data_17707
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17707
_Entry.PDB_ID 2LEC
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 17707
_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 36 36 SER N N 2 116.365 116.365 116.276 0.089 17707
2 1 1 . 1 1 36 36 SER HA H 2 4.398 4.398 4.746 -0.348 17707
3 1 1 . 1 1 36 36 SER CA C 2 55.706 55.706 57.530 -1.824 17707
4 1 1 . 1 1 36 36 SER CB C 2 61.260 61.260 64.588 -3.328 17707
5 1 1 . 1 1 36 36 SER H H 2 8.112 8.112 8.357 -0.245 17707
6 1 1 . 1 1 37 37 TYR N N 3 121.885 121.885 121.764 0.121 17707
7 1 1 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.269 0.365 17707
8 1 1 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.585 -2.402 17707
9 1 1 . 1 1 37 37 TYR H H 3 8.155 8.155 8.737 -0.582 17707
10 1 1 . 1 1 38 38 GLY N N 4 109.771 109.771 108.268 1.503 17707
11 1 1 . 1 1 38 38 GLY H H 4 8.332 8.332 8.438 -0.106 17707
12 1 1 . 1 1 39 39 ARG N N 5 121.087 121.087 120.728 0.359 17707
13 1 1 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.531 0.010 17707
14 1 1 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.634 -3.439 17707
15 1 1 . 1 1 39 39 ARG H H 5 8.224 8.224 8.126 0.098 17707
16 1 1 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.772 -0.533 17707
17 1 1 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.078 -3.684 17707
18 1 1 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.759 -0.375 17707
19 1 1 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.738 -3.166 17707
20 1 1 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.727 -0.454 17707
21 1 1 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.608 -2.477 17707
22 1 1 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.916 -4.819 17707
23 1 1 . 1 1 43 43 ASP N N 9 119.118 119.118 116.110 3.008 17707
24 1 1 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.816 -0.304 17707
25 1 1 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.588 -2.047 17707
26 1 1 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.777 -4.278 17707
27 1 1 . 1 1 43 43 ASP H H 9 8.425 8.425 8.479 -0.054 17707
28 1 1 . 1 1 44 44 VAL N N 10 118.278 118.278 117.185 1.093 17707
29 1 1 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.878 0.328 17707
30 1 1 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.688 -5.525 17707
31 1 1 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.309 -2.311 17707
32 1 1 . 1 1 44 44 VAL H H 10 7.882 7.882 8.111 -0.229 17707
33 1 1 . 1 1 45 45 GLU N N 11 123.222 123.222 119.936 3.286 17707
34 1 1 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.374 -0.326 17707
35 1 1 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.882 -1.035 17707
36 1 1 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.597 -3.150 17707
37 1 1 . 1 1 45 45 GLU H H 11 8.328 8.328 8.503 -0.175 17707
38 1 1 . 1 1 46 46 GLY N N 12 108.993 108.993 108.069 0.924 17707
39 1 1 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.498 -2.799 17707
40 1 1 . 1 1 46 46 GLY H H 12 8.361 8.361 8.318 0.043 17707
41 1 1 . 1 1 47 47 MET N N 13 118.074 118.074 117.155 0.919 17707
42 1 1 . 1 1 47 47 MET HA H 13 4.584 4.584 5.017 -0.433 17707
43 1 1 . 1 1 47 47 MET CB C 13 31.447 31.447 35.319 -3.872 17707
44 1 1 . 1 1 47 47 MET H H 13 7.493 7.493 7.316 0.177 17707
45 1 1 . 1 1 48 48 THR N N 14 118.968 118.968 114.239 4.729 17707
46 1 1 . 1 1 48 48 THR HA H 14 4.534 4.534 4.249 0.285 17707
47 1 1 . 1 1 48 48 THR CA C 14 60.656 60.656 64.452 -3.796 17707
48 1 1 . 1 1 48 48 THR CB C 14 67.544 67.544 69.210 -1.666 17707
49 1 1 . 1 1 48 48 THR H H 14 8.993 8.993 8.476 0.517 17707
50 1 1 . 1 1 49 49 SER N N 15 123.365 123.365 117.172 6.193 17707
51 1 1 . 1 1 49 49 SER HA H 15 5.017 5.017 4.141 0.876 17707
52 1 1 . 1 1 49 49 SER CB C 15 61.787 61.787 61.952 -0.165 17707
53 1 1 . 1 1 49 49 SER H H 15 9.097 9.097 7.937 1.160 17707
54 1 1 . 1 1 50 50 LEU N N 16 124.488 124.488 122.085 2.403 17707
55 1 1 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.121 0.887 17707
56 1 1 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.949 -5.590 17707
57 1 1 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.062 -1.960 17707
58 1 1 . 1 1 50 50 LEU H H 16 9.495 9.495 7.594 1.901 17707
59 1 1 . 1 1 51 51 LYS N N 17 123.276 123.276 120.850 2.426 17707
60 1 1 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.187 -0.306 17707
61 1 1 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.186 -1.761 17707
62 1 1 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.304 -3.973 17707
63 1 1 . 1 1 51 51 LYS H H 17 9.239 9.239 8.623 0.616 17707
64 1 1 . 1 1 52 52 VAL N N 18 130.086 130.086 120.462 9.624 17707
65 1 1 . 1 1 52 52 VAL HA H 18 4.774 4.774 5.123 -0.349 17707
66 1 1 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.471 -1.246 17707
67 1 1 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.395 -4.473 17707
68 1 1 . 1 1 52 52 VAL H H 18 9.136 9.136 7.751 1.385 17707
69 1 1 . 1 1 53 53 ASP N N 19 125.621 125.621 123.575 2.046 17707
70 1 1 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.036 0.142 17707
71 1 1 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.471 -2.857 17707
72 1 1 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.969 -2.422 17707
73 1 1 . 1 1 53 53 ASP H H 19 9.312 9.312 8.922 0.390 17707
74 1 1 . 1 1 54 54 ASN N N 20 112.496 112.496 115.025 -2.529 17707
75 1 1 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.438 0.039 17707
76 1 1 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.882 -2.866 17707
77 1 1 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.605 -2.986 17707
78 1 1 . 1 1 54 54 ASN H H 20 8.438 8.438 8.679 -0.241 17707
79 1 1 . 1 1 55 55 LEU N N 21 114.844 114.844 119.181 -4.337 17707
80 1 1 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.202 0.161 17707
81 1 1 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.630 -4.623 17707
82 1 1 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.009 0.007 17707
83 1 1 . 1 1 55 55 LEU H H 21 7.477 7.477 7.801 -0.324 17707
84 1 1 . 1 1 56 56 THR N N 22 111.571 111.571 119.658 -8.087 17707
85 1 1 . 1 1 56 56 THR HA H 22 4.361 4.361 4.386 -0.025 17707
86 1 1 . 1 1 56 56 THR CA C 22 58.212 58.212 62.659 -4.447 17707
87 1 1 . 1 1 56 56 THR CB C 22 68.233 68.233 69.798 -1.565 17707
88 1 1 . 1 1 56 56 THR H H 22 8.341 8.341 8.007 0.334 17707
89 1 1 . 1 1 57 57 TYR N N 23 122.008 122.008 119.871 2.137 17707
90 1 1 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.395 -0.085 17707
91 1 1 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.656 -3.080 17707
92 1 1 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.515 -3.330 17707
93 1 1 . 1 1 57 57 TYR H H 23 8.587 8.587 8.885 -0.298 17707
94 1 1 . 1 1 58 58 ARG N N 24 114.767 114.767 116.895 -2.128 17707
95 1 1 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.598 -0.335 17707
96 1 1 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.551 -2.455 17707
97 1 1 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.373 -2.969 17707
