123.569 123.569 116.223 7.346 25296
22 1 . 1 1 29 29 GLU N N 29 118.032 118.032 120.788 -2.756 25296
23 1 . 1 1 30 30 LYS N N 30 116.536 116.536 118.235 -1.699 25296
24 1 . 1 1 31 31 ASN N N 31 117.098 117.098 117.912 -0.814 25296
25 1 . 1 1 32 32 LYS N N 32 119.676 119.676 119.381 0.295 25296
26 1 . 1 1 33 33 TYR N N 33 114.106 114.106 114.802 -0.696 25296
27 1 . 1 1 34 34 GLU N N 34 117.370 117.370 118.372 -1.002 25296
28 1 . 1 1 35 35 LEU N N 35 118.834 118.834 120.129 -1.294 25296
29 1 . 1 1 36 36 SER N N 36 116.159 116.159 115.302 0.857 25296
30 1 . 1 1 37 37 ASP N N 37 120.825 120.825 118.409 2.416 25296
31 1 . 1 1 37 37 ASP H H 37 8.838 8.838 8.414 0.424 25296
32 1 . 1 1 38 38 ASN N N 38 117.661 117.661 117.103 0.558 25296
33 1 . 1 1 39 39 GLU N N 39 120.404 120.404 118.662 1.742 25296
34 1 . 1 1 40 40 LEU N N 40 120.350 120.350 120.993 -0.643 25296
35 1 . 1 1 41 41 ALA N N 41 118.587 118.587 121.194 -2.607 25296
36 1 . 1 1 42 42 VAL N N 42 118.763 118.763 114.786 3.977 25296
37 1 . 1 1 43 43 PHE N N 43 123.354 123.354 122.831 0.523 25296
38 1 . 1 1 44 44 TYR N N 44 118.850 118.850 118.648 0.202 25296
39 1 . 1 1 45 45 SER N N 45 114.529 114.529 114.609 -0.080 25296
40 1 . 1 1 46 46 ALA N N 46 125.846 125.846 124.107 1.740 25296
41 1 . 1 1 47 47 ALA N N 47 123.097 123.097 121.403 1.694 25296
42 1 . 1 1 48 48 ASP N N 48 119.891 119.891 118.948 0.943 25296
43 1 . 1 1 49 49 HIS N N 49 119.869 119.869 119.851 0.018 25296
44 1 . 1 1 50 50 ARG N N 50 118.614 118.614 119.831 -1.217 25296
45 1 . 1 1 51 51 LEU N N 51 121.642 121.642 120.169 1.473 25296
46 1 . 1 1 52 52 ALA N N 52 124.864 124.864 122.042 2.822 25296
47 1 . 1 1 53 53 GLU N N 53 117.347 117.347 118.079 -0.732 25296
48 1 . 1 1 54 54 LEU N N 54 118.288 118.288 121.136 -2.848 25296
49 1 . 1 1 55 55 THR N N 55 116.900 116.900 114.968 1.932 25296
50 1 . 1 1 56 56 MET N N 56 116.084 116.084 117.742 -1.658 25296
51 1 . 1 1 57 57 ASN N N 57 118.384 118.384 116.782 1.602 25296
52 1 . 1 1 58 58 LYS N N 58 117.541 117.541 118.604 -1.063 25296
53 1 . 1 1 59 59 LEU N N 59 117.548 117.548 125.663 -8.115 25296
54 1 . 1 1 60 60 TYR N N 60 120.559 120.559 124.268 -3.709 25296
55 1 . 1 1 62 62 LYS N N 62 118.741 118.741 119.301 -0.560 25296
56 1 . 1 1 63 63 ILE N N 63 127.142 127.142 123.032 4.110 25296
57 1 . 1 1 67 67 VAL N N 67 123.569 123.569 121.074 2.495 25296
58 1 . 1 1 68 68 TRP N N 68 118.947 118.947 120.273 -1.327 25296
59 1 . 1 1 69 69 LYS N N 69 117.130 117.130 119.733 -2.603 25296
60 1 . 1 1 70 70 PHE N N 70 118.929 118.929 115.657 3.272 25296
61 1 . 1 1 71 71 ILE N N 71 117.502 117.502 120.208 -2.706 25296
stop_
save_