data_25066
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25066
_Entry.PDB_ID 2MR9
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 25066
_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 4 4 THR N N 4 113.481 113.481 116.834 -3.353 25066
2 1 1 . 1 1 4 4 THR HA H 4 3.996 3.996 3.858 0.138 25066
3 1 1 . 1 1 4 4 THR H H 4 7.699 7.699 8.024 -0.325 25066
4 1 1 . 1 1 5 5 PHE N N 5 121.531 121.531 119.078 2.453 25066
5 1 1 . 1 1 5 5 PHE HA H 5 4.887 4.887 4.971 -0.084 25066
6 1 1 . 1 1 5 5 PHE H H 5 8.034 8.034 7.015 1.019 25066
7 1 1 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.647 -0.272 25066
8 1 1 . 1 1 7 7 GLU N N 7 126.390 126.390 126.800 -0.410 25066
9 1 1 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.778 0.150 25066
10 1 1 . 1 1 7 7 GLU H H 7 8.967 8.967 9.038 -0.071 25066
11 1 1 . 1 1 8 8 GLN N N 8 116.282 116.282 118.288 -2.006 25066
12 1 1 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.044 -0.049 25066
13 1 1 . 1 1 8 8 GLN H H 8 9.046 9.046 8.688 0.358 25066
14 1 1 . 1 1 9 9 THR N N 9 116.775 116.775 113.433 3.342 25066
15 1 1 . 1 1 9 9 THR HA H 9 4.126 4.126 4.140 -0.014 25066
16 1 1 . 1 1 9 9 THR H H 9 7.072 7.072 7.841 -0.769 25066
17 1 1 . 1 1 10 10 ILE N N 10 120.842 120.842 123.501 -2.659 25066
18 1 1 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.619 -0.343 25066
19 1 1 . 1 1 10 10 ILE H H 10 7.342 7.342 8.223 -0.881 25066
20 1 1 . 1 1 11 11 LYS N N 11 119.216 119.216 118.277 0.939 25066
21 1 1 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.994 -0.088 25066
22 1 1 . 1 1 11 11 LYS H H 11 8.586 8.586 8.460 0.126 25066
23 1 1 . 1 1 12 12 GLN N N 12 117.046 117.046 118.887 -1.841 25066
24 1 1 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.168 -0.195 25066
25 1 1 . 1 1 12 12 GLN H H 12 7.589 7.589 7.797 -0.208 25066
26 1 1 . 1 1 13 13 LEU N N 13 117.234 117.234 120.744 -3.510 25066
27 1 1 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.292 -0.095 25066
28 1 1 . 1 1 13 13 LEU H H 13 7.219 7.219 8.388 -1.169 25066
29 1 1 . 1 1 14 14 MET N N 14 120.717 120.717 118.025 2.692 25066
30 1 1 . 1 1 14 14 MET HA H 14 4.468 4.468 4.572 -0.104 25066
31 1 1 . 1 1 14 14 MET H H 14 8.777 8.777 8.969 -0.192 25066
32 1 1 . 1 1 15 15 ASP N N 15 119.445 119.445 120.151 -0.706 25066
33 1 1 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.429 -0.031 25066
34 1 1 . 1 1 15 15 ASP H H 15 8.542 8.542 8.012 0.530 25066
35 1 1 . 1 1 16 16 LEU N N 16 118.590 118.590 117.483 1.107 25066
36 1 1 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.128 0.137 25066
37 1 1 . 1 1 16 16 LEU H H 16 7.398 7.398 7.550 -0.152 25066
38 1 1 . 1 1 17 17 GLY N N 17 105.555 105.555 104.262 1.293 25066
39 1 1 . 1 1 17 17 GLY H H 17 8.261 8.261 7.541 0.720 25066
40 1 1 . 1 1 18 18 PHE N N 18 117.881 117.881 120.828 -2.947 25066
41 1 1 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.952 -0.058 25066
42 1 1 . 1 1 18 18 PHE H H 18 7.298 7.298 7.224 0.074 25066
43 1 1 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.665 -0.108 25066
44 1 1 . 1 1 20 20 ARG N N 20 121.656 121.656 121.530 0.126 25066
45 1 1 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.973 -0.408 25066
46 1 1 . 1 1 20 20 ARG H H 20 8.874 8.874 8.769 0.105 25066
47 1 1 . 1 1 21 21 ASP N N 21 114.415 114.415 117.725 -3.310 25066
48 1 1 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.303 -0.127 25066
49 1 1 . 1 1 21 21 ASP H H 21 8.723 8.723 8.663 0.060 25066
50 1 1 . 1 1 22 22 ALA N N 22 121.426 121.426 120.635 0.791 25066
51 1 1 . 1 1 22 22 ALA HA H 22 3.995 3.995 3.971 0.024 25066
52 1 1 . 1 1 22 22 ALA H H 22 6.960 6.960 7.775 -0.815 25066
53 1 1 . 1 1 23 23 VAL N N 23 119.445 119.445 119.075 0.370 25066
54 1 1 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.640 -0.363 25066
55 1 1 . 1 1 23 23 VAL H H 23 7.756 7.756 7.349 0.407 25066
56 1 1 . 1 1 24 24 VAL N N 24 118.736 118.736 119.487 -0.751 25066
57 1 1 . 1 1 24 24 VAL HA H 24 3.300 3.300 1.398 1.902 25066
58 1 1 . 1 1 24 24 VAL H H 24 8.520 8.520 7.454 1.066 25066
59 1 1 . 1 1 25 25 LYS N N 25 118.632 118.632 119.412 -0.780 25066
60 1 1 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.891 -0.076 25066
61 1 1 . 1 1 25 25 LYS H H 25 7.488 7.488 8.259 -0.771 25066
62 1 1 . 1 1 26 26 ALA N N 26 121.697 121.697 121.534 0.163 25066
63 1 1 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.283 -0.355 25066
64 1 1 . 1 1 26 26 ALA H H 26 7.702 7.702 7.847 -0.145 25066
65 1 1 . 1 1 27 27 LEU N N 27 117.308 117.308 119.449 -2.141 25066
66 1 1 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.667 -1.144 25066
67 1 1 . 1 1 27 27 LEU H H 27 8.094 8.094 8.728 -0.634 25066
68 1 1 . 1 1 28 28 LYS N N 28 119.362 119.362 121.230 -1.868 25066
69 1 1 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.277 -0.148 25066
70 1 1 . 1 1 28 28 LYS H H 28 8.206 8.206 8.412 -0.206 25066
71 1 1 . 1 1 29 29 GLN N N 29 118.652 118.652 116.741 1.911 25066
72 1 1 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.283 -0.265 25066
73 1 1 . 1 1 29 29 GLN H H 29 7.701 7.701 7.862 -0.161 25066
74 1 1 . 1 1 30 30 THR N N 30 106.842 106.842 108.852 -2.010 25066
75 1 1 . 1 1 30 30 THR HA H 30 4.467 4.467 4.378 0.089 25066
76 1 1 . 1 1 30 30 THR H H 30 7.668 7.668 7.727 -0.059 25066
77 1 1 . 1 1 31 31 ASN N N 31 119.987 119.987 119.005 0.982 25066
78 1 1 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.294 0.151 25066
79 1 1 . 1 1 31 31 ASN H H 31 7.824 7.824 8.193 -0.369 25066
80 1 1 . 1 1 32 32 GLY N N 32 103.111 103.111 104.105 -0.994 25066
81 1 1 . 1 1 32 32 GLY H H 32 9.195 9.195 8.874 0.321 25066
82 1 1 . 1 1 33 33 ASN N N 33 118.444 118.444 118.166 0.278 25066
83 1 1 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.683 -0.177 25066
84 1 1 . 1 1 33 33 ASN H H 33 7.217 7.217 7.453 -0.236 25066
85 1 1 . 1 1 34 34 ALA N N 34 131.993 131.993 129.913 2.080 25066
86 1 1 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.019 -0.339 25066
87 1 1 . 1 1 34 34 ALA H H 34 8.945 8.945 9.020 -0.075 25066
88 1 1 . 1 1 35 35 GLU N N 35 120.237 120.237 118.111 2.126 25066
89 1 1 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.159 -0.231 25066
90 1 1 . 1 1 35 35 GLU H H 35 8.083 8.083 8.957 -0.874 25066
91 1 1 . 1 1 36 36 PHE N N 36 118.840 118.840 118.900 -0.060 25066
92 1 1 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.257 0.281 25066
93 1 1 . 1 1 36 36 PHE H H 36 8.091 8.091 7.843 0.248 25066
94 1 1 . 1 1 37 37 ALA N N 37 123.283 123.283 121.485 1.798 25066
95 1 1 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.125 -0.466 25066
96 1 1 . 1 1 37 37 ALA H H 37 8.317 8.317 8.518 -0.201 25066
97 1 1 . 1 1 38 38 ALA N N 38 118.986 118.986 121.753 -2.767 25066
98 1 1 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.082 -0.514 25066
99 1 1 . 1 1 38 38 ALA H H 38 7.925 7.925 8.843 -0.918 25066
100 1 1 . 1 1 39 39 SER N N 39 110.058 110.058 113.281 -3.223 25066
101 1 1 . 1 1 39 39 SER HA H 39 4.188 4.188 4.119 0.069 25066
102 1 1 . 1 1 39 39 SER H H 39 7.174 7.174 7.613 -0.439 25066
103 1 1 . 1 1 40 40 LEU N N 40 120.821 120.821 122.168 -1.347 25066
104 1 1 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.337 -0.409 25066
105 1 1 . 1 1 40 40 LEU H H 40 7.489 7.489 7.523 -0.034 25066
106 1 1 . 1 1 41 41 LEU N N 41 121.218 121.218 119.811 1.407 25066
107 1 1 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.064 -0.675 25066
108 1 1 . 1 1 41 41 LEU H H 41 7.836 7.836 8.567 -0.731 25066
109 1 1 . 1 1 42 42 PHE N N 42 115.079 115.079 120.000 -4.921 25066
110 1 1 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.018 0.488 25066
111 1 1 . 1 1 42 42 PHE H H 42 7.690 7.690 8.322 -0.632 25066
112 1 1 . 1 1 43 43 GLN N N 43 118.402 118.402 118.680 -0.278 25066
113 1 1 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.156 0.152 25066
114 1 1 . 1 1 43 43 GLN H H 43 7.544 7.544 8.015 -0.471 25066
115 1 2 . 1 1 4 4 THR N N 4 113.481 113.481 113.689 -0.208 25066
116 1 2 . 1 1 4 4 THR HA H 4 3.996 3.996 3.996 -0.000 25066
117 1 2 . 1 1 4 4 THR H H 4 7.699 7.699 7.389 0.310 25066
118 1 2 . 1 1 5 5 PHE N N 5 121.531 121.531 119.661 1.870 25066
119 1 2 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.116 -0.229 25066
120 1 2 . 1 1 5 5 PHE H H 5 8.034 8.034 7.330 0.704 25066
121 1 2 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.612 -0.237 25066
122 1 2 . 1 1 7 7 GLU N N 7 126.390 126.390 122.684 3.706 25066
123 1 2 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.934 -0.006 25066
124 1 2 . 1 1 7 7 GLU H H 7 8.967 8.967 8.989 -0.022 25066
125 1 2 . 1 1 8 8 GLN N N 8 116.282 116.282 117.711 -1.429 25066
126 1 2 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.010 -0.015 25066
127 1 2 . 1 1 8 8 GLN H H 8 9.046 9.046 8.575 0.471 25066
128 1 2 . 1 1 9 9 THR N N 9 116.775 116.775 113.644 3.131 25066
129 1 2 . 1 1 9 9 THR HA H 9 4.126 4.126 4.151 -0.025 25066
130 1 2 . 1 1 9 9 THR H H 9 7.072 7.072 7.676 -0.604 25066
131 1 2 . 1 1 10 10 ILE N N 10 120.842 120.842 123.482 -2.640 25066
132 1 2 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.766 -0.490 25066
133 1 2 . 1 1 10 10 ILE H H 10 7.342 7.342 8.653 -1.311 25066
134 1 2 . 1 1 11 11 LYS N N 11 119.216 119.216 118.808 0.408 25066
135 1 2 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.992 -0.086 25066
136 1 2 . 1 1 11 11 LYS H H 11 8.586 8.586 8.448 0.138 25066
137 1 2 . 1 1 12 12 GLN N N 12 117.046 117.046 119.222 -2.176 25066
138 1 2 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.144 -0.171 25066
139 1 2 . 1 1 12 12 GLN H H 12 7.589 7.589 8.224 -0.635 25066
140 1 2 . 1 1 13 13 LEU N N 13 117.234 117.234 119.095 -1.861 25066
141 1 2 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.345 -0.148 25066
142 1 2 . 1 1 13 13 LEU H H 13 7.219 7.219 8.215 -0.996 25066
143 1 2 . 1 1 14 14 MET N N 14 120.717 120.717 118.059 2.658 25066
144 1 2 . 1 1 14 14 MET HA H 14 4.468 4.468 4.518 -0.050 25066
145 1 2 . 1 1 14 14 MET H H 14 8.777 8.777 8.963 -0.186 25066
146 1 2 . 1 1 15 15 ASP N N 15 119.445 119.445 121.718 -2.273 25066
147 1 2 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.397 0.001 25066
148 1 2 . 1 1 15 15 ASP H H 15 8.542 8.542 7.909 0.633 25066
149 1 2 . 1 1 16 16 LEU N N 16 118.590 118.590 118.149 0.441 25066
150 1 2 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.072 0.193 25066
151 1 2 . 1 1 16 16 LEU H H 16 7.398 7.398 7.338 0.060 25066
152 1 2 . 1 1 17 17 GLY N N 17 105.555 105.555 103.206 2.349 25066
153 1 2 . 1 1 17 17 GLY H H 17 8.261 8.261 7.555 0.706 25066
154 1 2 . 1 1 18 18 PHE N N 18 117.881 117.881 121.750 -3.869 25066
155 1 2 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.856 0.038 25066
156 1 2 . 1 1 18 18 PHE H H 18 7.298 7.298 7.342 -0.044 25066
157 1 2 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.658 -0.101 25066
158 1 2 . 1 1 20 20 ARG N N 20 121.656 121.656 121.712 -0.056 25066
159 1 2 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.928 -0.363 25066
160 1 2 . 1 1 20 20 ARG H H 20 8.874 8.874 8.752 0.122 25066
161 1 2 . 1 1 21 21 ASP N N 21 114.415 114.415 117.337 -2.922 25066
162 1 2 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.341 -0.165 25066