98 1 1 . 1 1 58 58 ARG H H 24 7.262 7.262 7.846 -0.584 17707
99 1 1 . 1 1 59 59 THR N N 25 119.267 119.267 116.970 2.297 17707
100 1 1 . 1 1 59 59 THR HA H 25 4.015 4.015 4.667 -0.652 17707
101 1 1 . 1 1 59 59 THR CA C 25 62.247 62.247 61.049 1.198 17707
102 1 1 . 1 1 59 59 THR CB C 25 65.785 65.785 70.442 -4.657 17707
103 1 1 . 1 1 59 59 THR H H 25 7.348 7.348 7.710 -0.362 17707
104 1 1 . 1 1 60 60 SER N N 26 124.341 124.341 114.766 9.575 17707
105 1 1 . 1 1 60 60 SER HA H 26 4.861 4.861 4.940 -0.079 17707
106 1 1 . 1 1 60 60 SER CA C 26 52.864 52.864 54.872 -2.008 17707
107 1 1 . 1 1 60 60 SER CB C 26 61.783 61.783 65.135 -3.352 17707
108 1 1 . 1 1 60 60 SER H H 26 8.319 8.319 8.171 0.148 17707
109 1 1 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.335 -0.325 17707
110 1 1 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.179 -2.096 17707
111 1 1 . 1 1 62 62 ASP N N 28 115.615 115.615 117.878 -2.263 17707
112 1 1 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.464 -0.088 17707
113 1 1 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.765 -3.084 17707
114 1 1 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.911 -2.659 17707
115 1 1 . 1 1 62 62 ASP H H 28 8.020 8.020 8.599 -0.579 17707
116 1 1 . 1 1 63 63 THR N N 29 118.079 118.079 117.292 0.787 17707
117 1 1 . 1 1 63 63 THR HA H 29 3.902 3.902 4.148 -0.246 17707
118 1 1 . 1 1 63 63 THR CA C 29 63.729 63.729 66.511 -2.782 17707
119 1 1 . 1 1 63 63 THR CB C 29 65.634 65.634 69.060 -3.426 17707
120 1 1 . 1 1 63 63 THR H H 29 7.766 7.766 7.347 0.419 17707
121 1 1 . 1 1 64 64 LEU N N 30 118.985 118.985 120.436 -1.451 17707
122 1 1 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.274 -0.221 17707
123 1 1 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.555 -2.577 17707
124 1 1 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.918 -1.087 17707
125 1 1 . 1 1 64 64 LEU H H 30 7.495 7.495 8.345 -0.850 17707
126 1 1 . 1 1 65 65 ARG N N 31 119.245 119.245 120.321 -1.076 17707
127 1 1 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.210 -0.566 17707
128 1 1 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.373 -0.017 17707
129 1 1 . 1 1 65 65 ARG H H 31 8.583 8.583 7.863 0.720 17707
130 1 1 . 1 1 66 66 ARG N N 32 115.695 115.695 119.116 -3.421 17707
131 1 1 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.181 -0.109 17707
132 1 1 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.955 -2.280 17707
133 1 1 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.616 -2.058 17707
134 1 1 . 1 1 66 66 ARG H H 32 7.707 7.707 7.711 -0.004 17707
135 1 1 . 1 1 67 67 VAL N N 33 115.500 115.500 118.877 -3.377 17707
136 1 1 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.900 -0.008 17707
137 1 1 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.403 -2.747 17707
138 1 1 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.307 -2.751 17707
139 1 1 . 1 1 67 67 VAL H H 33 7.739 7.739 8.161 -0.422 17707
140 1 1 . 1 1 68 68 PHE N N 34 116.290 116.290 116.876 -0.586 17707
141 1 1 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.992 -0.494 17707
142 1 1 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.533 0.495 17707
143 1 1 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.667 -4.475 17707
144 1 1 . 1 1 68 68 PHE H H 34 8.253 8.253 7.658 0.595 17707
145 1 1 . 1 1 69 69 GLU N N 35 119.333 119.333 121.260 -1.927 17707
146 1 1 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.145 0.890 17707
147 1 1 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.579 -4.597 17707
148 1 1 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.570 -3.396 17707
149 1 1 . 1 1 69 69 GLU H H 35 8.583 8.583 8.772 -0.189 17707
150 1 1 . 1 1 70 70 LYS N N 36 118.341 118.341 118.055 0.286 17707
151 1 1 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.137 -0.245 17707
152 1 1 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.272 -2.813 17707
153 1 1 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.692 -2.468 17707
154 1 1 . 1 1 70 70 LYS H H 36 6.871 6.871 8.174 -1.303 17707
155 1 1 . 1 1 71 71 TYR N N 37 115.014 115.014 118.805 -3.791 17707
156 1 1 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.365 -0.058 17707
157 1 1 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.071 -3.837 17707
158 1 1 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.101 -2.466 17707
159 1 1 . 1 1 71 71 TYR H H 37 7.611 7.611 7.683 -0.072 17707
160 1 1 . 1 1 72 72 GLY N N 38 104.741 104.741 105.874 -1.133 17707
161 1 1 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.366 -3.737 17707
162 1 1 . 1 1 72 72 GLY H H 38 7.356 7.356 7.907 -0.551 17707
163 1 1 . 1 1 73 73 ARG N N 39 115.783 115.783 119.105 -3.322 17707
164 1 1 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.557 -0.189 17707
165 1 1 . 1 1 73 73 ARG CA C 39 54.703 54.703 54.879 -0.176 17707
166 1 1 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.905 -5.053 17707
167 1 1 . 1 1 73 73 ARG H H 39 7.990 7.990 7.979 0.011 17707
168 1 1 . 1 1 74 74 VAL N N 40 130.246 130.246 118.606 11.640 17707
169 1 1 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.770 -0.071 17707
170 1 1 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.386 -1.903 17707
171 1 1 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.568 -4.269 17707
172 1 1 . 1 1 74 74 VAL H H 40 8.846 8.846 8.306 0.540 17707
173 1 1 . 1 1 75 75 GLY N N 41 114.952 114.952 114.082 0.870 17707
174 1 1 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.963 -2.058 17707
175 1 1 . 1 1 75 75 GLY H H 41 8.943 8.943 8.555 0.388 17707
176 1 1 . 1 1 76 76 ASP N N 42 115.344 115.344 118.072 -2.728 17707
177 1 1 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.843 -0.131 17707
178 1 1 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.566 -1.052 17707
179 1 1 . 1 1 76 76 ASP H H 42 7.224 7.224 7.492 -0.268 17707
180 1 1 . 1 1 77 77 VAL N N 43 122.703 122.703 121.673 1.030 17707
181 1 1 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.268 0.455 17707
182 1 1 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.972 -1.625 17707
183 1 1 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.213 -0.631 17707
184 1 1 . 1 1 77 77 VAL H H 43 7.551 7.551 8.275 -0.724 17707
185 1 1 . 1 1 78 78 TYR N N 44 125.956 125.956 128.678 -2.722 17707
186 1 1 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.585 0.386 17707
187 1 1 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.145 -3.839 17707
188 1 1 . 1 1 78 78 TYR H H 44 9.023 9.023 8.097 0.926 17707
189 1 1 . 1 1 79 79 ILE N N 45 129.856 129.856 121.178 8.678 17707
190 1 1 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.259 -0.003 17707
191 1 1 . 1 1 79 79 ILE CA C 45 55.398 55.398 56.919 -1.521 17707
192 1 1 . 1 1 79 79 ILE CB C 45 36.314 36.314 40.507 -4.193 17707
193 1 1 . 1 1 79 79 ILE H H 45 8.231 8.231 7.229 1.002 17707
194 1 1 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.273 -0.369 17707
195 1 1 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.633 -3.993 17707