163 1 2 . 1 1 21 21 ASP H H 21 8.723 8.723 8.651 0.072 25066
164 1 2 . 1 1 22 22 ALA N N 22 121.426 121.426 121.015 0.411 25066
165 1 2 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.140 -0.145 25066
166 1 2 . 1 1 22 22 ALA H H 22 6.960 6.960 7.895 -0.935 25066
167 1 2 . 1 1 23 23 VAL N N 23 119.445 119.445 120.165 -0.720 25066
168 1 2 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.665 -0.388 25066
169 1 2 . 1 1 23 23 VAL H H 23 7.756 7.756 7.560 0.196 25066
170 1 2 . 1 1 24 24 VAL N N 24 118.736 118.736 120.017 -1.281 25066
171 1 2 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.256 1.044 25066
172 1 2 . 1 1 24 24 VAL H H 24 8.520 8.520 7.624 0.896 25066
173 1 2 . 1 1 25 25 LYS N N 25 118.632 118.632 118.940 -0.308 25066
174 1 2 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.846 -0.031 25066
175 1 2 . 1 1 25 25 LYS H H 25 7.488 7.488 8.124 -0.636 25066
176 1 2 . 1 1 26 26 ALA N N 26 121.697 121.697 121.762 -0.065 25066
177 1 2 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.166 -0.238 25066
178 1 2 . 1 1 26 26 ALA H H 26 7.702 7.702 7.565 0.137 25066
179 1 2 . 1 1 27 27 LEU N N 27 117.308 117.308 119.638 -2.330 25066
180 1 2 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.464 -0.941 25066
181 1 2 . 1 1 27 27 LEU H H 27 8.094 8.094 8.942 -0.848 25066
182 1 2 . 1 1 28 28 LYS N N 28 119.362 119.362 120.979 -1.617 25066
183 1 2 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.235 -0.106 25066
184 1 2 . 1 1 28 28 LYS H H 28 8.206 8.206 8.443 -0.237 25066
185 1 2 . 1 1 29 29 GLN N N 29 118.652 118.652 116.566 2.086 25066
186 1 2 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.238 -0.220 25066
187 1 2 . 1 1 29 29 GLN H H 29 7.701 7.701 7.749 -0.048 25066
188 1 2 . 1 1 30 30 THR N N 30 106.842 106.842 109.826 -2.984 25066
189 1 2 . 1 1 30 30 THR HA H 30 4.467 4.467 4.348 0.119 25066
190 1 2 . 1 1 30 30 THR H H 30 7.668 7.668 7.913 -0.245 25066
191 1 2 . 1 1 31 31 ASN N N 31 119.987 119.987 119.254 0.733 25066
192 1 2 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.350 0.095 25066
193 1 2 . 1 1 31 31 ASN H H 31 7.824 7.824 8.173 -0.349 25066
194 1 2 . 1 1 32 32 GLY N N 32 103.111 103.111 103.452 -0.341 25066
195 1 2 . 1 1 32 32 GLY H H 32 9.195 9.195 8.951 0.244 25066
196 1 2 . 1 1 33 33 ASN N N 33 118.444 118.444 118.241 0.203 25066
197 1 2 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.725 -0.219 25066
198 1 2 . 1 1 33 33 ASN H H 33 7.217 7.217 7.444 -0.227 25066
199 1 2 . 1 1 34 34 ALA N N 34 131.993 131.993 128.721 3.272 25066
200 1 2 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.034 -0.354 25066
201 1 2 . 1 1 34 34 ALA H H 34 8.945 8.945 9.048 -0.103 25066
202 1 2 . 1 1 35 35 GLU N N 35 120.237 120.237 119.088 1.149 25066
203 1 2 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.124 -0.196 25066
204 1 2 . 1 1 35 35 GLU H H 35 8.083 8.083 9.007 -0.924 25066
205 1 2 . 1 1 36 36 PHE N N 36 118.840 118.840 118.145 0.695 25066
206 1 2 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.246 0.292 25066
207 1 2 . 1 1 36 36 PHE H H 36 8.091 8.091 8.434 -0.343 25066
208 1 2 . 1 1 37 37 ALA N N 37 123.283 123.283 122.304 0.979 25066
209 1 2 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.107 -0.448 25066
210 1 2 . 1 1 37 37 ALA H H 37 8.317 8.317 8.225 0.092 25066
211 1 2 . 1 1 38 38 ALA N N 38 118.986 118.986 121.029 -2.043 25066
212 1 2 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.107 -0.539 25066
213 1 2 . 1 1 38 38 ALA H H 38 7.925 7.925 8.852 -0.927 25066
214 1 2 . 1 1 39 39 SER N N 39 110.058 110.058 113.918 -3.860 25066
215 1 2 . 1 1 39 39 SER HA H 39 4.188 4.188 4.135 0.053 25066
216 1 2 . 1 1 39 39 SER H H 39 7.174 7.174 7.586 -0.412 25066
217 1 2 . 1 1 40 40 LEU N N 40 120.821 120.821 122.111 -1.290 25066
218 1 2 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.355 -0.427 25066
219 1 2 . 1 1 40 40 LEU H H 40 7.489 7.489 7.651 -0.162 25066
220 1 2 . 1 1 41 41 LEU N N 41 121.218 121.218 119.328 1.890 25066
221 1 2 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.074 -0.685 25066
222 1 2 . 1 1 41 41 LEU H H 41 7.836 7.836 8.269 -0.433 25066
223 1 2 . 1 1 42 42 PHE N N 42 115.079 115.079 120.084 -5.005 25066
224 1 2 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.109 0.397 25066
225 1 2 . 1 1 42 42 PHE H H 42 7.690 7.690 8.503 -0.813 25066
226 1 2 . 1 1 43 43 GLN N N 43 118.402 118.402 117.482 0.920 25066
227 1 2 . 1 1 43 43 GLN HA H 43 4.308 4.308 3.893 0.415 25066
228 1 2 . 1 1 43 43 GLN H H 43 7.544 7.544 7.635 -0.091 25066
229 1 3 . 1 1 4 4 THR N N 4 113.481 113.481 116.269 -2.788 25066
230 1 3 . 1 1 4 4 THR HA H 4 3.996 3.996 4.038 -0.042 25066
231 1 3 . 1 1 4 4 THR H H 4 7.699 7.699 7.635 0.064 25066
232 1 3 . 1 1 5 5 PHE N N 5 121.531 121.531 118.040 3.491 25066
233 1 3 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.059 -0.172 25066
234 1 3 . 1 1 5 5 PHE H H 5 8.034 8.034 7.745 0.289 25066
235 1 3 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.629 -0.254 25066
236 1 3 . 1 1 7 7 GLU N N 7 126.390 126.390 123.294 3.096 25066
237 1 3 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.920 0.008 25066
238 1 3 . 1 1 7 7 GLU H H 7 8.967 8.967 8.967 0.000 25066
239 1 3 . 1 1 8 8 GLN N N 8 116.282 116.282 118.724 -2.442 25066
240 1 3 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.057 -0.062 25066
241 1 3 . 1 1 8 8 GLN H H 8 9.046 9.046 8.797 0.249 25066
242 1 3 . 1 1 9 9 THR N N 9 116.775 116.775 113.736 3.039 25066
243 1 3 . 1 1 9 9 THR HA H 9 4.126 4.126 4.255 -0.129 25066
244 1 3 . 1 1 9 9 THR H H 9 7.072 7.072 7.618 -0.546 25066
245 1 3 . 1 1 10 10 ILE N N 10 120.842 120.842 123.392 -2.550 25066
246 1 3 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.630 -0.354 25066
247 1 3 . 1 1 10 10 ILE H H 10 7.342 7.342 8.552 -1.210 25066
248 1 3 . 1 1 11 11 LYS N N 11 119.216 119.216 118.693 0.523 25066
249 1 3 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.973 -0.067 25066
250 1 3 . 1 1 11 11 LYS H H 11 8.586 8.586 8.079 0.507 25066
251 1 3 . 1 1 12 12 GLN N N 12 117.046 117.046 119.538 -2.492 25066
252 1 3 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.116 -0.143 25066
253 1 3 . 1 1 12 12 GLN H H 12 7.589 7.589 7.960 -0.371 25066
254 1 3 . 1 1 13 13 LEU N N 13 117.234 117.234 119.468 -2.234 25066
255 1 3 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.320 -0.123 25066
256 1 3 . 1 1 13 13 LEU H H 13 7.219 7.219 7.888 -0.669 25066
257 1 3 . 1 1 14 14 MET N N 14 120.717 120.717 118.655 2.062 25066
258 1 3 . 1 1 14 14 MET HA H 14 4.468 4.468 4.415 0.053 25066
259 1 3 . 1 1 14 14 MET H H 14 8.777 8.777 8.914 -0.137 25066
260 1 3 . 1 1 15 15 ASP N N 15 119.445 119.445 118.982 0.463 25066
261 1 3 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.397 0.001 25066
262 1 3 . 1 1 15 15 ASP H H 15 8.542 8.542 7.873 0.669 25066
263 1 3 . 1 1 16 16 LEU N N 16 118.590 118.590 118.173 0.417 25066
264 1 3 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.117 0.148 25066
265 1 3 . 1 1 16 16 LEU H H 16 7.398 7.398 7.462 -0.064 25066
266 1 3 . 1 1 17 17 GLY N N 17 105.555 105.555 103.176 2.379 25066
267 1 3 . 1 1 17 17 GLY H H 17 8.261 8.261 7.229 1.032 25066
268 1 3 . 1 1 18 18 PHE N N 18 117.881 117.881 121.201 -3.320 25066
269 1 3 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.960 -0.066 25066
270 1 3 . 1 1 18 18 PHE H H 18 7.298 7.298 7.652 -0.354 25066
271 1 3 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.681 -0.124 25066
272 1 3 . 1 1 20 20 ARG N N 20 121.656 121.656 121.245 0.411 25066
273 1 3 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.920 -0.355 25066
274 1 3 . 1 1 20 20 ARG H H 20 8.874 8.874 8.819 0.055 25066
275 1 3 . 1 1 21 21 ASP N N 21 114.415 114.415 118.992 -4.577 25066
276 1 3 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.353 -0.177 25066
277 1 3 . 1 1 21 21 ASP H H 21 8.723 8.723 8.544 0.179 25066
278 1 3 . 1 1 22 22 ALA N N 22 121.426 121.426 121.331 0.095 25066
279 1 3 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.141 -0.146 25066
280 1 3 . 1 1 22 22 ALA H H 22 6.960 6.960 7.585 -0.625 25066
281 1 3 . 1 1 23 23 VAL N N 23 119.445 119.445 120.107 -0.662 25066
282 1 3 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.693 -0.416 25066
283 1 3 . 1 1 23 23 VAL H H 23 7.756 7.756 7.493 0.263 25066
284 1 3 . 1 1 24 24 VAL N N 24 118.736 118.736 119.754 -1.018 25066
285 1 3 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.734 0.566 25066
286 1 3 . 1 1 24 24 VAL H H 24 8.520 8.520 7.581 0.939 25066
287 1 3 . 1 1 25 25 LYS N N 25 118.632 118.632 119.051 -0.419 25066
288 1 3 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.902 -0.087 25066
289 1 3 . 1 1 25 25 LYS H H 25 7.488 7.488 8.388 -0.900 25066
290 1 3 . 1 1 26 26 ALA N N 26 121.697 121.697 122.008 -0.311 25066
291 1 3 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.223 -0.295 25066
292 1 3 . 1 1 26 26 ALA H H 26 7.702 7.702 7.599 0.103 25066
293 1 3 . 1 1 27 27 LEU N N 27 117.308 117.308 119.199 -1.891 25066
294 1 3 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.579 -1.056 25066
295 1 3 . 1 1 27 27 LEU H H 27 8.094 8.094 8.901 -0.807 25066
296 1 3 . 1 1 28 28 LYS N N 28 119.362 119.362 120.527 -1.165 25066
297 1 3 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.287 -0.158 25066
298 1 3 . 1 1 28 28 LYS H H 28 8.206 8.206 8.720 -0.514 25066
299 1 3 . 1 1 29 29 GLN N N 29 118.652 118.652 116.594 2.058 25066
300 1 3 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.240 -0.222 25066
301 1 3 . 1 1 29 29 GLN H H 29 7.701 7.701 7.675 0.026 25066
302 1 3 . 1 1 30 30 THR N N 30 106.842 106.842 108.452 -1.610 25066
303 1 3 . 1 1 30 30 THR HA H 30 4.467 4.467 4.423 0.044 25066
304 1 3 . 1 1 30 30 THR H H 30 7.668 7.668 7.847 -0.179 25066
305 1 3 . 1 1 31 31 ASN N N 31 119.987 119.987 118.815 1.172 25066
306 1 3 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.414 0.031 25066
307 1 3 . 1 1 31 31 ASN H H 31 7.824 7.824 8.247 -0.423 25066
308 1 3 . 1 1 32 32 GLY N N 32 103.111 103.111 104.691 -1.580 25066
309 1 3 . 1 1 32 32 GLY H H 32 9.195 9.195 8.846 0.349 25066
310 1 3 . 1 1 33 33 ASN N N 33 118.444 118.444 116.311 2.133 25066
311 1 3 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.687 -0.181 25066
312 1 3 . 1 1 33 33 ASN H H 33 7.217 7.217 7.339 -0.122 25066
313 1 3 . 1 1 34 34 ALA N N 34 131.993 131.993 125.991 6.002 25066
314 1 3 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.160 -0.480 25066
315 1 3 . 1 1 34 34 ALA H H 34 8.945 8.945 8.967 -0.022 25066
316 1 3 . 1 1 35 35 GLU N N 35 120.237 120.237 119.589 0.648 25066
317 1 3 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.264 -0.336 25066
318 1 3 . 1 1 35 35 GLU H H 35 8.083 8.083 8.922 -0.839 25066
319 1 3 . 1 1 36 36 PHE N N 36 118.840 118.840 118.115 0.725 25066
320 1 3 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.266 0.272 25066
321 1 3 . 1 1 36 36 PHE H H 36 8.091 8.091 8.622 -0.531 25066
322 1 3 . 1 1 37 37 ALA N N 37 123.283 123.283 122.989 0.294 25066
323 1 3 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.059 -0.400 25066
324 1 3 . 1 1 37 37 ALA H H 37 8.317 8.317 7.813 0.504 25066