196 1 1 . 1 1 81 81 ARG H H 47 8.593 8.593 8.217 0.376 17707
197 1 1 . 1 1 82 82 ASP N N 48 125.712 125.712 113.801 11.911 17707
198 1 1 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.141 0.241 17707
199 1 1 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.891 -3.432 17707
200 1 1 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.788 1.520 17707
201 1 1 . 1 1 82 82 ASP H H 48 8.948 8.948 8.664 0.284 17707
202 1 1 . 1 1 83 83 ARG N N 49 125.207 125.207 116.765 8.442 17707
203 1 1 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.825 -0.129 17707
204 1 1 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.618 -3.004 17707
205 1 1 . 1 1 83 83 ARG H H 49 8.688 8.688 8.629 0.059 17707
206 1 1 . 1 1 84 84 TYR N N 50 117.911 117.911 111.345 6.566 17707
207 1 1 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.842 -0.248 17707
208 1 1 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.908 -0.142 17707
209 1 1 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.430 -3.243 17707
210 1 1 . 1 1 84 84 TYR H H 50 8.449 8.449 7.954 0.495 17707
211 1 1 . 1 1 85 85 THR N N 51 110.450 110.450 110.859 -0.409 17707
212 1 1 . 1 1 85 85 THR HA H 51 4.230 4.230 4.300 -0.070 17707
213 1 1 . 1 1 85 85 THR CA C 51 59.620 59.620 61.512 -1.892 17707
214 1 1 . 1 1 85 85 THR CB C 51 67.745 67.745 71.485 -3.740 17707
215 1 1 . 1 1 85 85 THR H H 51 9.141 9.141 7.250 1.891 17707
216 1 1 . 1 1 86 86 LYS N N 52 113.570 113.570 119.184 -5.614 17707
217 1 1 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.863 0.092 17707
218 1 1 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.979 -3.551 17707
219 1 1 . 1 1 86 86 LYS H H 52 7.821 7.821 8.036 -0.215 17707
220 1 1 . 1 1 87 87 GLU N N 53 118.364 118.364 117.723 0.641 17707
221 1 1 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.117 0.263 17707
222 1 1 . 1 1 87 87 GLU CA C 53 52.641 52.641 57.707 -5.066 17707
223 1 1 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.371 -0.530 17707
224 1 1 . 1 1 87 87 GLU H H 53 7.714 7.714 7.669 0.045 17707
225 1 1 . 1 1 88 88 SER N N 54 115.692 115.692 116.423 -0.731 17707
226 1 1 . 1 1 88 88 SER CB C 54 61.369 61.369 63.953 -2.584 17707
227 1 1 . 1 1 88 88 SER H H 54 8.705 8.705 8.146 0.559 17707
228 1 1 . 1 1 89 89 ARG N N 55 122.170 122.170 117.000 5.170 17707
229 1 1 . 1 1 89 89 ARG HA H 55 4.317 4.317 3.795 0.522 17707
230 1 1 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.696 -2.902 17707
231 1 1 . 1 1 89 89 ARG H H 55 7.934 7.934 8.263 -0.329 17707
232 1 1 . 1 1 90 90 GLY N N 56 106.948 106.948 105.919 1.029 17707
233 1 1 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.589 -2.314 17707
234 1 1 . 1 1 90 90 GLY H H 56 8.557 8.557 8.294 0.263 17707
235 1 1 . 1 1 91 91 PHE N N 57 113.487 113.487 113.265 0.222 17707
236 1 1 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.817 0.775 17707
237 1 1 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.135 -3.224 17707
238 1 1 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.835 -1.057 17707
239 1 1 . 1 1 91 91 PHE H H 57 6.936 6.936 7.247 -0.311 17707
240 1 1 . 1 1 92 92 ALA N N 58 117.841 117.841 121.625 -3.784 17707
241 1 1 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.381 0.367 17707
242 1 1 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.337 -4.802 17707
243 1 1 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.854 2.744 17707
244 1 1 . 1 1 92 92 ALA H H 58 8.848 8.848 8.323 0.525 17707
245 1 1 . 1 1 93 93 PHE N N 59 115.981 115.981 127.901 -11.920 17707
246 1 1 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.830 0.843 17707
247 1 1 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.002 -4.140 17707
248 1 1 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.393 -1.495 17707
249 1 1 . 1 1 93 93 PHE H H 59 8.824 8.824 8.251 0.573 17707
250 1 1 . 1 1 94 94 VAL N N 60 123.120 123.120 128.025 -4.905 17707
251 1 1 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.165 0.139 17707
252 1 1 . 1 1 94 94 VAL CA C 60 58.931 58.931 61.923 -2.992 17707
253 1 1 . 1 1 94 94 VAL CB C 60 31.429 31.429 33.273 -1.844 17707
254 1 1 . 1 1 94 94 VAL H H 60 8.581 8.581 7.933 0.648 17707
255 1 1 . 1 1 95 95 ARG N N 61 123.954 123.954 121.947 2.007 17707
256 1 1 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.174 0.378 17707
257 1 1 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.206 -3.691 17707
258 1 1 . 1 1 95 95 ARG H H 61 8.727 8.727 8.920 -0.193 17707
259 1 1 . 1 1 96 96 PHE N N 62 121.921 121.921 122.573 -0.652 17707
260 1 1 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.620 0.283 17707
261 1 1 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.798 -1.232 17707
262 1 1 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.834 -2.949 17707
263 1 1 . 1 1 96 96 PHE H H 62 9.127 9.127 8.263 0.864 17707
264 1 1 . 1 1 97 97 HIS N N 63 120.064 120.064 114.997 5.067 17707
265 1 1 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.828 -0.490 17707
266 1 1 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.193 1.069 17707
267 1 1 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.844 -4.556 17707
268 1 1 . 1 1 97 97 HIS H H 63 7.982 7.982 8.976 -0.994 17707
269 1 1 . 1 1 98 98 ASP N N 64 119.665 119.665 122.386 -2.721 17707
270 1 1 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.815 0.244 17707
271 1 1 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.297 -5.102 17707
272 1 1 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.708 -0.610 17707
273 1 1 . 1 1 98 98 ASP H H 64 9.096 9.096 8.497 0.599 17707
274 1 1 . 1 1 99 99 LYS N N 65 127.804 127.804 127.620 0.184 17707
275 1 1 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.918 -0.073 17707
276 1 1 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.503 -2.107 17707
277 1 1 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.396 -2.150 17707
278 1 1 . 1 1 99 99 LYS H H 65 8.784 8.784 8.874 -0.090 17707
279 1 1 . 1 1 100 100 ARG N N 66 118.451 118.451 117.506 0.945 17707
280 1 1 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.127 -0.057 17707
281 1 1 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.106 -2.967 17707
282 1 1 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.667 -1.901 17707
283 1 1 . 1 1 100 100 ARG H H 66 8.600 8.600 8.739 -0.139 17707
284 1 1 . 1 1 101 101 ASP N N 67 119.627 119.627 119.240 0.387 17707
285 1 1 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.735 -0.541 17707
286 1 1 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.796 -2.563 17707
287 1 1 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.505 -2.509 17707
288 1 1 . 1 1 101 101 ASP H H 67 7.089 7.089 8.499 -1.410 17707
289 1 1 . 1 1 102 102 ALA N N 68 119.421 119.421 123.774 -4.353 17707
290 1 1 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.655 -0.691 17707
291 1 1 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.002 -3.299 17707
292 1 1 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.801 -3.133 17707
293 1 1 . 1 1 102 102 ALA H H 68 6.832 6.832 7.950 -1.118 17707
294 1 1 . 1 1 103 103 GLU N N 69 117.506 117.506 117.626 -0.120 17707
295 1 1 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.953 -0.295 17707
296 1 1 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.831 -1.669 17707
297 1 1 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.392 -2.967 17707
298 1 1 . 1 1 103 103 GLU H H 69 8.011 8.011 8.619 -0.608 17707
299 1 1 . 1 1 104 104 ASP N N 70 120.487 120.487 121.206 -0.719 17707
300 1 1 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.434 -0.168 17707
301 1 1 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.756 -2.268 17707
302 1 1 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.946 -3.483 17707
303 1 1 . 1 1 104 104 ASP H H 70 8.020 8.020 7.724 0.296 17707
304 1 1 . 1 1 105 105 ALA N N 71 122.179 122.179 120.695 1.484 17707
305 1 1 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.158 -0.383 17707
306 1 1 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.494 -2.749 17707
307 1 1 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.261 -1.052 17707
308 1 1 . 1 1 105 105 ALA H H 71 8.118 8.118 7.439 0.679 17707
309 1 1 . 1 1 106 106 MET N N 72 118.380 118.380 116.990 1.390 17707
310 1 1 . 1 1 106 106 MET HA H 72 3.655 3.655 4.126 -0.471 17707
311 1 1 . 1 1 106 106 MET CA C 72 57.188 57.188 58.552 -1.364 17707
312 1 1 . 1 1 106 106 MET CB C 72 30.409 30.409 32.849 -2.440 17707
313 1 1 . 1 1 106 106 MET H H 72 8.279 8.279 7.555 0.724 17707
314 1 1 . 1 1 107 107 ASP N N 73 117.030 117.030 118.751 -1.721 17707
315 1 1 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.558 -0.231 17707
316 1 1 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.608 -1.548 17707
317 1 1 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.912 -2.819 17707
318 1 1 . 1 1 107 107 ASP H H 73 7.749 7.749 7.910 -0.161 17707
319 1 1 . 1 1 108 108 ALA N N 74 117.995 117.995 119.335 -1.340 17707
320 1 1 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.630 -0.505 17707
321 1 1 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.772 -1.438 17707
322 1 1 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.395 -2.736 17707
323 1 1 . 1 1 108 108 ALA H H 74 7.347 7.347 7.481 -0.134 17707
324 1 1 . 1 1 109 109 MET N N 75 112.202 112.202 116.612 -4.410 17707
325 1 1 . 1 1 109 109 MET HA H 75 4.742 4.742 4.542 0.200 17707
326 1 1 . 1 1 109 109 MET CA C 75 50.546 50.546 55.767 -5.221 17707
327 1 1 . 1 1 109 109 MET H H 75 8.057 8.057 7.673 0.384 17707
328 1 1 . 1 1 110 110 ASP N N 76 120.043 120.043 120.358 -0.315 17707
329 1 1 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.422 -0.036 17707
330 1 1 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.367 -1.422 17707
331 1 1 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.207 -2.603 17707
332 1 1 . 1 1 110 110 ASP H H 76 7.825 7.825 7.639 0.186 17707
333 1 1 . 1 1 111 111 GLY N N 77 117.743 117.743 111.800 5.943 17707
334 1 1 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.739 -2.723 17707
335 1 1 . 1 1 111 111 GLY H H 77 8.636 8.636 8.197 0.439 17707
336 1 1 . 1 1 112 112 ALA N N 78 123.755 123.755 123.090 0.665 17707
337 1 1 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.437 -0.118 17707
338 1 1 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.511 -2.475 17707
339 1 1 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.534 -1.086 17707
340 1 1 . 1 1 112 112 ALA H H 78 7.909 7.909 7.778 0.131 17707
341 1 1 . 1 1 113 113 VAL N N 79 118.703 118.703 119.846 -1.143 17707
342 1 1 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.973 0.640 17707
343 1 1 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.560 -2.989 17707
344 1 1 . 1 1 113 113 VAL H H 79 8.083 8.083 7.496 0.587 17707
345 1 1 . 1 1 114 114 LEU N N 80 129.473 129.473 117.071 12.402 17707
346 1 1 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.740 -0.197 17707
347 1 1 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.056 -3.114 17707
348 1 1 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.022 -0.437 17707
349 1 1 . 1 1 114 114 LEU H H 80 8.895 8.895 8.034 0.861 17707
350 1 1 . 1 1 115 115 ASP N N 81 129.660 129.660 119.080 10.580 17707
351 1 1 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.922 -0.693 17707
352 1 1 . 1 1 115 115 ASP CA C 81 52.252 52.252 55.350 -3.098 17707
353 1 1 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.414 -5.142 17707
354 1 1 . 1 1 115 115 ASP H H 81 9.428 9.428 8.492 0.936 17707
355 1 1 . 1 1 116 116 GLY N N 82 100.557 100.557 108.562 -8.005 17707
356 1 1 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.923 -2.042 17707
357 1 1 . 1 1 116 116 GLY H H 82 7.978 7.978 7.931 0.047 17707
358 1 1 . 1 1 117 117 ARG N N 83 120.104 120.104 120.250 -0.146 17707
359 1 1 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.492 0.058 17707
360 1 1 . 1 1 117 117 ARG CA C 83 51.106 51.106 56.007 -4.901 17707
361 1 1 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.535 -0.890 17707
362 1 1 . 1 1 117 117 ARG H H 83 7.493 7.493 7.784 -0.291 17707
363 1 1 . 1 1 118 118 GLU N N 84 121.206 121.206 120.963 0.243 17707
364 1 1 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.584 -0.281 17707
365 1 1 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.400 -2.971 17707
366 1 1 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.793 -4.667 17707
367 1 1 . 1 1 118 118 GLU H H 84 8.352 8.352 8.503 -0.151 17707
368 1 1 . 1 1 119 119 LEU N N 85 127.970 127.970 118.240 9.730 17707
369 1 1 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.819 -0.257 17707
370 1 1 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.281 -0.757 17707
371 1 1 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.336 -4.525 17707
372 1 1 . 1 1 119 119 LEU H H 85 9.349 9.349 7.785 1.564 17707
373 1 1 . 1 1 120 120 ARG N N 86 121.001 121.001 121.265 -0.264 17707
374 1 1 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.011 0.163 17707
375 1 1 . 1 1 120 120 ARG CA C 86 51.595 51.595 55.019 -3.424 17707
376 1 1 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.790 -3.098 17707
377 1 1 . 1 1 120 120 ARG H H 86 7.512 7.512 8.343 -0.831 17707
378 1 1 . 1 1 121 121 VAL N N 87 125.999 125.999 122.862 3.137 17707
379 1 1 . 1 1 121 121 VAL HA H 87 4.938 4.938 5.088 -0.150 17707
380 1 1 . 1 1 121 121 VAL CA C 87 58.766 58.766 59.723 -0.957 17707
381 1 1 . 1 1 121 121 VAL H H 87 9.437 9.437 8.128 1.309 17707
382 1 1 . 1 1 122 122 GLN N N 88 121.684 121.684 125.682 -3.998 17707
383 1 1 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.626 0.343 17707
384 1 1 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.093 -3.193 17707
385 1 1 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.544 -2.387 17707
386 1 1 . 1 1 122 122 GLN H H 88 8.301 8.301 8.874 -0.573 17707
387 1 1 . 1 1 123 123 MET N N 89 121.937 121.937 119.665 2.272 17707
388 1 1 . 1 1 123 123 MET HA H 89 4.529 4.529 4.393 0.136 17707
389 1 1 . 1 1 123 123 MET CA C 89 53.328 53.328 55.086 -1.758 17707
390 1 1 . 1 1 123 123 MET CB C 89 28.750 28.750 32.772 -4.022 17707