325 1 3 . 1 1 38 38 ALA N N 38 118.986 118.986 120.613 -1.627 25066
326 1 3 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.114 -0.546 25066
327 1 3 . 1 1 38 38 ALA H H 38 7.925 7.925 8.192 -0.267 25066
328 1 3 . 1 1 39 39 SER N N 39 110.058 110.058 113.537 -3.479 25066
329 1 3 . 1 1 39 39 SER HA H 39 4.188 4.188 4.172 0.016 25066
330 1 3 . 1 1 39 39 SER H H 39 7.174 7.174 7.621 -0.447 25066
331 1 3 . 1 1 40 40 LEU N N 40 120.821 120.821 120.748 0.073 25066
332 1 3 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.648 -0.720 25066
333 1 3 . 1 1 40 40 LEU H H 40 7.489 7.489 7.664 -0.175 25066
334 1 3 . 1 1 41 41 LEU N N 41 121.218 121.218 119.807 1.411 25066
335 1 3 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.145 -0.756 25066
336 1 3 . 1 1 41 41 LEU H H 41 7.836 7.836 8.471 -0.635 25066
337 1 3 . 1 1 42 42 PHE N N 42 115.079 115.079 120.093 -5.014 25066
338 1 3 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.083 0.423 25066
339 1 3 . 1 1 42 42 PHE H H 42 7.690 7.690 8.328 -0.638 25066
340 1 3 . 1 1 43 43 GLN N N 43 118.402 118.402 118.213 0.189 25066
341 1 3 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.168 0.140 25066
342 1 3 . 1 1 43 43 GLN H H 43 7.544 7.544 7.976 -0.432 25066
343 1 4 . 1 1 4 4 THR N N 4 113.481 113.481 113.389 0.092 25066
344 1 4 . 1 1 4 4 THR HA H 4 3.996 3.996 3.934 0.062 25066
345 1 4 . 1 1 4 4 THR H H 4 7.699 7.699 7.356 0.343 25066
346 1 4 . 1 1 5 5 PHE N N 5 121.531 121.531 118.210 3.321 25066
347 1 4 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.081 -0.194 25066
348 1 4 . 1 1 5 5 PHE H H 5 8.034 8.034 7.501 0.533 25066
349 1 4 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.674 -0.299 25066
350 1 4 . 1 1 7 7 GLU N N 7 126.390 126.390 120.956 5.434 25066
351 1 4 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.981 -0.053 25066
352 1 4 . 1 1 7 7 GLU H H 7 8.967 8.967 8.925 0.042 25066
353 1 4 . 1 1 8 8 GLN N N 8 116.282 116.282 117.531 -1.249 25066
354 1 4 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.069 -0.074 25066
355 1 4 . 1 1 8 8 GLN H H 8 9.046 9.046 8.830 0.216 25066
356 1 4 . 1 1 9 9 THR N N 9 116.775 116.775 114.018 2.757 25066
357 1 4 . 1 1 9 9 THR HA H 9 4.126 4.126 4.148 -0.022 25066
358 1 4 . 1 1 9 9 THR H H 9 7.072 7.072 7.719 -0.647 25066
359 1 4 . 1 1 10 10 ILE N N 10 120.842 120.842 123.565 -2.723 25066
360 1 4 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.619 -0.343 25066
361 1 4 . 1 1 10 10 ILE H H 10 7.342 7.342 8.697 -1.355 25066
362 1 4 . 1 1 11 11 LYS N N 11 119.216 119.216 118.506 0.710 25066
363 1 4 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.983 -0.077 25066
364 1 4 . 1 1 11 11 LYS H H 11 8.586 8.586 8.371 0.215 25066
365 1 4 . 1 1 12 12 GLN N N 12 117.046 117.046 119.660 -2.614 25066
366 1 4 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.105 -0.132 25066
367 1 4 . 1 1 12 12 GLN H H 12 7.589 7.589 7.833 -0.244 25066
368 1 4 . 1 1 13 13 LEU N N 13 117.234 117.234 119.639 -2.405 25066
369 1 4 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.356 -0.159 25066
370 1 4 . 1 1 13 13 LEU H H 13 7.219 7.219 8.103 -0.884 25066
371 1 4 . 1 1 14 14 MET N N 14 120.717 120.717 118.429 2.288 25066
372 1 4 . 1 1 14 14 MET HA H 14 4.468 4.468 4.578 -0.110 25066
373 1 4 . 1 1 14 14 MET H H 14 8.777 8.777 8.981 -0.204 25066
374 1 4 . 1 1 15 15 ASP N N 15 119.445 119.445 120.374 -0.929 25066
375 1 4 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.424 -0.026 25066
376 1 4 . 1 1 15 15 ASP H H 15 8.542 8.542 8.161 0.381 25066
377 1 4 . 1 1 16 16 LEU N N 16 118.590 118.590 117.762 0.828 25066
378 1 4 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.212 0.053 25066
379 1 4 . 1 1 16 16 LEU H H 16 7.398 7.398 7.563 -0.165 25066
380 1 4 . 1 1 17 17 GLY N N 17 105.555 105.555 104.707 0.848 25066
381 1 4 . 1 1 17 17 GLY H H 17 8.261 8.261 7.487 0.774 25066
382 1 4 . 1 1 18 18 PHE N N 18 117.881 117.881 119.760 -1.879 25066
383 1 4 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.949 -0.055 25066
384 1 4 . 1 1 18 18 PHE H H 18 7.298 7.298 7.475 -0.177 25066
385 1 4 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.690 -0.133 25066
386 1 4 . 1 1 20 20 ARG N N 20 121.656 121.656 121.150 0.506 25066
387 1 4 . 1 1 20 20 ARG HA H 20 3.565 3.565 4.018 -0.453 25066
388 1 4 . 1 1 20 20 ARG H H 20 8.874 8.874 8.876 -0.002 25066
389 1 4 . 1 1 21 21 ASP N N 21 114.415 114.415 118.232 -3.817 25066
390 1 4 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.311 -0.135 25066
391 1 4 . 1 1 21 21 ASP H H 21 8.723 8.723 8.766 -0.043 25066
392 1 4 . 1 1 22 22 ALA N N 22 121.426 121.426 121.189 0.237 25066
393 1 4 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.095 -0.100 25066
394 1 4 . 1 1 22 22 ALA H H 22 6.960 6.960 7.689 -0.729 25066
395 1 4 . 1 1 23 23 VAL N N 23 119.445 119.445 119.870 -0.425 25066
396 1 4 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.699 -0.422 25066
397 1 4 . 1 1 23 23 VAL H H 23 7.756 7.756 7.433 0.323 25066
398 1 4 . 1 1 24 24 VAL N N 24 118.736 118.736 119.599 -0.863 25066
399 1 4 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.625 0.675 25066
400 1 4 . 1 1 24 24 VAL H H 24 8.520 8.520 7.460 1.060 25066
401 1 4 . 1 1 25 25 LYS N N 25 118.632 118.632 119.690 -1.058 25066
402 1 4 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.873 -0.058 25066
403 1 4 . 1 1 25 25 LYS H H 25 7.488 7.488 8.407 -0.919 25066
404 1 4 . 1 1 26 26 ALA N N 26 121.697 121.697 122.035 -0.338 25066
405 1 4 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.137 -0.209 25066
406 1 4 . 1 1 26 26 ALA H H 26 7.702 7.702 7.879 -0.177 25066
407 1 4 . 1 1 27 27 LEU N N 27 117.308 117.308 118.932 -1.624 25066
408 1 4 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.500 -0.977 25066
409 1 4 . 1 1 27 27 LEU H H 27 8.094 8.094 8.910 -0.816 25066
410 1 4 . 1 1 28 28 LYS N N 28 119.362 119.362 120.494 -1.132 25066
411 1 4 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.246 -0.117 25066
412 1 4 . 1 1 28 28 LYS H H 28 8.206 8.206 8.101 0.105 25066
413 1 4 . 1 1 29 29 GLN N N 29 118.652 118.652 116.238 2.414 25066
414 1 4 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.233 -0.215 25066
415 1 4 . 1 1 29 29 GLN H H 29 7.701 7.701 7.766 -0.065 25066
416 1 4 . 1 1 30 30 THR N N 30 106.842 106.842 108.648 -1.806 25066
417 1 4 . 1 1 30 30 THR HA H 30 4.467 4.467 4.333 0.134 25066
418 1 4 . 1 1 30 30 THR H H 30 7.668 7.668 8.275 -0.607 25066
419 1 4 . 1 1 31 31 ASN N N 31 119.987 119.987 118.549 1.438 25066
420 1 4 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.359 0.086 25066
421 1 4 . 1 1 31 31 ASN H H 31 7.824 7.824 8.105 -0.281 25066
422 1 4 . 1 1 32 32 GLY N N 32 103.111 103.111 104.273 -1.162 25066
423 1 4 . 1 1 32 32 GLY H H 32 9.195 9.195 8.921 0.274 25066
424 1 4 . 1 1 33 33 ASN N N 33 118.444 118.444 117.230 1.214 25066
425 1 4 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.806 -0.300 25066
426 1 4 . 1 1 33 33 ASN H H 33 7.217 7.217 7.374 -0.157 25066
427 1 4 . 1 1 34 34 ALA N N 34 131.993 131.993 126.137 5.856 25066
428 1 4 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.185 -0.505 25066
429 1 4 . 1 1 34 34 ALA H H 34 8.945 8.945 8.865 0.080 25066
430 1 4 . 1 1 35 35 GLU N N 35 120.237 120.237 119.273 0.964 25066
431 1 4 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.184 -0.256 25066
432 1 4 . 1 1 35 35 GLU H H 35 8.083 8.083 8.696 -0.613 25066
433 1 4 . 1 1 36 36 PHE N N 36 118.840 118.840 118.449 0.391 25066
434 1 4 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.295 0.243 25066
435 1 4 . 1 1 36 36 PHE H H 36 8.091 8.091 8.079 0.012 25066
436 1 4 . 1 1 37 37 ALA N N 37 123.283 123.283 122.571 0.712 25066
437 1 4 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.075 -0.416 25066
438 1 4 . 1 1 37 37 ALA H H 37 8.317 8.317 7.817 0.500 25066
439 1 4 . 1 1 38 38 ALA N N 38 118.986 118.986 121.392 -2.406 25066
440 1 4 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.128 -0.560 25066
441 1 4 . 1 1 38 38 ALA H H 38 7.925 7.925 8.624 -0.699 25066
442 1 4 . 1 1 39 39 SER N N 39 110.058 110.058 113.409 -3.351 25066
443 1 4 . 1 1 39 39 SER HA H 39 4.188 4.188 4.120 0.068 25066
444 1 4 . 1 1 39 39 SER H H 39 7.174 7.174 7.731 -0.557 25066
445 1 4 . 1 1 40 40 LEU N N 40 120.821 120.821 120.171 0.650 25066
446 1 4 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.346 -0.418 25066
447 1 4 . 1 1 40 40 LEU H H 40 7.489 7.489 7.498 -0.009 25066
448 1 4 . 1 1 41 41 LEU N N 41 121.218 121.218 121.006 0.212 25066
449 1 4 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.045 -0.656 25066
450 1 4 . 1 1 41 41 LEU H H 41 7.836 7.836 8.777 -0.941 25066
451 1 4 . 1 1 42 42 PHE N N 42 115.079 115.079 117.644 -2.565 25066
452 1 4 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.077 0.429 25066
453 1 4 . 1 1 42 42 PHE H H 42 7.690 7.690 8.343 -0.653 25066
454 1 4 . 1 1 43 43 GLN N N 43 118.402 118.402 117.810 0.592 25066
455 1 4 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.115 0.193 25066
456 1 4 . 1 1 43 43 GLN H H 43 7.544 7.544 7.617 -0.073 25066
457 1 5 . 1 1 4 4 THR N N 4 113.481 113.481 113.550 -0.069 25066
458 1 5 . 1 1 4 4 THR HA H 4 3.996 3.996 4.008 -0.012 25066
459 1 5 . 1 1 4 4 THR H H 4 7.699 7.699 7.418 0.281 25066
460 1 5 . 1 1 5 5 PHE N N 5 121.531 121.531 118.132 3.399 25066
461 1 5 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.117 -0.230 25066
462 1 5 . 1 1 5 5 PHE H H 5 8.034 8.034 7.730 0.304 25066
463 1 5 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.697 -0.322 25066
464 1 5 . 1 1 7 7 GLU N N 7 126.390 126.390 120.551 5.839 25066
465 1 5 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.976 -0.048 25066
466 1 5 . 1 1 7 7 GLU H H 7 8.967 8.967 8.917 0.050 25066
467 1 5 . 1 1 8 8 GLN N N 8 116.282 116.282 117.691 -1.409 25066
468 1 5 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.057 -0.062 25066
469 1 5 . 1 1 8 8 GLN H H 8 9.046 9.046 8.837 0.209 25066
470 1 5 . 1 1 9 9 THR N N 9 116.775 116.775 112.844 3.931 25066
471 1 5 . 1 1 9 9 THR HA H 9 4.126 4.126 4.155 -0.029 25066
472 1 5 . 1 1 9 9 THR H H 9 7.072 7.072 7.688 -0.616 25066
473 1 5 . 1 1 10 10 ILE N N 10 120.842 120.842 123.847 -3.005 25066
474 1 5 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.702 -0.426 25066
475 1 5 . 1 1 10 10 ILE H H 10 7.342 7.342 8.537 -1.195 25066
476 1 5 . 1 1 11 11 LYS N N 11 119.216 119.216 118.418 0.798 25066
477 1 5 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.954 -0.048 25066
478 1 5 . 1 1 11 11 LYS H H 11 8.586 8.586 8.380 0.206 25066
479 1 5 . 1 1 12 12 GLN N N 12 117.046 117.046 119.304 -2.258 25066
480 1 5 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.131 -0.158 25066
481 1 5 . 1 1 12 12 GLN H H 12 7.589 7.589 7.639 -0.050 25066
482 1 5 . 1 1 13 13 LEU N N 13 117.234 117.234 119.700 -2.466 25066
483 1 5 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.292 -0.095 25066
484 1 5 . 1 1 13 13 LEU H H 13 7.219 7.219 8.164 -0.945 25066
485 1 5 . 1 1 14 14 MET N N 14 120.717 120.717 117.560 3.157 25066
486 1 5 . 1 1 14 14 MET HA H 14 4.468 4.468 4.453 0.015 25066
487 1 5 . 1 1 14 14 MET H H 14 8.777 8.777 8.915 -0.138 25066
488 1 5 . 1 1 15 15 ASP N N 15 119.445 119.445 119.101 0.344 25066
489 1 5 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.415 -0.017 25066
490 1 5 . 1 1 15 15 ASP H H 15 8.542 8.542 7.824 0.718 25066
491 1 5 . 1 1 16 16 LEU N N 16 118.590 118.590 118.423 0.167 25066
492 1 5 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.126 0.139 25066
493 1 5 . 1 1 16 16 LEU H H 16 7.398 7.398 7.662 -0.264 25066
494 1 5 . 1 1 17 17 GLY N N 17 105.555 105.555 103.539 2.016 25066
495 1 5 . 1 1 17 17 GLY H H 17 8.261 8.261 7.522 0.739 25066
496 1 5 . 1 1 18 18 PHE N N 18 117.881 117.881 121.195 -3.314 25066
497 1 5 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.883 0.011 25066
498 1 5 . 1 1 18 18 PHE H H 18 7.298 7.298 7.471 -0.173 25066
499 1 5 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.675 -0.118 25066
500 1 5 . 1 1 20 20 ARG N N 20 121.656 121.656 121.265 0.391 25066
501 1 5 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.974 -0.409 25066
502 1 5 . 1 1 20 20 ARG H H 20 8.874 8.874 8.796 0.078 25066
503 1 5 . 1 1 21 21 ASP N N 21 114.415 114.415 117.677 -3.262 25066
504 1 5 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.308 -0.132 25066
505 1 5 . 1 1 21 21 ASP H H 21 8.723 8.723 8.767 -0.044 25066
506 1 5 . 1 1 22 22 ALA N N 22 121.426 121.426 122.074 -0.648 25066
507 1 5 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.013 -0.018 25066
508 1 5 . 1 1 22 22 ALA H H 22 6.960 6.960 7.818 -0.858 25066
509 1 5 . 1 1 23 23 VAL N N 23 119.445 119.445 119.795 -0.350 25066
510 1 5 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.636 -0.359 25066
511 1 5 . 1 1 23 23 VAL H H 23 7.756 7.756 7.596 0.160 25066
512 1 5 . 1 1 24 24 VAL N N 24 118.736 118.736 120.441 -1.705 25066
513 1 5 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.919 0.381 25066
514 1 5 . 1 1 24 24 VAL H H 24 8.520 8.520 7.520 1.000 25066
515 1 5 . 1 1 25 25 LYS N N 25 118.632 118.632 119.094 -0.462 25066
516 1 5 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.908 -0.093 25066
517 1 5 . 1 1 25 25 LYS H H 25 7.488 7.488 8.386 -0.898 25066
518 1 5 . 1 1 26 26 ALA N N 26 121.697 121.697 122.101 -0.404 25066
519 1 5 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.168 -0.240 25066
520 1 5 . 1 1 26 26 ALA H H 26 7.702 7.702 7.840 -0.138 25066
521 1 5 . 1 1 27 27 LEU N N 27 117.308 117.308 119.674 -2.366 25066
522 1 5 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.518 -0.995 25066
523 1 5 . 1 1 27 27 LEU H H 27 8.094 8.094 8.820 -0.726 25066
524 1 5 . 1 1 28 28 LYS N N 28 119.362 119.362 119.902 -0.540 25066
525 1 5 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.264 -0.135 25066
526 1 5 . 1 1 28 28 LYS H H 28 8.206 8.206 8.733 -0.527 25066
527 1 5 . 1 1 29 29 GLN N N 29 118.652 118.652 117.967 0.685 25066
528 1 5 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.228 -0.210 25066
529 1 5 . 1 1 29 29 GLN H H 29 7.701 7.701 7.964 -0.263 25066
530 1 5 . 1 1 30 30 THR N N 30 106.842 106.842 106.854 -0.012 25066
531 1 5 . 1 1 30 30 THR HA H 30 4.467 4.467 4.547 -0.080 25066
532 1 5 . 1 1 30 30 THR H H 30 7.668 7.668 7.594 0.074 25066
533 1 5 . 1 1 31 31 ASN N N 31 119.987 119.987 119.799 0.188 25066
534 1 5 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.376 0.069 25066
535 1 5 . 1 1 31 31 ASN H H 31 7.824 7.824 8.439 -0.615 25066
536 1 5 . 1 1 32 32 GLY N N 32 103.111 103.111 104.657 -1.546 25066
537 1 5 . 1 1 32 32 GLY H H 32 9.195 9.195 8.905 0.290 25066
538 1 5 . 1 1 33 33 ASN N N 33 118.444 118.444 118.931 -0.487 25066
539 1 5 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.683 -0.177 25066
540 1 5 . 1 1 33 33 ASN H H 33 7.217 7.217 7.472 -0.255 25066
541 1 5 . 1 1 34 34 ALA N N 34 131.993 131.993 127.144 4.849 25066
542 1 5 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.159 -0.479 25066
543 1 5 . 1 1 34 34 ALA H H 34 8.945 8.945 9.017 -0.072 25066
544 1 5 . 1 1 35 35 GLU N N 35 120.237 120.237 119.389 0.848 25066
545 1 5 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.275 -0.347 25066
546 1 5 . 1 1 35 35 GLU H H 35 8.083 8.083 9.005 -0.922 25066
547 1 5 . 1 1 36 36 PHE N N 36 118.840 118.840 118.663 0.177 25066
548 1 5 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.271 0.267 25066
549 1 5 . 1 1 36 36 PHE H H 36 8.091 8.091 8.570 -0.479 25066
550 1 5 . 1 1 37 37 ALA N N 37 123.283 123.283 122.651 0.632 25066
551 1 5 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.234 -0.575 25066
552 1 5 . 1 1 37 37 ALA H H 37 8.317 8.317 7.832 0.485 25066
553 1 5 . 1 1 38 38 ALA N N 38 118.986 118.986 121.158 -2.172 25066
554 1 5 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.115 -0.547 25066
555 1 5 . 1 1 38 38 ALA H H 38 7.925 7.925 8.726 -0.801 25066
556 1 5 . 1 1 39 39 SER N N 39 110.058 110.058 113.271 -3.213 25066
557 1 5 . 1 1 39 39 SER HA H 39 4.188 4.188 4.048 0.140 25066
558 1 5 . 1 1 39 39 SER H H 39 7.174 7.174 7.776 -0.602 25066
559 1 5 . 1 1 40 40 LEU N N 40 120.821 120.821 120.200 0.621 25066
560 1 5 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.337 -0.409 25066
561 1 5 . 1 1 40 40 LEU H H 40 7.489 7.489 7.186 0.303 25066
562 1 5 . 1 1 41 41 LEU N N 41 121.218 121.218 120.071 1.147 25066
563 1 5 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.063 -0.674 25066
564 1 5 . 1 1 41 41 LEU H H 41 7.836 7.836 8.672 -0.836 25066
565 1 5 . 1 1 42 42 PHE N N 42 115.079 115.079 120.182 -5.103 25066
566 1 5 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.346 0.160 25066
567 1 5 . 1 1 42 42 PHE H H 42 7.690 7.690 8.679 -0.989 25066
568 1 5 . 1 1 43 43 GLN N N 43 118.402 118.402 118.527 -0.125 25066
569 1 5 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.207 0.101 25066
570 1 5 . 1 1 43 43 GLN H H 43 7.544 7.544 8.181 -0.637 25066
571 1 6 . 1 1 4 4 THR N N 4 113.481 113.481 112.460 1.021 25066
572 1 6 . 1 1 4 4 THR HA H 4 3.996 3.996 4.044 -0.048 25066
573 1 6 . 1 1 4 4 THR H H 4 7.699 7.699 7.740 -0.041 25066
574 1 6 . 1 1 5 5 PHE N N 5 121.531 121.531 120.069 1.462 25066
575 1 6 . 1 1 5 5 PHE HA H 5 4.887 4.887 4.967 -0.080 25066
576 1 6 . 1 1 5 5 PHE H H 5 8.034 8.034 7.431 0.603 25066
577 1 6 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.590 -0.215 25066
578 1 6 . 1 1 7 7 GLU N N 7 126.390 126.390 122.387 4.003 25066
579 1 6 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.863 0.065 25066
580 1 6 . 1 1 7 7 GLU H H 7 8.967 8.967 8.978 -0.011 25066
581 1 6 . 1 1 8 8 GLN N N 8 116.282 116.282 117.337 -1.055 25066
582 1 6 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.056 -0.061 25066
583 1 6 . 1 1 8 8 GLN H H 8 9.046 9.046 8.829 0.217 25066
584 1 6 . 1 1 9 9 THR N N 9 116.775 116.775 113.897 2.878 25066
585 1 6 . 1 1 9 9 THR HA H 9 4.126 4.126 4.143 -0.017 25066
586 1 6 . 1 1 9 9 THR H H 9 7.072 7.072 7.699 -0.627 25066
587 1 6 . 1 1 10 10 ILE N N 10 120.842 120.842 123.724 -2.882 25066
588 1 6 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.681 -0.405 25066
589 1 6 . 1 1 10 10 ILE H H 10 7.342 7.342 8.581 -1.239 25066
590 1 6 . 1 1 11 11 LYS N N 11 119.216 119.216 118.372 0.844 25066
591 1 6 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.979 -0.073 25066
592 1 6 . 1 1 11 11 LYS H H 11 8.586 8.586 8.359 0.227 25066
593 1 6 . 1 1 12 12 GLN N N 12 117.046 117.046 119.386 -2.340 25066
594 1 6 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.104 -0.131 25066
595 1 6 . 1 1 12 12 GLN H H 12 7.589 7.589 7.667 -0.078 25066
596 1 6 . 1 1 13 13 LEU N N 13 117.234 117.234 119.406 -2.172 25066
597 1 6 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.311 -0.114 25066
598 1 6 . 1 1 13 13 LEU H H 13 7.219 7.219 8.123 -0.904 25066
599 1 6 . 1 1 14 14 MET N N 14 120.717 120.717 117.732 2.985 25066
600 1 6 . 1 1 14 14 MET HA H 14 4.468 4.468 4.493 -0.025 25066
601 1 6 . 1 1 14 14 MET H H 14 8.777 8.777 9.010 -0.233 25066
602 1 6 . 1 1 15 15 ASP N N 15 119.445 119.445 120.715 -1.270 25066
603 1 6 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.435 -0.037 25066
604 1 6 . 1 1 15 15 ASP H H 15 8.542 8.542 7.960 0.582 25066
605 1 6 . 1 1 16 16 LEU N N 16 118.590 118.590 118.889 -0.299 25066
606 1 6 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.083 0.182 25066
607 1 6 . 1 1 16 16 LEU H H 16 7.398 7.398 7.445 -0.047 25066
608 1 6 . 1 1 17 17 GLY N N 17 105.555 105.555 103.237 2.318 25066
609 1 6 . 1 1 17 17 GLY H H 17 8.261 8.261 7.610 0.651 25066
610 1 6 . 1 1 18 18 PHE N N 18 117.881 117.881 121.882 -4.001 25066
611 1 6 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.920 -0.026 25066
612 1 6 . 1 1 18 18 PHE H H 18 7.298 7.298 7.176 0.122 25066
613 1 6 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.655 -0.098 25066
614 1 6 . 1 1 20 20 ARG N N 20 121.656 121.656 121.720 -0.064 25066
615 1 6 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.930 -0.365 25066
616 1 6 . 1 1 20 20 ARG H H 20 8.874 8.874 8.745 0.129 25066
617 1 6 . 1 1 21 21 ASP N N 21 114.415 114.415 117.384 -2.969 25066
618 1 6 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.331 -0.155 25066
619 1 6 . 1 1 21 21 ASP H H 21 8.723 8.723 8.666 0.057 25066
620 1 6 . 1 1 22 22 ALA N N 22 121.426 121.426 120.462 0.964 25066
621 1 6 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.028 -0.033 25066
622 1 6 . 1 1 22 22 ALA H H 22 6.960 6.960 7.915 -0.955 25066
623 1 6 . 1 1 23 23 VAL N N 23 119.445 119.445 119.871 -0.426 25066
624 1 6 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.743 -0.466 25066
625 1 6 . 1 1 23 23 VAL H H 23 7.756 7.756 7.550 0.206 25066
626 1 6 . 1 1 24 24 VAL N N 24 118.736 118.736 119.736 -1.000 25066
627 1 6 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.872 0.428 25066
628 1 6 . 1 1 24 24 VAL H H 24 8.520 8.520 7.567 0.953 25066
629 1 6 . 1 1 25 25 LYS N N 25 118.632 118.632 119.512 -0.880 25066
630 1 6 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.847 -0.032 25066
631 1 6 . 1 1 25 25 LYS H H 25 7.488 7.488 8.233 -0.745 25066
632 1 6 . 1 1 26 26 ALA N N 26 121.697 121.697 121.706 -0.009 25066
633 1 6 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.173 -0.245 25066
634 1 6 . 1 1 26 26 ALA H H 26 7.702 7.702 7.803 -0.101 25066
635 1 6 . 1 1 27 27 LEU N N 27 117.308 117.308 119.659 -2.351 25066
636 1 6 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.452 -0.929 25066
637 1 6 . 1 1 27 27 LEU H H 27 8.094 8.094 8.895 -0.801 25066
638 1 6 . 1 1 28 28 LYS N N 28 119.362 119.362 120.693 -1.331 25066
639 1 6 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.271 -0.142 25066
640 1 6 . 1 1 28 28 LYS H H 28 8.206 8.206 8.397 -0.191 25066
641 1 6 . 1 1 29 29 GLN N N 29 118.652 118.652 116.161 2.491 25066
642 1 6 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.258 -0.240 25066
643 1 6 . 1 1 29 29 GLN H H 29 7.701 7.701 7.674 0.027 25066
644 1 6 . 1 1 30 30 THR N N 30 106.842 106.842 110.638 -3.796 25066
645 1 6 . 1 1 30 30 THR HA H 30 4.467 4.467 4.328 0.139 25066
646 1 6 . 1 1 30 30 THR H H 30 7.668 7.668 8.202 -0.534 25066
647 1 6 . 1 1 31 31 ASN N N 31 119.987 119.987 118.580 1.407 25066
648 1 6 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.382 0.063 25066
649 1 6 . 1 1 31 31 ASN H H 31 7.824 7.824 8.061 -0.237 25066