391 1 1 . 1 1 123 123 MET H H 89 8.714 8.714 8.806 -0.092 17707
392 1 1 . 1 1 124 124 ALA N N 90 126.984 126.984 125.664 1.320 17707
393 1 1 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.466 -0.049 17707
394 1 1 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.247 -2.444 17707
395 1 1 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.783 -4.531 17707
396 1 1 . 1 1 124 124 ALA H H 90 8.437 8.437 8.290 0.147 17707
397 1 1 . 1 1 125 125 ARG H H 91 9.886 9.886 8.807 1.079 17707
398 1 1 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.382 -2.646 17707
399 1 1 . 1 1 128 128 ARG N N 94 120.921 120.921 121.109 -0.188 17707
400 1 1 . 1 1 128 128 ARG H H 94 8.245 8.245 8.347 -0.102 17707
401 1 1 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.675 -0.082 17707
402 1 1 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.678 -2.689 17707
403 1 1 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.382 -0.065 17707
404 1 1 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.961 -3.566 17707
405 1 1 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.288 -3.027 17707
406 1 1 . 1 1 131 131 ASP N N 97 119.855 119.855 116.481 3.374 17707
407 1 1 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.731 -0.239 17707
408 1 1 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.073 -2.658 17707
409 1 1 . 1 1 131 131 ASP CB C 97 38.553 38.553 41.979 -3.426 17707
410 1 1 . 1 1 131 131 ASP H H 97 8.196 8.196 7.879 0.317 17707
411 1 1 . 1 1 132 132 SER N N 98 116.150 116.150 117.153 -1.003 17707
412 1 1 . 1 1 132 132 SER HA H 98 4.286 4.286 4.693 -0.407 17707
413 1 1 . 1 1 132 132 SER CA C 98 55.729 55.729 58.031 -2.302 17707
414 1 1 . 1 1 132 132 SER CB C 98 61.088 61.088 64.608 -3.520 17707
415 1 1 . 1 1 132 132 SER H H 98 8.070 8.070 8.440 -0.370 17707
416 1 1 . 1 1 133 133 HIS N N 99 119.771 119.771 117.340 2.431 17707
417 1 1 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.089 -4.022 17707
418 1 1 . 1 1 133 133 HIS H H 99 8.322 8.322 7.955 0.367 17707
419 1 2 . 1 1 36 36 SER N N 2 116.365 116.365 114.475 1.890 17707
420 1 2 . 1 1 36 36 SER HA H 2 4.398 4.398 4.604 -0.206 17707
421 1 2 . 1 1 36 36 SER CA C 2 55.706 55.706 57.307 -1.601 17707
422 1 2 . 1 1 36 36 SER CB C 2 61.260 61.260 64.371 -3.111 17707
423 1 2 . 1 1 36 36 SER H H 2 8.112 8.112 8.315 -0.203 17707
424 1 2 . 1 1 37 37 TYR N N 3 121.885 121.885 121.918 -0.033 17707
425 1 2 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.259 0.375 17707
426 1 2 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.431 -2.248 17707
427 1 2 . 1 1 37 37 TYR H H 3 8.155 8.155 8.693 -0.538 17707
428 1 2 . 1 1 38 38 GLY N N 4 109.771 109.771 107.997 1.774 17707
429 1 2 . 1 1 38 38 GLY H H 4 8.332 8.332 8.397 -0.065 17707
430 1 2 . 1 1 39 39 ARG N N 5 121.087 121.087 119.751 1.336 17707
431 1 2 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.657 -0.116 17707
432 1 2 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.112 -3.917 17707
433 1 2 . 1 1 39 39 ARG H H 5 8.224 8.224 7.914 0.310 17707
434 1 2 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.846 -0.607 17707
435 1 2 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.563 -3.169 17707
436 1 2 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.742 -0.358 17707
437 1 2 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.908 -3.336 17707
438 1 2 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.693 -0.420 17707
439 1 2 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.599 -2.468 17707
440 1 2 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.394 -4.297 17707
441 1 2 . 1 1 43 43 ASP N N 9 119.118 119.118 115.737 3.381 17707
442 1 2 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.703 -0.191 17707
443 1 2 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.596 -2.055 17707
444 1 2 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.901 -3.402 17707
445 1 2 . 1 1 43 43 ASP H H 9 8.425 8.425 8.327 0.098 17707
446 1 2 . 1 1 44 44 VAL N N 10 118.278 118.278 117.566 0.712 17707
447 1 2 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.927 0.279 17707
448 1 2 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.672 -5.509 17707
449 1 2 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.493 -2.495 17707
450 1 2 . 1 1 44 44 VAL H H 10 7.882 7.882 8.089 -0.207 17707
451 1 2 . 1 1 45 45 GLU N N 11 123.222 123.222 120.500 2.722 17707
452 1 2 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.274 -0.226 17707
453 1 2 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.263 -1.416 17707
454 1 2 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.320 -2.873 17707
455 1 2 . 1 1 45 45 GLU H H 11 8.328 8.328 8.664 -0.336 17707
456 1 2 . 1 1 46 46 GLY N N 12 108.993 108.993 107.096 1.897 17707
457 1 2 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.368 -2.669 17707
458 1 2 . 1 1 46 46 GLY H H 12 8.361 8.361 8.169 0.192 17707
459 1 2 . 1 1 47 47 MET N N 13 118.074 118.074 117.607 0.467 17707
460 1 2 . 1 1 47 47 MET HA H 13 4.584 4.584 4.937 -0.353 17707
461 1 2 . 1 1 47 47 MET CB C 13 31.447 31.447 34.418 -2.971 17707
462 1 2 . 1 1 47 47 MET H H 13 7.493 7.493 7.515 -0.022 17707
463 1 2 . 1 1 48 48 THR N N 14 118.968 118.968 116.478 2.490 17707
464 1 2 . 1 1 48 48 THR HA H 14 4.534 4.534 4.108 0.426 17707
465 1 2 . 1 1 48 48 THR CA C 14 60.656 60.656 65.767 -5.111 17707
466 1 2 . 1 1 48 48 THR CB C 14 67.544 67.544 68.742 -1.198 17707
467 1 2 . 1 1 48 48 THR H H 14 8.993 8.993 8.682 0.311 17707
468 1 2 . 1 1 49 49 SER N N 15 123.365 123.365 112.985 10.380 17707
469 1 2 . 1 1 49 49 SER HA H 15 5.017 5.017 4.132 0.885 17707
470 1 2 . 1 1 49 49 SER CB C 15 61.787 61.787 61.790 -0.003 17707
471 1 2 . 1 1 49 49 SER H H 15 9.097 9.097 8.023 1.074 17707
472 1 2 . 1 1 50 50 LEU N N 16 124.488 124.488 120.777 3.711 17707
473 1 2 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.144 0.864 17707
474 1 2 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.518 -5.159 17707
475 1 2 . 1 1 50 50 LEU CB C 16 41.102 41.102 42.286 -1.184 17707
476 1 2 . 1 1 50 50 LEU H H 16 9.495 9.495 7.409 2.086 17707
477 1 2 . 1 1 51 51 LYS N N 17 123.276 123.276 126.695 -3.419 17707
478 1 2 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.099 -0.218 17707
479 1 2 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.730 -2.305 17707
480 1 2 . 1 1 51 51 LYS CB C 17 32.331 32.331 34.931 -2.599 17707
481 1 2 . 1 1 51 51 LYS H H 17 9.239 9.239 8.276 0.963 17707
482 1 2 . 1 1 52 52 VAL N N 18 130.086 130.086 122.927 7.159 17707
483 1 2 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.945 -0.171 17707
484 1 2 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.260 -2.034 17707
485 1 2 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.279 -4.357 17707
486 1 2 . 1 1 52 52 VAL H H 18 9.136 9.136 7.580 1.556 17707
487 1 2 . 1 1 53 53 ASP N N 19 125.621 125.621 121.114 4.507 17707
488 1 2 . 1 1 53 53 ASP HA H 19 5.178 5.178 4.884 0.294 17707
489 1 2 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.130 -2.516 17707