650 1 6 . 1 1 32 32 GLY N N 32 103.111 103.111 103.131 -0.020 25066
651 1 6 . 1 1 32 32 GLY H H 32 9.195 9.195 8.799 0.396 25066
652 1 6 . 1 1 33 33 ASN N N 33 118.444 118.444 118.347 0.097 25066
653 1 6 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.650 -0.144 25066
654 1 6 . 1 1 33 33 ASN H H 33 7.217 7.217 7.436 -0.219 25066
655 1 6 . 1 1 34 34 ALA N N 34 131.993 131.993 128.369 3.624 25066
656 1 6 . 1 1 34 34 ALA HA H 34 3.680 3.680 3.983 -0.303 25066
657 1 6 . 1 1 34 34 ALA H H 34 8.945 8.945 8.933 0.012 25066
658 1 6 . 1 1 35 35 GLU N N 35 120.237 120.237 118.785 1.452 25066
659 1 6 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.132 -0.204 25066
660 1 6 . 1 1 35 35 GLU H H 35 8.083 8.083 8.969 -0.886 25066
661 1 6 . 1 1 36 36 PHE N N 36 118.840 118.840 118.414 0.426 25066
662 1 6 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.242 0.296 25066
663 1 6 . 1 1 36 36 PHE H H 36 8.091 8.091 8.433 -0.342 25066
664 1 6 . 1 1 37 37 ALA N N 37 123.283 123.283 122.281 1.002 25066
665 1 6 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.099 -0.440 25066
666 1 6 . 1 1 37 37 ALA H H 37 8.317 8.317 8.527 -0.210 25066
667 1 6 . 1 1 38 38 ALA N N 38 118.986 118.986 121.052 -2.066 25066
668 1 6 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.091 -0.523 25066
669 1 6 . 1 1 38 38 ALA H H 38 7.925 7.925 8.770 -0.845 25066
670 1 6 . 1 1 39 39 SER N N 39 110.058 110.058 112.979 -2.921 25066
671 1 6 . 1 1 39 39 SER HA H 39 4.188 4.188 4.000 0.188 25066
672 1 6 . 1 1 39 39 SER H H 39 7.174 7.174 7.640 -0.466 25066
673 1 6 . 1 1 40 40 LEU N N 40 120.821 120.821 120.313 0.508 25066
674 1 6 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.359 -0.431 25066
675 1 6 . 1 1 40 40 LEU H H 40 7.489 7.489 7.503 -0.014 25066
676 1 6 . 1 1 41 41 LEU N N 41 121.218 121.218 120.592 0.626 25066
677 1 6 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.073 -0.684 25066
678 1 6 . 1 1 41 41 LEU H H 41 7.836 7.836 8.411 -0.575 25066
679 1 6 . 1 1 42 42 PHE N N 42 115.079 115.079 119.674 -4.595 25066
680 1 6 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.179 0.327 25066
681 1 6 . 1 1 42 42 PHE H H 42 7.690 7.690 8.498 -0.808 25066
682 1 6 . 1 1 43 43 GLN N N 43 118.402 118.402 119.435 -1.033 25066
683 1 6 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.161 0.147 25066
684 1 6 . 1 1 43 43 GLN H H 43 7.544 7.544 8.124 -0.580 25066
685 1 7 . 1 1 4 4 THR N N 4 113.481 113.481 108.364 5.117 25066
686 1 7 . 1 1 4 4 THR HA H 4 3.996 3.996 4.011 -0.015 25066
687 1 7 . 1 1 4 4 THR H H 4 7.699 7.699 7.456 0.243 25066
688 1 7 . 1 1 5 5 PHE N N 5 121.531 121.531 119.200 2.331 25066
689 1 7 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.002 -0.115 25066
690 1 7 . 1 1 5 5 PHE H H 5 8.034 8.034 7.449 0.585 25066
691 1 7 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.621 -0.246 25066
692 1 7 . 1 1 7 7 GLU N N 7 126.390 126.390 121.292 5.098 25066
693 1 7 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.824 0.104 25066
694 1 7 . 1 1 7 7 GLU H H 7 8.967 8.967 9.011 -0.044 25066
695 1 7 . 1 1 8 8 GLN N N 8 116.282 116.282 118.559 -2.277 25066
696 1 7 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.099 -0.104 25066
697 1 7 . 1 1 8 8 GLN H H 8 9.046 9.046 8.687 0.359 25066
698 1 7 . 1 1 9 9 THR N N 9 116.775 116.775 113.986 2.789 25066
699 1 7 . 1 1 9 9 THR HA H 9 4.126 4.126 4.162 -0.036 25066
700 1 7 . 1 1 9 9 THR H H 9 7.072 7.072 7.704 -0.632 25066
701 1 7 . 1 1 10 10 ILE N N 10 120.842 120.842 123.584 -2.742 25066
702 1 7 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.683 -0.407 25066
703 1 7 . 1 1 10 10 ILE H H 10 7.342 7.342 8.712 -1.370 25066
704 1 7 . 1 1 11 11 LYS N N 11 119.216 119.216 118.332 0.884 25066
705 1 7 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.973 -0.067 25066
706 1 7 . 1 1 11 11 LYS H H 11 8.586 8.586 8.395 0.191 25066
707 1 7 . 1 1 12 12 GLN N N 12 117.046 117.046 119.417 -2.371 25066
708 1 7 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.117 -0.144 25066
709 1 7 . 1 1 12 12 GLN H H 12 7.589 7.589 7.670 -0.081 25066
710 1 7 . 1 1 13 13 LEU N N 13 117.234 117.234 119.310 -2.076 25066
711 1 7 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.285 -0.088 25066
712 1 7 . 1 1 13 13 LEU H H 13 7.219 7.219 8.167 -0.948 25066
713 1 7 . 1 1 14 14 MET N N 14 120.717 120.717 117.603 3.114 25066
714 1 7 . 1 1 14 14 MET HA H 14 4.468 4.468 4.470 -0.002 25066
715 1 7 . 1 1 14 14 MET H H 14 8.777 8.777 8.977 -0.200 25066
716 1 7 . 1 1 15 15 ASP N N 15 119.445 119.445 120.643 -1.198 25066
717 1 7 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.423 -0.025 25066
718 1 7 . 1 1 15 15 ASP H H 15 8.542 8.542 7.940 0.602 25066
719 1 7 . 1 1 16 16 LEU N N 16 118.590 118.590 118.341 0.249 25066
720 1 7 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.026 0.239 25066
721 1 7 . 1 1 16 16 LEU H H 16 7.398 7.398 7.596 -0.198 25066
722 1 7 . 1 1 17 17 GLY N N 17 105.555 105.555 103.483 2.072 25066
723 1 7 . 1 1 17 17 GLY H H 17 8.261 8.261 7.547 0.714 25066
724 1 7 . 1 1 18 18 PHE N N 18 117.881 117.881 121.829 -3.948 25066
725 1 7 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.814 0.080 25066
726 1 7 . 1 1 18 18 PHE H H 18 7.298 7.298 7.353 -0.055 25066
727 1 7 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.625 -0.068 25066
728 1 7 . 1 1 20 20 ARG N N 20 121.656 121.656 120.911 0.745 25066
729 1 7 . 1 1 20 20 ARG HA H 20 3.565 3.565 4.011 -0.446 25066
730 1 7 . 1 1 20 20 ARG H H 20 8.874 8.874 8.890 -0.017 25066
731 1 7 . 1 1 21 21 ASP N N 21 114.415 114.415 118.245 -3.830 25066
732 1 7 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.309 -0.133 25066
733 1 7 . 1 1 21 21 ASP H H 21 8.723 8.723 8.800 -0.077 25066
734 1 7 . 1 1 22 22 ALA N N 22 121.426 121.426 121.336 0.090 25066
735 1 7 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.029 -0.034 25066
736 1 7 . 1 1 22 22 ALA H H 22 6.960 6.960 7.696 -0.736 25066
737 1 7 . 1 1 23 23 VAL N N 23 119.445 119.445 119.923 -0.478 25066
738 1 7 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.700 -0.423 25066
739 1 7 . 1 1 23 23 VAL H H 23 7.756 7.756 7.439 0.317 25066
740 1 7 . 1 1 24 24 VAL N N 24 118.736 118.736 119.551 -0.815 25066
741 1 7 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.668 0.632 25066
742 1 7 . 1 1 24 24 VAL H H 24 8.520 8.520 7.494 1.026 25066
743 1 7 . 1 1 25 25 LYS N N 25 118.632 118.632 119.423 -0.791 25066
744 1 7 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.919 -0.104 25066
745 1 7 . 1 1 25 25 LYS H H 25 7.488 7.488 8.428 -0.940 25066
746 1 7 . 1 1 26 26 ALA N N 26 121.697 121.697 122.109 -0.412 25066
747 1 7 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.328 -0.400 25066
748 1 7 . 1 1 26 26 ALA H H 26 7.702 7.702 7.685 0.017 25066
749 1 7 . 1 1 27 27 LEU N N 27 117.308 117.308 119.580 -2.272 25066
750 1 7 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.381 -0.858 25066
751 1 7 . 1 1 27 27 LEU H H 27 8.094 8.094 8.934 -0.840 25066
752 1 7 . 1 1 28 28 LYS N N 28 119.362 119.362 120.526 -1.164 25066
753 1 7 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.270 -0.141 25066
754 1 7 . 1 1 28 28 LYS H H 28 8.206 8.206 8.361 -0.155 25066
755 1 7 . 1 1 29 29 GLN N N 29 118.652 118.652 117.408 1.244 25066
756 1 7 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.233 -0.215 25066
757 1 7 . 1 1 29 29 GLN H H 29 7.701 7.701 7.671 0.030 25066
758 1 7 . 1 1 30 30 THR N N 30 106.842 106.842 109.464 -2.622 25066
759 1 7 . 1 1 30 30 THR HA H 30 4.467 4.467 4.339 0.128 25066
760 1 7 . 1 1 30 30 THR H H 30 7.668 7.668 8.075 -0.407 25066
761 1 7 . 1 1 31 31 ASN N N 31 119.987 119.987 119.247 0.740 25066
762 1 7 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.420 0.025 25066
763 1 7 . 1 1 31 31 ASN H H 31 7.824 7.824 8.084 -0.260 25066
764 1 7 . 1 1 32 32 GLY N N 32 103.111 103.111 104.731 -1.620 25066
765 1 7 . 1 1 32 32 GLY H H 32 9.195 9.195 8.950 0.245 25066
766 1 7 . 1 1 33 33 ASN N N 33 118.444 118.444 116.893 1.551 25066
767 1 7 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.778 -0.272 25066
768 1 7 . 1 1 33 33 ASN H H 33 7.217 7.217 7.415 -0.198 25066
769 1 7 . 1 1 34 34 ALA N N 34 131.993 131.993 127.682 4.311 25066
770 1 7 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.004 -0.324 25066
771 1 7 . 1 1 34 34 ALA H H 34 8.945 8.945 8.888 0.057 25066
772 1 7 . 1 1 35 35 GLU N N 35 120.237 120.237 119.134 1.103 25066
773 1 7 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.119 -0.191 25066
774 1 7 . 1 1 35 35 GLU H H 35 8.083 8.083 8.844 -0.761 25066
775 1 7 . 1 1 36 36 PHE N N 36 118.840 118.840 119.173 -0.333 25066
776 1 7 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.264 0.274 25066
777 1 7 . 1 1 36 36 PHE H H 36 8.091 8.091 8.016 0.075 25066
778 1 7 . 1 1 37 37 ALA N N 37 123.283 123.283 122.489 0.794 25066
779 1 7 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.437 -0.778 25066
780 1 7 . 1 1 37 37 ALA H H 37 8.317 8.317 8.001 0.316 25066
781 1 7 . 1 1 38 38 ALA N N 38 118.986 118.986 120.854 -1.868 25066
782 1 7 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.091 -0.523 25066
783 1 7 . 1 1 38 38 ALA H H 38 7.925 7.925 8.705 -0.780 25066
784 1 7 . 1 1 39 39 SER N N 39 110.058 110.058 113.136 -3.078 25066
785 1 7 . 1 1 39 39 SER HA H 39 4.188 4.188 4.094 0.094 25066
786 1 7 . 1 1 39 39 SER H H 39 7.174 7.174 7.618 -0.444 25066
787 1 7 . 1 1 40 40 LEU N N 40 120.821 120.821 119.817 1.004 25066
788 1 7 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.345 -0.417 25066
789 1 7 . 1 1 40 40 LEU H H 40 7.489 7.489 7.548 -0.059 25066
790 1 7 . 1 1 41 41 LEU N N 41 121.218 121.218 120.401 0.817 25066
791 1 7 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.085 -0.696 25066
792 1 7 . 1 1 41 41 LEU H H 41 7.836 7.836 8.650 -0.814 25066
793 1 7 . 1 1 42 42 PHE N N 42 115.079 115.079 119.957 -4.878 25066
794 1 7 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.116 0.390 25066
795 1 7 . 1 1 42 42 PHE H H 42 7.690 7.690 8.516 -0.826 25066
796 1 7 . 1 1 43 43 GLN N N 43 118.402 118.402 118.210 0.192 25066
797 1 7 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.097 0.211 25066
798 1 7 . 1 1 43 43 GLN H H 43 7.544 7.544 8.324 -0.780 25066
799 1 8 . 1 1 4 4 THR N N 4 113.481 113.481 111.614 1.867 25066
800 1 8 . 1 1 4 4 THR HA H 4 3.996 3.996 3.929 0.067 25066
801 1 8 . 1 1 4 4 THR H H 4 7.699 7.699 7.917 -0.218 25066
802 1 8 . 1 1 5 5 PHE N N 5 121.531 121.531 118.207 3.324 25066
803 1 8 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.036 -0.149 25066
804 1 8 . 1 1 5 5 PHE H H 5 8.034 8.034 7.367 0.667 25066
805 1 8 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.595 -0.220 25066
806 1 8 . 1 1 7 7 GLU N N 7 126.390 126.390 121.019 5.371 25066
807 1 8 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.914 0.014 25066
808 1 8 . 1 1 7 7 GLU H H 7 8.967 8.967 8.844 0.123 25066
809 1 8 . 1 1 8 8 GLN N N 8 116.282 116.282 118.501 -2.219 25066
810 1 8 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.025 -0.030 25066
811 1 8 . 1 1 8 8 GLN H H 8 9.046 9.046 8.747 0.299 25066
812 1 8 . 1 1 9 9 THR N N 9 116.775 116.775 112.886 3.889 25066
813 1 8 . 1 1 9 9 THR HA H 9 4.126 4.126 4.128 -0.002 25066
814 1 8 . 1 1 9 9 THR H H 9 7.072 7.072 7.597 -0.525 25066
815 1 8 . 1 1 10 10 ILE N N 10 120.842 120.842 123.804 -2.962 25066
816 1 8 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.778 -0.502 25066
817 1 8 . 1 1 10 10 ILE H H 10 7.342 7.342 8.704 -1.362 25066
818 1 8 . 1 1 11 11 LYS N N 11 119.216 119.216 118.443 0.773 25066
819 1 8 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.984 -0.078 25066
820 1 8 . 1 1 11 11 LYS H H 11 8.586 8.586 8.589 -0.003 25066
821 1 8 . 1 1 12 12 GLN N N 12 117.046 117.046 119.547 -2.501 25066
822 1 8 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.102 -0.129 25066
823 1 8 . 1 1 12 12 GLN H H 12 7.589 7.589 7.727 -0.138 25066
824 1 8 . 1 1 13 13 LEU N N 13 117.234 117.234 119.693 -2.459 25066
825 1 8 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.359 -0.162 25066
826 1 8 . 1 1 13 13 LEU H H 13 7.219 7.219 8.172 -0.953 25066
827 1 8 . 1 1 14 14 MET N N 14 120.717 120.717 118.279 2.438 25066
828 1 8 . 1 1 14 14 MET HA H 14 4.468 4.468 4.615 -0.147 25066
829 1 8 . 1 1 14 14 MET H H 14 8.777 8.777 8.989 -0.212 25066
830 1 8 . 1 1 15 15 ASP N N 15 119.445 119.445 120.998 -1.553 25066
831 1 8 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.421 -0.023 25066
832 1 8 . 1 1 15 15 ASP H H 15 8.542 8.542 8.090 0.452 25066
833 1 8 . 1 1 16 16 LEU N N 16 118.590 118.590 117.543 1.047 25066
834 1 8 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.109 0.156 25066
835 1 8 . 1 1 16 16 LEU H H 16 7.398 7.398 7.551 -0.153 25066
836 1 8 . 1 1 17 17 GLY N N 17 105.555 105.555 104.302 1.253 25066
837 1 8 . 1 1 17 17 GLY H H 17 8.261 8.261 7.407 0.854 25066
838 1 8 . 1 1 18 18 PHE N N 18 117.881 117.881 121.374 -3.493 25066
839 1 8 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.974 -0.080 25066
840 1 8 . 1 1 18 18 PHE H H 18 7.298 7.298 7.284 0.014 25066
841 1 8 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.689 -0.132 25066
842 1 8 . 1 1 20 20 ARG N N 20 121.656 121.656 121.554 0.102 25066
843 1 8 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.950 -0.385 25066
844 1 8 . 1 1 20 20 ARG H H 20 8.874 8.874 8.821 0.053 25066
845 1 8 . 1 1 21 21 ASP N N 21 114.415 114.415 117.651 -3.236 25066
846 1 8 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.324 -0.148 25066
847 1 8 . 1 1 21 21 ASP H H 21 8.723 8.723 8.699 0.024 25066
848 1 8 . 1 1 22 22 ALA N N 22 121.426 121.426 122.107 -0.681 25066
849 1 8 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.144 -0.149 25066
850 1 8 . 1 1 22 22 ALA H H 22 6.960 6.960 8.097 -1.137 25066
851 1 8 . 1 1 23 23 VAL N N 23 119.445 119.445 119.844 -0.399 25066
852 1 8 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.594 -0.317 25066
853 1 8 . 1 1 23 23 VAL H H 23 7.756 7.756 7.579 0.177 25066
854 1 8 . 1 1 24 24 VAL N N 24 118.736 118.736 119.390 -0.654 25066
855 1 8 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.165 1.135 25066
856 1 8 . 1 1 24 24 VAL H H 24 8.520 8.520 7.530 0.990 25066
857 1 8 . 1 1 25 25 LYS N N 25 118.632 118.632 119.161 -0.529 25066
858 1 8 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.855 -0.040 25066
859 1 8 . 1 1 25 25 LYS H H 25 7.488 7.488 8.104 -0.616 25066
860 1 8 . 1 1 26 26 ALA N N 26 121.697 121.697 121.103 0.594 25066
861 1 8 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.205 -0.277 25066
862 1 8 . 1 1 26 26 ALA H H 26 7.702 7.702 7.443 0.259 25066
863 1 8 . 1 1 27 27 LEU N N 27 117.308 117.308 119.131 -1.823 25066
864 1 8 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.625 -1.102 25066
865 1 8 . 1 1 27 27 LEU H H 27 8.094 8.094 8.739 -0.645 25066
866 1 8 . 1 1 28 28 LYS N N 28 119.362 119.362 120.321 -0.959 25066
867 1 8 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.285 -0.156 25066
868 1 8 . 1 1 28 28 LYS H H 28 8.206 8.206 8.523 -0.317 25066
869 1 8 . 1 1 29 29 GLN N N 29 118.652 118.652 118.481 0.171 25066
870 1 8 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.217 -0.199 25066
871 1 8 . 1 1 29 29 GLN H H 29 7.701 7.701 7.783 -0.082 25066
872 1 8 . 1 1 30 30 THR N N 30 106.842 106.842 108.623 -1.781 25066
873 1 8 . 1 1 30 30 THR HA H 30 4.467 4.467 4.406 0.061 25066
874 1 8 . 1 1 30 30 THR H H 30 7.668 7.668 7.765 -0.097 25066
875 1 8 . 1 1 31 31 ASN N N 31 119.987 119.987 118.701 1.286 25066
876 1 8 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.393 0.052 25066
877 1 8 . 1 1 31 31 ASN H H 31 7.824 7.824 8.156 -0.332 25066
878 1 8 . 1 1 32 32 GLY N N 32 103.111 103.111 105.122 -2.011 25066
879 1 8 . 1 1 32 32 GLY H H 32 9.195 9.195 8.860 0.335 25066
880 1 8 . 1 1 33 33 ASN N N 33 118.444 118.444 116.345 2.099 25066
881 1 8 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.944 -0.438 25066
882 1 8 . 1 1 33 33 ASN H H 33 7.217 7.217 7.561 -0.344 25066
883 1 8 . 1 1 34 34 ALA N N 34 131.993 131.993 124.134 7.859 25066
884 1 8 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.221 -0.541 25066
885 1 8 . 1 1 34 34 ALA H H 34 8.945 8.945 8.840 0.105 25066
886 1 8 . 1 1 35 35 GLU N N 35 120.237 120.237 118.560 1.677 25066
887 1 8 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.132 -0.204 25066
888 1 8 . 1 1 35 35 GLU H H 35 8.083 8.083 8.861 -0.778 25066
889 1 8 . 1 1 36 36 PHE N N 36 118.840 118.840 117.593 1.247 25066
890 1 8 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.313 0.225 25066
891 1 8 . 1 1 36 36 PHE H H 36 8.091 8.091 8.416 -0.325 25066
892 1 8 . 1 1 37 37 ALA N N 37 123.283 123.283 122.954 0.329 25066
893 1 8 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.059 -0.400 25066
894 1 8 . 1 1 37 37 ALA H H 37 8.317 8.317 7.743 0.574 25066
895 1 8 . 1 1 38 38 ALA N N 38 118.986 118.986 121.020 -2.034 25066
896 1 8 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.102 -0.534 25066
897 1 8 . 1 1 38 38 ALA H H 38 7.925 7.925 8.094 -0.169 25066
898 1 8 . 1 1 39 39 SER N N 39 110.058 110.058 113.478 -3.420 25066
899 1 8 . 1 1 39 39 SER HA H 39 4.188 4.188 4.065 0.123 25066
900 1 8 . 1 1 39 39 SER H H 39 7.174 7.174 7.717 -0.543 25066
901 1 8 . 1 1 40 40 LEU N N 40 120.821 120.821 119.790 1.031 25066
902 1 8 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.361 -0.433 25066
903 1 8 . 1 1 40 40 LEU H H 40 7.489 7.489 7.180 0.309 25066
904 1 8 . 1 1 41 41 LEU N N 41 121.218 121.218 120.497 0.721 25066
905 1 8 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.046 -0.657 25066
906 1 8 . 1 1 41 41 LEU H H 41 7.836 7.836 8.556 -0.720 25066
907 1 8 . 1 1 42 42 PHE N N 42 115.079 115.079 119.963 -4.884 25066
908 1 8 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.077 0.429 25066
909 1 8 . 1 1 42 42 PHE H H 42 7.690 7.690 8.570 -0.880 25066
910 1 8 . 1 1 43 43 GLN N N 43 118.402 118.402 118.058 0.344 25066
911 1 8 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.063 0.245 25066
912 1 8 . 1 1 43 43 GLN H H 43 7.544 7.544 8.046 -0.502 25066
913 1 9 . 1 1 4 4 THR N N 4 113.481 113.481 111.921 1.560 25066
914 1 9 . 1 1 4 4 THR HA H 4 3.996 3.996 3.898 0.098 25066
915 1 9 . 1 1 4 4 THR H H 4 7.699 7.699 7.784 -0.085 25066
916 1 9 . 1 1 5 5 PHE N N 5 121.531 121.531 117.572 3.959 25066
917 1 9 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.073 -0.186 25066
918 1 9 . 1 1 5 5 PHE H H 5 8.034 8.034 7.373 0.661 25066
919 1 9 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.683 -0.308 25066
920 1 9 . 1 1 7 7 GLU N N 7 126.390 126.390 120.883 5.507 25066
921 1 9 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.881 0.047 25066
922 1 9 . 1 1 7 7 GLU H H 7 8.967 8.967 8.864 0.103 25066
923 1 9 . 1 1 8 8 GLN N N 8 116.282 116.282 118.093 -1.811 25066
924 1 9 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.047 -0.052 25066
925 1 9 . 1 1 8 8 GLN H H 8 9.046 9.046 8.735 0.311 25066
926 1 9 . 1 1 9 9 THR N N 9 116.775 116.775 113.770 3.005 25066
927 1 9 . 1 1 9 9 THR HA H 9 4.126 4.126 4.143 -0.017 25066
928 1 9 . 1 1 9 9 THR H H 9 7.072 7.072 7.755 -0.683 25066
929 1 9 . 1 1 10 10 ILE N N 10 120.842 120.842 123.763 -2.921 25066
930 1 9 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.728 -0.452 25066
931 1 9 . 1 1 10 10 ILE H H 10 7.342 7.342 8.722 -1.380 25066
932 1 9 . 1 1 11 11 LYS N N 11 119.216 119.216 118.438 0.778 25066
933 1 9 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.976 -0.070 25066
934 1 9 . 1 1 11 11 LYS H H 11 8.586 8.586 8.581 0.005 25066
935 1 9 . 1 1 12 12 GLN N N 12 117.046 117.046 119.159 -2.113 25066
936 1 9 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.153 -0.180 25066
937 1 9 . 1 1 12 12 GLN H H 12 7.589 7.589 7.848 -0.259 25066
938 1 9 . 1 1 13 13 LEU N N 13 117.234 117.234 119.681 -2.447 25066
939 1 9 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.399 -0.202 25066
940 1 9 . 1 1 13 13 LEU H H 13 7.219 7.219 8.422 -1.203 25066
941 1 9 . 1 1 14 14 MET N N 14 120.717 120.717 118.619 2.098 25066
942 1 9 . 1 1 14 14 MET HA H 14 4.468 4.468 4.542 -0.074 25066
943 1 9 . 1 1 14 14 MET H H 14 8.777 8.777 8.874 -0.097 25066
944 1 9 . 1 1 15 15 ASP N N 15 119.445 119.445 120.000 -0.555 25066
945 1 9 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.357 0.041 25066
946 1 9 . 1 1 15 15 ASP H H 15 8.542 8.542 7.792 0.750 25066
947 1 9 . 1 1 16 16 LEU N N 16 118.590 118.590 118.934 -0.344 25066
948 1 9 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.114 0.151 25066
949 1 9 . 1 1 16 16 LEU H H 16 7.398 7.398 7.565 -0.167 25066
950 1 9 . 1 1 17 17 GLY N N 17 105.555 105.555 102.873 2.682 25066
951 1 9 . 1 1 17 17 GLY H H 17 8.261 8.261 7.281 0.980 25066
952 1 9 . 1 1 18 18 PHE N N 18 117.881 117.881 121.263 -3.382 25066
953 1 9 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.912 -0.018 25066
954 1 9 . 1 1 18 18 PHE H H 18 7.298 7.298 7.582 -0.284 25066
955 1 9 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.663 -0.106 25066
956 1 9 . 1 1 20 20 ARG N N 20 121.656 121.656 121.167 0.489 25066
957 1 9 . 1 1 20 20 ARG HA H 20 3.565 3.565 4.007 -0.442 25066
958 1 9 . 1 1 20 20 ARG H H 20 8.874 8.874 8.834 0.040 25066
959 1 9 . 1 1 21 21 ASP N N 21 114.415 114.415 117.600 -3.185 25066
960 1 9 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.335 -0.159 25066
961 1 9 . 1 1 21 21 ASP H H 21 8.723 8.723 8.808 -0.085 25066
962 1 9 . 1 1 22 22 ALA N N 22 121.426 121.426 122.124 -0.698 25066
963 1 9 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.145 -0.150 25066
964 1 9 . 1 1 22 22 ALA H H 22 6.960 6.960 7.773 -0.813 25066
965 1 9 . 1 1 23 23 VAL N N 23 119.445 119.445 119.768 -0.323 25066
966 1 9 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.626 -0.349 25066
967 1 9 . 1 1 23 23 VAL H H 23 7.756 7.756 7.495 0.261 25066
968 1 9 . 1 1 24 24 VAL N N 24 118.736 118.736 119.650 -0.914 25066
969 1 9 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.593 0.707 25066
970 1 9 . 1 1 24 24 VAL H H 24 8.520 8.520 7.577 0.943 25066
971 1 9 . 1 1 25 25 LYS N N 25 118.632 118.632 119.380 -0.748 25066
972 1 9 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.864 -0.049 25066
973 1 9 . 1 1 25 25 LYS H H 25 7.488 7.488 8.305 -0.817 25066
974 1 9 . 1 1 26 26 ALA N N 26 121.697 121.697 121.630 0.067 25066