490 1 2 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.158 -1.611 17707
491 1 2 . 1 1 53 53 ASP H H 19 9.312 9.312 9.110 0.202 17707
492 1 2 . 1 1 54 54 ASN N N 20 112.496 112.496 114.935 -2.439 17707
493 1 2 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.385 0.092 17707
494 1 2 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.715 -2.699 17707
495 1 2 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.185 -2.566 17707
496 1 2 . 1 1 54 54 ASN H H 20 8.438 8.438 8.705 -0.267 17707
497 1 2 . 1 1 55 55 LEU N N 21 114.844 114.844 118.026 -3.182 17707
498 1 2 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.215 0.148 17707
499 1 2 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.984 -4.977 17707
500 1 2 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.873 -0.857 17707
501 1 2 . 1 1 55 55 LEU H H 21 7.477 7.477 7.799 -0.322 17707
502 1 2 . 1 1 56 56 THR N N 22 111.571 111.571 118.201 -6.630 17707
503 1 2 . 1 1 56 56 THR HA H 22 4.361 4.361 4.477 -0.116 17707
504 1 2 . 1 1 56 56 THR CA C 22 58.212 58.212 61.903 -3.691 17707
505 1 2 . 1 1 56 56 THR CB C 22 68.233 68.233 69.996 -1.763 17707
506 1 2 . 1 1 56 56 THR H H 22 8.341 8.341 8.183 0.158 17707
507 1 2 . 1 1 57 57 TYR N N 23 122.008 122.008 119.959 2.049 17707
508 1 2 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.387 -0.077 17707
509 1 2 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.475 -2.899 17707
510 1 2 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.325 -3.140 17707
511 1 2 . 1 1 57 57 TYR H H 23 8.587 8.587 8.782 -0.195 17707
512 1 2 . 1 1 58 58 ARG N N 24 114.767 114.767 116.572 -1.805 17707
513 1 2 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.688 -0.425 17707
514 1 2 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.544 -2.448 17707
515 1 2 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.392 -2.988 17707
516 1 2 . 1 1 58 58 ARG H H 24 7.262 7.262 7.805 -0.543 17707
517 1 2 . 1 1 59 59 THR N N 25 119.267 119.267 116.768 2.499 17707
518 1 2 . 1 1 59 59 THR HA H 25 4.015 4.015 4.626 -0.611 17707
519 1 2 . 1 1 59 59 THR CA C 25 62.247 62.247 61.074 1.173 17707
520 1 2 . 1 1 59 59 THR CB C 25 65.785 65.785 70.872 -5.087 17707
521 1 2 . 1 1 59 59 THR H H 25 7.348 7.348 7.617 -0.269 17707
522 1 2 . 1 1 60 60 SER N N 26 124.341 124.341 115.554 8.787 17707
523 1 2 . 1 1 60 60 SER HA H 26 4.861 4.861 5.006 -0.145 17707
524 1 2 . 1 1 60 60 SER CA C 26 52.864 52.864 55.266 -2.402 17707
525 1 2 . 1 1 60 60 SER CB C 26 61.783 61.783 64.771 -2.988 17707
526 1 2 . 1 1 60 60 SER H H 26 8.319 8.319 8.058 0.261 17707
527 1 2 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.390 -0.380 17707
528 1 2 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.073 -1.990 17707
529 1 2 . 1 1 62 62 ASP N N 28 115.615 115.615 117.747 -2.132 17707
530 1 2 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.431 -0.055 17707
531 1 2 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.524 -2.843 17707
532 1 2 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.744 -2.492 17707
533 1 2 . 1 1 62 62 ASP H H 28 8.020 8.020 8.539 -0.519 17707
534 1 2 . 1 1 63 63 THR N N 29 118.079 118.079 117.222 0.857 17707
535 1 2 . 1 1 63 63 THR HA H 29 3.902 3.902 4.231 -0.329 17707
536 1 2 . 1 1 63 63 THR CA C 29 63.729 63.729 66.596 -2.867 17707
537 1 2 . 1 1 63 63 THR CB C 29 65.634 65.634 68.919 -3.285 17707
538 1 2 . 1 1 63 63 THR H H 29 7.766 7.766 7.393 0.373 17707
539 1 2 . 1 1 64 64 LEU N N 30 118.985 118.985 120.850 -1.865 17707
540 1 2 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.243 -0.190 17707
541 1 2 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.770 -2.792 17707
542 1 2 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.984 -1.153 17707
543 1 2 . 1 1 64 64 LEU H H 30 7.495 7.495 8.402 -0.907 17707
544 1 2 . 1 1 65 65 ARG N N 31 119.245 119.245 120.077 -0.832 17707
545 1 2 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.210 -0.566 17707
546 1 2 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.468 -0.112 17707
547 1 2 . 1 1 65 65 ARG H H 31 8.583 8.583 7.689 0.894 17707
548 1 2 . 1 1 66 66 ARG N N 32 115.695 115.695 119.151 -3.456 17707
549 1 2 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.134 -0.062 17707
550 1 2 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.054 -2.380 17707
551 1 2 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.659 -2.101 17707
552 1 2 . 1 1 66 66 ARG H H 32 7.707 7.707 7.680 0.027 17707
553 1 2 . 1 1 67 67 VAL N N 33 115.500 115.500 119.125 -3.625 17707
554 1 2 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.893 -0.001 17707
555 1 2 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.940 -3.284 17707
556 1 2 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.121 -2.565 17707
557 1 2 . 1 1 67 67 VAL H H 33 7.739 7.739 8.312 -0.573 17707
558 1 2 . 1 1 68 68 PHE N N 34 116.290 116.290 116.553 -0.263 17707
559 1 2 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.991 -0.493 17707
560 1 2 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.432 0.596 17707
561 1 2 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.733 -4.541 17707
562 1 2 . 1 1 68 68 PHE H H 34 8.253 8.253 7.731 0.522 17707
563 1 2 . 1 1 69 69 GLU N N 35 119.333 119.333 121.356 -2.023 17707
564 1 2 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.105 0.930 17707
565 1 2 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.239 -4.258 17707
566 1 2 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.575 -3.401 17707
567 1 2 . 1 1 69 69 GLU H H 35 8.583 8.583 8.703 -0.120 17707
568 1 2 . 1 1 70 70 LYS N N 36 118.341 118.341 118.664 -0.323 17707
569 1 2 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.145 -0.253 17707
570 1 2 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.358 -2.899 17707
571 1 2 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.769 -2.545 17707
572 1 2 . 1 1 70 70 LYS H H 36 6.871 6.871 7.962 -1.091 17707
573 1 2 . 1 1 71 71 TYR N N 37 115.014 115.014 118.019 -3.005 17707
574 1 2 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.354 -0.047 17707
575 1 2 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.840 -3.606 17707
576 1 2 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.873 -2.239 17707
577 1 2 . 1 1 71 71 TYR H H 37 7.611 7.611 7.749 -0.138 17707
578 1 2 . 1 1 72 72 GLY N N 38 104.741 104.741 106.011 -1.270 17707
579 1 2 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.264 -3.635 17707
580 1 2 . 1 1 72 72 GLY H H 38 7.356 7.356 8.008 -0.652 17707
581 1 2 . 1 1 73 73 ARG N N 39 115.783 115.783 119.128 -3.345 17707
582 1 2 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.601 -0.233 17707
583 1 2 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.241 -0.538 17707
584 1 2 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.726 -4.874 17707
585 1 2 . 1 1 73 73 ARG H H 39 7.990 7.990 8.105 -0.115 17707
586 1 2 . 1 1 74 74 VAL N N 40 130.246 130.246 117.612 12.634 17707