975 1 9 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.192 -0.264 25066
976 1 9 . 1 1 26 26 ALA H H 26 7.702 7.702 7.636 0.066 25066
977 1 9 . 1 1 27 27 LEU N N 27 117.308 117.308 119.960 -2.652 25066
978 1 9 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.482 -0.960 25066
979 1 9 . 1 1 27 27 LEU H H 27 8.094 8.094 8.934 -0.840 25066
980 1 9 . 1 1 28 28 LYS N N 28 119.362 119.362 120.545 -1.183 25066
981 1 9 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.265 -0.136 25066
982 1 9 . 1 1 28 28 LYS H H 28 8.206 8.206 8.430 -0.224 25066
983 1 9 . 1 1 29 29 GLN N N 29 118.652 118.652 116.007 2.645 25066
984 1 9 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.258 -0.240 25066
985 1 9 . 1 1 29 29 GLN H H 29 7.701 7.701 7.676 0.025 25066
986 1 9 . 1 1 30 30 THR N N 30 106.842 106.842 110.442 -3.600 25066
987 1 9 . 1 1 30 30 THR HA H 30 4.467 4.467 4.308 0.159 25066
988 1 9 . 1 1 30 30 THR H H 30 7.668 7.668 8.222 -0.554 25066
989 1 9 . 1 1 31 31 ASN N N 31 119.987 119.987 119.062 0.925 25066
990 1 9 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.420 0.025 25066
991 1 9 . 1 1 31 31 ASN H H 31 7.824 7.824 8.132 -0.308 25066
992 1 9 . 1 1 32 32 GLY N N 32 103.111 103.111 105.072 -1.961 25066
993 1 9 . 1 1 32 32 GLY H H 32 9.195 9.195 8.935 0.260 25066
994 1 9 . 1 1 33 33 ASN N N 33 118.444 118.444 117.782 0.662 25066
995 1 9 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.705 -0.199 25066
996 1 9 . 1 1 33 33 ASN H H 33 7.217 7.217 7.399 -0.182 25066
997 1 9 . 1 1 34 34 ALA N N 34 131.993 131.993 127.921 4.072 25066
998 1 9 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.108 -0.428 25066
999 1 9 . 1 1 34 34 ALA H H 34 8.945 8.945 9.037 -0.092 25066
1000 1 9 . 1 1 35 35 GLU N N 35 120.237 120.237 118.672 1.565 25066
1001 1 9 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.150 -0.222 25066
1002 1 9 . 1 1 35 35 GLU H H 35 8.083 8.083 8.997 -0.914 25066
1003 1 9 . 1 1 36 36 PHE N N 36 118.840 118.840 118.223 0.617 25066
1004 1 9 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.339 0.199 25066
1005 1 9 . 1 1 36 36 PHE H H 36 8.091 8.091 8.603 -0.512 25066
1006 1 9 . 1 1 37 37 ALA N N 37 123.283 123.283 122.490 0.793 25066
1007 1 9 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.131 -0.472 25066
1008 1 9 . 1 1 37 37 ALA H H 37 8.317 8.317 7.430 0.887 25066
1009 1 9 . 1 1 38 38 ALA N N 38 118.986 118.986 121.485 -2.499 25066
1010 1 9 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.076 -0.508 25066
1011 1 9 . 1 1 38 38 ALA H H 38 7.925 7.925 8.767 -0.842 25066
1012 1 9 . 1 1 39 39 SER N N 39 110.058 110.058 113.142 -3.084 25066
1013 1 9 . 1 1 39 39 SER HA H 39 4.188 4.188 4.083 0.105 25066
1014 1 9 . 1 1 39 39 SER H H 39 7.174 7.174 7.659 -0.485 25066
1015 1 9 . 1 1 40 40 LEU N N 40 120.821 120.821 120.121 0.700 25066
1016 1 9 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.333 -0.405 25066
1017 1 9 . 1 1 40 40 LEU H H 40 7.489 7.489 7.567 -0.078 25066
1018 1 9 . 1 1 41 41 LEU N N 41 121.218 121.218 119.834 1.384 25066
1019 1 9 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.089 -0.700 25066
1020 1 9 . 1 1 41 41 LEU H H 41 7.836 7.836 8.690 -0.854 25066
1021 1 9 . 1 1 42 42 PHE N N 42 115.079 115.079 120.600 -5.521 25066
1022 1 9 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.112 0.394 25066
1023 1 9 . 1 1 42 42 PHE H H 42 7.690 7.690 8.467 -0.777 25066
1024 1 9 . 1 1 43 43 GLN N N 43 118.402 118.402 118.097 0.305 25066
1025 1 9 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.080 0.228 25066
1026 1 9 . 1 1 43 43 GLN H H 43 7.544 7.544 8.167 -0.623 25066
1027 1 10 . 1 1 4 4 THR N N 4 113.481 113.481 109.950 3.531 25066
1028 1 10 . 1 1 4 4 THR HA H 4 3.996 3.996 3.923 0.073 25066
1029 1 10 . 1 1 4 4 THR H H 4 7.699 7.699 7.670 0.029 25066
1030 1 10 . 1 1 5 5 PHE N N 5 121.531 121.531 118.332 3.199 25066
1031 1 10 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.227 -0.340 25066
1032 1 10 . 1 1 5 5 PHE H H 5 8.034 8.034 7.412 0.622 25066
1033 1 10 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.651 -0.276 25066
1034 1 10 . 1 1 7 7 GLU N N 7 126.390 126.390 120.454 5.936 25066
1035 1 10 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.978 -0.050 25066
1036 1 10 . 1 1 7 7 GLU H H 7 8.967 8.967 8.859 0.108 25066
1037 1 10 . 1 1 8 8 GLN N N 8 116.282 116.282 119.145 -2.863 25066
1038 1 10 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.041 -0.046 25066
1039 1 10 . 1 1 8 8 GLN H H 8 9.046 9.046 8.629 0.417 25066
1040 1 10 . 1 1 9 9 THR N N 9 116.775 116.775 113.871 2.904 25066
1041 1 10 . 1 1 9 9 THR HA H 9 4.126 4.126 4.099 0.027 25066
1042 1 10 . 1 1 9 9 THR H H 9 7.072 7.072 7.635 -0.563 25066
1043 1 10 . 1 1 10 10 ILE N N 10 120.842 120.842 122.798 -1.956 25066
1044 1 10 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.779 -0.503 25066
1045 1 10 . 1 1 10 10 ILE H H 10 7.342 7.342 8.827 -1.485 25066
1046 1 10 . 1 1 11 11 LYS N N 11 119.216 119.216 118.833 0.383 25066
1047 1 10 . 1 1 11 11 LYS HA H 11 3.906 3.906 4.000 -0.094 25066
1048 1 10 . 1 1 11 11 LYS H H 11 8.586 8.586 8.377 0.209 25066
1049 1 10 . 1 1 12 12 GLN N N 12 117.046 117.046 119.717 -2.671 25066
1050 1 10 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.133 -0.160 25066
1051 1 10 . 1 1 12 12 GLN H H 12 7.589 7.589 8.183 -0.594 25066
1052 1 10 . 1 1 13 13 LEU N N 13 117.234 117.234 119.506 -2.272 25066
1053 1 10 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.374 -0.177 25066
1054 1 10 . 1 1 13 13 LEU H H 13 7.219 7.219 8.035 -0.816 25066
1055 1 10 . 1 1 14 14 MET N N 14 120.717 120.717 118.579 2.138 25066
1056 1 10 . 1 1 14 14 MET HA H 14 4.468 4.468 4.527 -0.059 25066
1057 1 10 . 1 1 14 14 MET H H 14 8.777 8.777 8.945 -0.168 25066
1058 1 10 . 1 1 15 15 ASP N N 15 119.445 119.445 119.923 -0.478 25066
1059 1 10 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.408 -0.010 25066
1060 1 10 . 1 1 15 15 ASP H H 15 8.542 8.542 7.882 0.660 25066
1061 1 10 . 1 1 16 16 LEU N N 16 118.590 118.590 118.123 0.467 25066
1062 1 10 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.349 -0.084 25066
1063 1 10 . 1 1 16 16 LEU H H 16 7.398 7.398 7.555 -0.157 25066
1064 1 10 . 1 1 17 17 GLY N N 17 105.555 105.555 104.651 0.904 25066
1065 1 10 . 1 1 17 17 GLY H H 17 8.261 8.261 7.479 0.782 25066
1066 1 10 . 1 1 18 18 PHE N N 18 117.881 117.881 120.326 -2.445 25066
1067 1 10 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.941 -0.047 25066
1068 1 10 . 1 1 18 18 PHE H H 18 7.298 7.298 7.528 -0.230 25066
1069 1 10 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.681 -0.124 25066
1070 1 10 . 1 1 20 20 ARG N N 20 121.656 121.656 121.336 0.320 25066
1071 1 10 . 1 1 20 20 ARG HA H 20 3.565 3.565 4.009 -0.444 25066
1072 1 10 . 1 1 20 20 ARG H H 20 8.874 8.874 8.867 0.007 25066
1073 1 10 . 1 1 21 21 ASP N N 21 114.415 114.415 118.113 -3.698 25066
1074 1 10 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.306 -0.130 25066
1075 1 10 . 1 1 21 21 ASP H H 21 8.723 8.723 8.788 -0.065 25066
1076 1 10 . 1 1 22 22 ALA N N 22 121.426 121.426 121.097 0.329 25066
1077 1 10 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.131 -0.136 25066
1078 1 10 . 1 1 22 22 ALA H H 22 6.960 6.960 7.699 -0.739 25066
1079 1 10 . 1 1 23 23 VAL N N 23 119.445 119.445 119.752 -0.307 25066
1080 1 10 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.617 -0.340 25066
1081 1 10 . 1 1 23 23 VAL H H 23 7.756 7.756 7.511 0.245 25066
1082 1 10 . 1 1 24 24 VAL N N 24 118.736 118.736 120.117 -1.381 25066
1083 1 10 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.799 0.501 25066
1084 1 10 . 1 1 24 24 VAL H H 24 8.520 8.520 7.594 0.926 25066
1085 1 10 . 1 1 25 25 LYS N N 25 118.632 118.632 118.807 -0.175 25066
1086 1 10 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.925 -0.110 25066
1087 1 10 . 1 1 25 25 LYS H H 25 7.488 7.488 8.259 -0.771 25066
1088 1 10 . 1 1 26 26 ALA N N 26 121.697 121.697 121.579 0.118 25066
1089 1 10 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.209 -0.281 25066
1090 1 10 . 1 1 26 26 ALA H H 26 7.702 7.702 7.626 0.076 25066
1091 1 10 . 1 1 27 27 LEU N N 27 117.308 117.308 119.577 -2.269 25066
1092 1 10 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.555 -1.032 25066
1093 1 10 . 1 1 27 27 LEU H H 27 8.094 8.094 8.976 -0.882 25066
1094 1 10 . 1 1 28 28 LYS N N 28 119.362 119.362 120.622 -1.260 25066
1095 1 10 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.324 -0.195 25066
1096 1 10 . 1 1 28 28 LYS H H 28 8.206 8.206 8.747 -0.541 25066
1097 1 10 . 1 1 29 29 GLN N N 29 118.652 118.652 115.949 2.703 25066
1098 1 10 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.319 -0.301 25066
1099 1 10 . 1 1 29 29 GLN H H 29 7.701 7.701 7.641 0.061 25066
1100 1 10 . 1 1 30 30 THR N N 30 106.842 106.842 110.672 -3.830 25066
1101 1 10 . 1 1 30 30 THR HA H 30 4.467 4.467 4.304 0.163 25066
1102 1 10 . 1 1 30 30 THR H H 30 7.668 7.668 8.335 -0.667 25066
1103 1 10 . 1 1 31 31 ASN N N 31 119.987 119.987 120.335 -0.348 25066
1104 1 10 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.351 0.094 25066
1105 1 10 . 1 1 31 31 ASN H H 31 7.824 7.824 7.760 0.064 25066
1106 1 10 . 1 1 32 32 GLY N N 32 103.111 103.111 105.467 -2.356 25066
1107 1 10 . 1 1 32 32 GLY H H 32 9.195 9.195 8.845 0.350 25066
1108 1 10 . 1 1 33 33 ASN N N 33 118.444 118.444 117.727 0.717 25066
1109 1 10 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.675 -0.169 25066
1110 1 10 . 1 1 33 33 ASN H H 33 7.217 7.217 7.361 -0.144 25066
1111 1 10 . 1 1 34 34 ALA N N 34 131.993 131.993 127.310 4.683 25066
1112 1 10 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.092 -0.412 25066
1113 1 10 . 1 1 34 34 ALA H H 34 8.945 8.945 9.020 -0.075 25066
1114 1 10 . 1 1 35 35 GLU N N 35 120.237 120.237 118.807 1.430 25066
1115 1 10 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.277 -0.349 25066
1116 1 10 . 1 1 35 35 GLU H H 35 8.083 8.083 8.974 -0.891 25066
1117 1 10 . 1 1 36 36 PHE N N 36 118.840 118.840 118.637 0.203 25066
1118 1 10 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.297 0.241 25066
1119 1 10 . 1 1 36 36 PHE H H 36 8.091 8.091 8.480 -0.389 25066
1120 1 10 . 1 1 37 37 ALA N N 37 123.283 123.283 122.839 0.444 25066
1121 1 10 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.061 -0.402 25066
1122 1 10 . 1 1 37 37 ALA H H 37 8.317 8.317 7.937 0.380 25066
1123 1 10 . 1 1 38 38 ALA N N 38 118.986 118.986 121.220 -2.234 25066
1124 1 10 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.125 -0.557 25066
1125 1 10 . 1 1 38 38 ALA H H 38 7.925 7.925 8.348 -0.423 25066
1126 1 10 . 1 1 39 39 SER N N 39 110.058 110.058 113.239 -3.181 25066
1127 1 10 . 1 1 39 39 SER HA H 39 4.188 4.188 4.099 0.089 25066
1128 1 10 . 1 1 39 39 SER H H 39 7.174 7.174 7.730 -0.556 25066
1129 1 10 . 1 1 40 40 LEU N N 40 120.821 120.821 119.395 1.426 25066
1130 1 10 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.388 -0.460 25066
1131 1 10 . 1 1 40 40 LEU H H 40 7.489 7.489 7.523 -0.034 25066
1132 1 10 . 1 1 41 41 LEU N N 41 121.218 121.218 120.627 0.591 25066
1133 1 10 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.091 -0.702 25066