587 1 2 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.707 -0.008 17707
588 1 2 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.175 -1.692 17707
589 1 2 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.257 -4.957 17707
590 1 2 . 1 1 74 74 VAL H H 40 8.846 8.846 8.402 0.444 17707
591 1 2 . 1 1 75 75 GLY N N 41 114.952 114.952 111.608 3.344 17707
592 1 2 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.889 -1.984 17707
593 1 2 . 1 1 75 75 GLY H H 41 8.943 8.943 8.580 0.363 17707
594 1 2 . 1 1 76 76 ASP N N 42 115.344 115.344 118.090 -2.746 17707
595 1 2 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.846 -0.134 17707
596 1 2 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.738 -1.224 17707
597 1 2 . 1 1 76 76 ASP H H 42 7.224 7.224 7.513 -0.289 17707
598 1 2 . 1 1 77 77 VAL N N 43 122.703 122.703 123.062 -0.359 17707
599 1 2 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.300 0.423 17707
600 1 2 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.883 -2.536 17707
601 1 2 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.457 -0.875 17707
602 1 2 . 1 1 77 77 VAL H H 43 7.551 7.551 8.214 -0.663 17707
603 1 2 . 1 1 78 78 TYR N N 44 125.956 125.956 128.794 -2.838 17707
604 1 2 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.654 0.317 17707
605 1 2 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.711 -4.405 17707
606 1 2 . 1 1 78 78 TYR H H 44 9.023 9.023 8.890 0.133 17707
607 1 2 . 1 1 79 79 ILE N N 45 129.856 129.856 122.050 7.806 17707
608 1 2 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.238 0.018 17707
609 1 2 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.567 -2.169 17707
610 1 2 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.017 -2.703 17707
611 1 2 . 1 1 79 79 ILE H H 45 8.231 8.231 7.725 0.506 17707
612 1 2 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.050 -0.146 17707
613 1 2 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.118 -3.477 17707
614 1 2 . 1 1 81 81 ARG H H 47 8.593 8.593 8.056 0.537 17707
615 1 2 . 1 1 82 82 ASP N N 48 125.712 125.712 121.455 4.257 17707
616 1 2 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.484 -0.102 17707
617 1 2 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.006 -1.547 17707
618 1 2 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.826 0.482 17707
619 1 2 . 1 1 82 82 ASP H H 48 8.948 8.948 8.426 0.522 17707
620 1 2 . 1 1 83 83 ARG N N 49 125.207 125.207 123.025 2.182 17707
621 1 2 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.003 -0.307 17707
622 1 2 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.403 -1.788 17707
623 1 2 . 1 1 83 83 ARG H H 49 8.688 8.688 8.751 -0.063 17707
624 1 2 . 1 1 84 84 TYR N N 50 117.911 117.911 111.773 6.138 17707
625 1 2 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.914 -0.320 17707
626 1 2 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.842 -0.076 17707
627 1 2 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.452 -3.265 17707
628 1 2 . 1 1 84 84 TYR H H 50 8.449 8.449 7.022 1.427 17707
629 1 2 . 1 1 85 85 THR N N 51 110.450 110.450 111.960 -1.510 17707
630 1 2 . 1 1 85 85 THR HA H 51 4.230 4.230 4.364 -0.134 17707
631 1 2 . 1 1 85 85 THR CA C 51 59.620 59.620 61.559 -1.938 17707
632 1 2 . 1 1 85 85 THR CB C 51 67.745 67.745 70.924 -3.179 17707
633 1 2 . 1 1 85 85 THR H H 51 9.141 9.141 7.346 1.795 17707
634 1 2 . 1 1 86 86 LYS N N 52 113.570 113.570 119.028 -5.458 17707
635 1 2 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.838 0.117 17707
636 1 2 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.588 -3.160 17707
637 1 2 . 1 1 86 86 LYS H H 52 7.821 7.821 8.301 -0.480 17707
638 1 2 . 1 1 87 87 GLU N N 53 118.364 118.364 117.957 0.407 17707
639 1 2 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.085 0.295 17707
640 1 2 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.470 -3.829 17707
641 1 2 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.688 -0.847 17707
642 1 2 . 1 1 87 87 GLU H H 53 7.714 7.714 7.617 0.098 17707
643 1 2 . 1 1 88 88 SER N N 54 115.692 115.692 113.634 2.058 17707
644 1 2 . 1 1 88 88 SER CB C 54 61.369 61.369 63.005 -1.637 17707
645 1 2 . 1 1 88 88 SER H H 54 8.705 8.705 7.932 0.773 17707
646 1 2 . 1 1 89 89 ARG N N 55 122.170 122.170 120.802 1.368 17707
647 1 2 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.538 -0.221 17707
648 1 2 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.571 -1.777 17707
649 1 2 . 1 1 89 89 ARG H H 55 7.934 7.934 8.664 -0.730 17707
650 1 2 . 1 1 90 90 GLY N N 56 106.948 106.948 106.796 0.152 17707
651 1 2 . 1 1 90 90 GLY CA C 56 43.275 43.275 44.996 -1.722 17707
652 1 2 . 1 1 90 90 GLY H H 56 8.557 8.557 8.507 0.050 17707
653 1 2 . 1 1 91 91 PHE N N 57 113.487 113.487 113.143 0.344 17707
654 1 2 . 1 1 91 91 PHE HA H 57 5.592 5.592 5.025 0.567 17707
655 1 2 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.363 -3.452 17707
656 1 2 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.996 -1.218 17707
657 1 2 . 1 1 91 91 PHE H H 57 6.936 6.936 7.084 -0.148 17707
658 1 2 . 1 1 92 92 ALA N N 58 117.841 117.841 122.319 -4.478 17707
659 1 2 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.536 0.212 17707
660 1 2 . 1 1 92 92 ALA CA C 58 46.535 46.535 50.982 -4.447 17707
661 1 2 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.521 3.077 17707
662 1 2 . 1 1 92 92 ALA H H 58 8.848 8.848 8.373 0.475 17707
663 1 2 . 1 1 93 93 PHE N N 59 115.981 115.981 126.900 -10.919 17707
664 1 2 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.861 0.812 17707
665 1 2 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.198 -4.336 17707
666 1 2 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.126 -2.228 17707
667 1 2 . 1 1 93 93 PHE H H 59 8.824 8.824 8.071 0.753 17707
668 1 2 . 1 1 94 94 VAL N N 60 123.120 123.120 122.996 0.124 17707
669 1 2 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.636 -0.332 17707
670 1 2 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.131 -0.200 17707
671 1 2 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.786 -4.357 17707
672 1 2 . 1 1 94 94 VAL H H 60 8.581 8.581 7.682 0.899 17707
673 1 2 . 1 1 95 95 ARG N N 61 123.954 123.954 119.488 4.466 17707
674 1 2 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.250 0.302 17707
675 1 2 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.188 -3.672 17707
676 1 2 . 1 1 95 95 ARG H H 61 8.727 8.727 8.523 0.204 17707
677 1 2 . 1 1 96 96 PHE N N 62 121.921 121.921 123.798 -1.877 17707
678 1 2 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.589 0.314 17707
679 1 2 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.966 -2.400 17707
680 1 2 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.297 -2.411 17707
681 1 2 . 1 1 96 96 PHE H H 62 9.127 9.127 8.585 0.542 17707
682 1 2 . 1 1 97 97 HIS N N 63 120.064 120.064 115.457 4.607 17707
683 1 2 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.870 -0.532 17707
684 1 2 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.747 1.514 17707