1134 1 10 . 1 1 41 41 LEU H H 41 7.836 7.836 8.563 -0.727 25066
1135 1 10 . 1 1 42 42 PHE N N 42 115.079 115.079 120.144 -5.065 25066
1136 1 10 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.009 0.497 25066
1137 1 10 . 1 1 42 42 PHE H H 42 7.690 7.690 8.653 -0.963 25066
1138 1 10 . 1 1 43 43 GLN N N 43 118.402 118.402 118.495 -0.093 25066
1139 1 10 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.042 0.266 25066
1140 1 10 . 1 1 43 43 GLN H H 43 7.544 7.544 7.655 -0.111 25066
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 38 2.081 0.474 2.053 25066
2 1 1 "Average Difference" HA 38 0.444 0.094 0.440 25066
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25066
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25066
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25066
6 1 1 "Average Difference" HN 38 0.547 0.171 0.526 25066
7 1 2 "Average Difference" N 38 2.140 0.326 2.143 25066
8 1 2 "Average Difference" HA 38 0.351 0.115 0.336 25066
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25066
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25066
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25066
12 1 2 "Average Difference" HN 38 0.547 0.178 0.525 25066
13 1 3 "Average Difference" N 38 2.329 0.224 2.349 25066
14 1 3 "Average Difference" HA 38 0.343 0.162 0.307 25066
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25066
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25066
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25066
18 1 3 "Average Difference" HN 38 0.524 0.149 0.508 25066
19 1 4 "Average Difference" N 38 2.155 0.023 2.184 25066
20 1 4 "Average Difference" HA 38 0.328 0.146 0.298 25066
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25066
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25066
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25066
24 1 4 "Average Difference" HN 38 0.539 0.162 0.521 25066
25 1 5 "Average Difference" N 38 2.295 0.151 2.321 25066
26 1 5 "Average Difference" HA 38 0.315 0.162 0.273 25066
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25066
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25066
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25066
30 1 5 "Average Difference" HN 38 0.577 0.214 0.543 25066
31 1 6 "Average Difference" N 38 2.137 0.247 2.151 25066
32 1 6 "Average Difference" HA 38 0.300 0.127 0.275 25066
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25066
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25066
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25066
36 1 6 "Average Difference" HN 38 0.536 0.198 0.505 25066
37 1 7 "Average Difference" N 38 2.386 0.119 2.415 25066
38 1 7 "Average Difference" HA 38 0.332 0.134 0.308 25066
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25066
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25066
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25066
42 1 7 "Average Difference" HN 38 0.557 0.180 0.535 25066
43 1 8 "Average Difference" N 38 2.543 0.005 2.577 25066
44 1 8 "Average Difference" HA 38 0.373 0.135 0.352 25066
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25066
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25066
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25066
48 1 8 "Average Difference" HN 38 0.545 0.153 0.530 25066
49 1 9 "Average Difference" N 38 2.398 0.161 2.424 25066
50 1 9 "Average Difference" HA 38 0.328 0.137 0.302 25066
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25066
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25066
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25066
54 1 9 "Average Difference" HN 38 0.611 0.207 0.583 25066
55 1 10 "Average Difference" N 38 2.411 0.170 2.437 25066
56 1 10 "Average Difference" HA 38 0.338 0.159 0.303 25066
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25066
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25066
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25066
60 1 10 "Average Difference" HN 38 0.564 0.186 0.540 25066
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 25066
_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 4 4 THR N N 4 113.481 113.481 112.804 0.677 25066
2 1 . 1 1 4 4 THR HA H 4 3.996 3.996 3.964 0.032 25066
3 1 . 1 1 4 4 THR H H 4 7.699 7.699 7.639 0.060 25066
4 1 . 1 1 5 5 PHE N N 5 121.531 121.531 118.650 2.881 25066
5 1 . 1 1 5 5 PHE HA H 5 4.887 4.887 5.065 -0.178 25066
6 1 . 1 1 5 5 PHE H H 5 8.034 8.034 7.435 0.599 25066
7 1 . 1 1 6 6 PRO HA H 6 4.375 4.375 4.640 -0.265 25066
8 1 . 1 1 7 7 GLU N N 7 126.390 126.390 122.032 4.358 25066
9 1 . 1 1 7 7 GLU HA H 7 3.928 3.928 3.905 0.023 25066
10 1 . 1 1 7 7 GLU H H 7 8.967 8.967 8.939 0.028 25066
11 1 . 1 1 8 8 GLN N N 8 116.282 116.282 118.158 -1.876 25066
12 1 . 1 1 8 8 GLN HA H 8 3.995 3.995 4.050 -0.056 25066
13 1 . 1 1 8 8 GLN H H 8 9.046 9.046 8.735 0.311 25066
14 1 . 1 1 9 9 THR N N 9 116.775 116.775 113.609 3.167 25066
15 1 . 1 1 9 9 THR HA H 9 4.126 4.126 4.152 -0.026 25066
16 1 . 1 1 9 9 THR H H 9 7.072 7.072 7.693 -0.621 25066
17 1 . 1 1 10 10 ILE N N 10 120.842 120.842 123.546 -2.704 25066
18 1 . 1 1 10 10 ILE HA H 10 3.276 3.276 3.699 -0.422 25066
19 1 . 1 1 10 10 ILE H H 10 7.342 7.342 8.621 -1.279 25066
20 1 . 1 1 11 11 LYS N N 11 119.216 119.216 118.512 0.704 25066
21 1 . 1 1 11 11 LYS HA H 11 3.906 3.906 3.981 -0.075 25066
22 1 . 1 1 11 11 LYS H H 11 8.586 8.586 8.404 0.182 25066
23 1 . 1 1 12 12 GLN N N 12 117.046 117.046 119.384 -2.338 25066
24 1 . 1 1 12 12 GLN HA H 12 3.973 3.973 4.127 -0.154 25066
25 1 . 1 1 12 12 GLN H H 12 7.589 7.589 7.855 -0.266 25066
26 1 . 1 1 13 13 LEU N N 13 117.234 117.234 119.624 -2.390 25066
27 1 . 1 1 13 13 LEU HA H 13 4.197 4.197 4.333 -0.136 25066
28 1 . 1 1 13 13 LEU H H 13 7.219 7.219 8.168 -0.949 25066
29 1 . 1 1 14 14 MET N N 14 120.717 120.717 118.154 2.563 25066
30 1 . 1 1 14 14 MET HA H 14 4.468 4.468 4.518 -0.050 25066
31 1 . 1 1 14 14 MET H H 14 8.777 8.777 8.954 -0.177 25066
32 1 . 1 1 15 15 ASP N N 15 119.445 119.445 120.261 -0.816 25066
33 1 . 1 1 15 15 ASP HA H 15 4.398 4.398 4.411 -0.013 25066
34 1 . 1 1 15 15 ASP H H 15 8.542 8.542 7.944 0.598 25066
35 1 . 1 1 16 16 LEU N N 16 118.590 118.590 118.182 0.408 25066
36 1 . 1 1 16 16 LEU HA H 16 4.265 4.265 4.134 0.131 25066
37 1 . 1 1 16 16 LEU H H 16 7.398 7.398 7.529 -0.131 25066
38 1 . 1 1 17 17 GLY N N 17 105.555 105.555 103.744 1.811 25066
39 1 . 1 1 17 17 GLY H H 17 8.261 8.261 7.466 0.795 25066
40 1 . 1 1 18 18 PHE N N 18 117.881 117.881 121.141 -3.260 25066
41 1 . 1 1 18 18 PHE HA H 18 4.894 4.894 4.916 -0.022 25066
42 1 . 1 1 18 18 PHE H H 18 7.298 7.298 7.409 -0.111 25066
43 1 . 1 1 19 19 PRO HA H 19 4.557 4.557 4.668 -0.111 25066
44 1 . 1 1 20 20 ARG N N 20 121.656 121.656 121.359 0.297 25066
45 1 . 1 1 20 20 ARG HA H 20 3.565 3.565 3.972 -0.407 25066
46 1 . 1 1 20 20 ARG H H 20 8.874 8.874 8.817 0.057 25066
47 1 . 1 1 21 21 ASP N N 21 114.415 114.415 117.896 -3.481 25066
48 1 . 1 1 21 21 ASP HA H 21 4.176 4.176 4.322 -0.146 25066
49 1 . 1 1 21 21 ASP H H 21 8.723 8.723 8.715 0.008 25066
50 1 . 1 1 22 22 ALA N N 22 121.426 121.426 121.337 0.089 25066
51 1 . 1 1 22 22 ALA HA H 22 3.995 3.995 4.084 -0.089 25066
52 1 . 1 1 22 22 ALA H H 22 6.960 6.960 7.794 -0.834 25066
53 1 . 1 1 23 23 VAL N N 23 119.445 119.445 119.817 -0.372 25066
54 1 . 1 1 23 23 VAL HA H 23 3.277 3.277 3.661 -0.384 25066
55 1 . 1 1 23 23 VAL H H 23 7.756 7.756 7.500 0.256 25066
56 1 . 1 1 24 24 VAL N N 24 118.736 118.736 119.774 -1.038 25066
57 1 . 1 1 24 24 VAL HA H 24 3.300 3.300 2.503 0.797 25066
58 1 . 1 1 24 24 VAL H H 24 8.520 8.520 7.540 0.980 25066
59 1 . 1 1 25 25 LYS N N 25 118.632 118.632 119.247 -0.615 25066
60 1 . 1 1 25 25 LYS HA H 25 3.815 3.815 3.883 -0.068 25066
61 1 . 1 1 25 25 LYS H H 25 7.488 7.488 8.289 -0.801 25066
62 1 . 1 1 26 26 ALA N N 26 121.697 121.697 121.757 -0.060 25066
63 1 . 1 1 26 26 ALA HA H 26 3.928 3.928 4.208 -0.280 25066
64 1 . 1 1 26 26 ALA H H 26 7.702 7.702 7.692 0.010 25066
65 1 . 1 1 27 27 LEU N N 27 117.308 117.308 119.480 -2.172 25066
66 1 . 1 1 27 27 LEU HA H 27 3.523 3.523 4.522 -0.999 25066
67 1 . 1 1 27 27 LEU H H 27 8.094 8.094 8.878 -0.784 25066
68 1 . 1 1 28 28 LYS N N 28 119.362 119.362 120.584 -1.222 25066
69 1 . 1 1 28 28 LYS HA H 28 4.129 4.129 4.272 -0.143 25066
70 1 . 1 1 28 28 LYS H H 28 8.206 8.206 8.487 -0.281 25066
71 1 . 1 1 29 29 GLN N N 29 118.652 118.652 116.811 1.841 25066
72 1 . 1 1 29 29 GLN HA H 29 4.018 4.018 4.251 -0.233 25066
73 1 . 1 1 29 29 GLN H H 29 7.701 7.701 7.746 -0.045 25066
74 1 . 1 1 30 30 THR N N 30 106.842 106.842 109.247 -2.405 25066
75 1 . 1 1 30 30 THR HA H 30 4.467 4.467 4.371 0.096 25066
76 1 . 1 1 30 30 THR H H 30 7.668 7.668 7.995 -0.327 25066
77 1 . 1 1 31 31 ASN N N 31 119.987 119.987 119.135 0.852 25066
78 1 . 1 1 31 31 ASN HA H 31 4.445 4.445 4.376 0.069 25066
79 1 . 1 1 31 31 ASN H H 31 7.824 7.824 8.135 -0.311 25066
80 1 . 1 1 32 32 GLY N N 32 103.111 103.111 104.470 -1.359 25066
81 1 . 1 1 32 32 GLY H H 32 9.195 9.195 8.889 0.306 25066
82 1 . 1 1 33 33 ASN N N 33 118.444 118.444 117.597 0.847 25066
83 1 . 1 1 33 33 ASN HA H 33 4.506 4.506 4.734 -0.228 25066
84 1 . 1 1 33 33 ASN H H 33 7.217 7.217 7.425 -0.208 25066
85 1 . 1 1 34 34 ALA N N 34 131.993 131.993 127.332 4.661 25066
86 1 . 1 1 34 34 ALA HA H 34 3.680 3.680 4.096 -0.416 25066
87 1 . 1 1 34 34 ALA H H 34 8.945 8.945 8.963 -0.018 25066
88 1 . 1 1 35 35 GLU N N 35 120.237 120.237 118.941 1.296 25066
89 1 . 1 1 35 35 GLU HA H 35 3.928 3.928 4.182 -0.254 25066
90 1 . 1 1 35 35 GLU H H 35 8.083 8.083 8.923 -0.840 25066
91 1 . 1 1 36 36 PHE N N 36 118.840 118.840 118.431 0.409 25066
92 1 . 1 1 36 36 PHE HA H 36 4.538 4.538 4.279 0.259 25066
93 1 . 1 1 36 36 PHE H H 36 8.091 8.091 8.350 -0.259 25066
94 1 . 1 1 37 37 ALA N N 37 123.283 123.283 122.505 0.778 25066
95 1 . 1 1 37 37 ALA HA H 37 3.659 3.659 4.139 -0.480 25066
96 1 . 1 1 37 37 ALA H H 37 8.317 8.317 7.984 0.333 25066
97 1 . 1 1 38 38 ALA N N 38 118.986 118.986 121.158 -2.172 25066
98 1 . 1 1 38 38 ALA HA H 38 3.568 3.568 4.103 -0.535 25066
99 1 . 1 1 38 38 ALA H H 38 7.925 7.925 8.592 -0.667 25066
100 1 . 1 1 39 39 SER N N 39 110.058 110.058 113.339 -3.281 25066
101 1 . 1 1 39 39 SER HA H 39 4.188 4.188 4.094 0.095 25066
102 1 . 1 1 39 39 SER H H 39 7.174 7.174 7.669 -0.495 25066
103 1 . 1 1 40 40 LEU N N 40 120.821 120.821 120.483 0.338 25066
104 1 . 1 1 40 40 LEU HA H 40 3.928 3.928 4.381 -0.453 25066
105 1 . 1 1 40 40 LEU H H 40 7.489 7.489 7.484 0.005 25066
106 1 . 1 1 41 41 LEU N N 41 121.218 121.218 120.197 1.021 25066
107 1 . 1 1 41 41 LEU HA H 41 3.389 3.389 4.077 -0.689 25066
108 1 . 1 1 41 41 LEU H H 41 7.836 7.836 8.563 -0.727 25066
109 1 . 1 1 42 42 PHE N N 42 115.079 115.079 119.834 -4.755 25066
110 1 . 1 1 42 42 PHE HA H 42 4.506 4.506 4.113 0.393 25066
111 1 . 1 1 42 42 PHE H H 42 7.690 7.690 8.488 -0.798 25066
112 1 . 1 1 43 43 GLN N N 43 118.402 118.402 118.301 0.101 25066
113 1 . 1 1 43 43 GLN HA H 43 4.308 4.308 4.098 0.210 25066
114 1 . 1 1 43 43 GLN H H 43 7.544 7.544 7.974 -0.430 25066
stop_
save_