685 1 2 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.664 -4.376 17707
686 1 2 . 1 1 97 97 HIS H H 63 7.982 7.982 8.914 -0.932 17707
687 1 2 . 1 1 98 98 ASP N N 64 119.665 119.665 122.247 -2.582 17707
688 1 2 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.816 0.243 17707
689 1 2 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.093 -4.898 17707
690 1 2 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.512 -0.414 17707
691 1 2 . 1 1 98 98 ASP H H 64 9.096 9.096 8.551 0.545 17707
692 1 2 . 1 1 99 99 LYS N N 65 127.804 127.804 127.104 0.700 17707
693 1 2 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.915 -0.070 17707
694 1 2 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.363 -1.967 17707
695 1 2 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.480 -2.234 17707
696 1 2 . 1 1 99 99 LYS H H 65 8.784 8.784 8.818 -0.034 17707
697 1 2 . 1 1 100 100 ARG N N 66 118.451 118.451 116.989 1.462 17707
698 1 2 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.161 -0.091 17707
699 1 2 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.939 -2.800 17707
700 1 2 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.803 -2.038 17707
701 1 2 . 1 1 100 100 ARG H H 66 8.600 8.600 8.677 -0.077 17707
702 1 2 . 1 1 101 101 ASP N N 67 119.627 119.627 119.185 0.442 17707
703 1 2 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.717 -0.523 17707
704 1 2 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.280 -2.047 17707
705 1 2 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.465 -2.469 17707
706 1 2 . 1 1 101 101 ASP H H 67 7.089 7.089 8.382 -1.293 17707
707 1 2 . 1 1 102 102 ALA N N 68 119.421 119.421 123.841 -4.420 17707
708 1 2 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.545 -0.581 17707
709 1 2 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.863 -3.160 17707
710 1 2 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.505 -2.837 17707
711 1 2 . 1 1 102 102 ALA H H 68 6.832 6.832 7.647 -0.815 17707
712 1 2 . 1 1 103 103 GLU N N 69 117.506 117.506 117.243 0.263 17707
713 1 2 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.965 -0.307 17707
714 1 2 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.632 -1.470 17707
715 1 2 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.403 -2.978 17707
716 1 2 . 1 1 103 103 GLU H H 69 8.011 8.011 8.019 -0.008 17707
717 1 2 . 1 1 104 104 ASP N N 70 120.487 120.487 121.055 -0.568 17707
718 1 2 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.422 -0.156 17707
719 1 2 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.948 -2.460 17707
720 1 2 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.991 -3.529 17707
721 1 2 . 1 1 104 104 ASP H H 70 8.020 8.020 7.549 0.471 17707
722 1 2 . 1 1 105 105 ALA N N 71 122.179 122.179 120.599 1.580 17707
723 1 2 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.213 -0.438 17707
724 1 2 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.509 -2.764 17707
725 1 2 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.234 -1.026 17707
726 1 2 . 1 1 105 105 ALA H H 71 8.118 8.118 7.405 0.713 17707
727 1 2 . 1 1 106 106 MET N N 72 118.380 118.380 116.763 1.617 17707
728 1 2 . 1 1 106 106 MET HA H 72 3.655 3.655 4.111 -0.456 17707
729 1 2 . 1 1 106 106 MET CA C 72 57.188 57.188 58.892 -1.704 17707
730 1 2 . 1 1 106 106 MET CB C 72 30.409 30.409 32.706 -2.297 17707
731 1 2 . 1 1 106 106 MET H H 72 8.279 8.279 7.441 0.839 17707
732 1 2 . 1 1 107 107 ASP N N 73 117.030 117.030 118.891 -1.861 17707
733 1 2 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.568 -0.241 17707
734 1 2 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.545 -1.486 17707
735 1 2 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.900 -2.807 17707
736 1 2 . 1 1 107 107 ASP H H 73 7.749 7.749 7.880 -0.131 17707
737 1 2 . 1 1 108 108 ALA N N 74 117.995 117.995 119.504 -1.509 17707
738 1 2 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.630 -0.506 17707
739 1 2 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.798 -1.464 17707
740 1 2 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.398 -2.739 17707
741 1 2 . 1 1 108 108 ALA H H 74 7.347 7.347 7.497 -0.150 17707
742 1 2 . 1 1 109 109 MET N N 75 112.202 112.202 116.690 -4.488 17707
743 1 2 . 1 1 109 109 MET HA H 75 4.742 4.742 4.564 0.178 17707
744 1 2 . 1 1 109 109 MET CA C 75 50.546 50.546 55.727 -5.181 17707
745 1 2 . 1 1 109 109 MET H H 75 8.057 8.057 7.677 0.380 17707
746 1 2 . 1 1 110 110 ASP N N 76 120.043 120.043 120.995 -0.952 17707
747 1 2 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.448 -0.062 17707
748 1 2 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.523 -1.578 17707
749 1 2 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.169 -2.565 17707
750 1 2 . 1 1 110 110 ASP H H 76 7.825 7.825 7.656 0.169 17707
751 1 2 . 1 1 111 111 GLY N N 77 117.743 117.743 112.356 5.387 17707
752 1 2 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.720 -2.704 17707
753 1 2 . 1 1 111 111 GLY H H 77 8.636 8.636 8.285 0.351 17707
754 1 2 . 1 1 112 112 ALA N N 78 123.755 123.755 123.079 0.676 17707
755 1 2 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.444 -0.125 17707
756 1 2 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.428 -2.392 17707
757 1 2 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.549 -1.101 17707
758 1 2 . 1 1 112 112 ALA H H 78 7.909 7.909 7.784 0.125 17707
759 1 2 . 1 1 113 113 VAL N N 79 118.703 118.703 119.782 -1.079 17707
760 1 2 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.952 0.661 17707
761 1 2 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.606 -3.034 17707
762 1 2 . 1 1 113 113 VAL H H 79 8.083 8.083 7.438 0.645 17707
763 1 2 . 1 1 114 114 LEU N N 80 129.473 129.473 117.093 12.380 17707
764 1 2 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.655 -0.112 17707
765 1 2 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.800 -3.858 17707
766 1 2 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.190 -0.605 17707
767 1 2 . 1 1 114 114 LEU H H 80 8.895 8.895 8.566 0.329 17707
768 1 2 . 1 1 115 115 ASP N N 81 129.660 129.660 119.841 9.819 17707
769 1 2 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.759 -0.530 17707
770 1 2 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.188 -1.936 17707
771 1 2 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.103 -4.831 17707
772 1 2 . 1 1 115 115 ASP H H 81 9.428 9.428 8.112 1.316 17707
773 1 2 . 1 1 116 116 GLY N N 82 100.557 100.557 106.976 -6.419 17707
774 1 2 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.897 -2.015 17707
775 1 2 . 1 1 116 116 GLY H H 82 7.978 7.978 8.016 -0.038 17707
776 1 2 . 1 1 117 117 ARG N N 83 120.104 120.104 118.328 1.776 17707
777 1 2 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.537 0.013 17707
778 1 2 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.359 -4.253 17707
779 1 2 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.784 -1.139 17707
780 1 2 . 1 1 117 117 ARG H H 83 7.493 7.493 7.487 0.006 17707
781 1 2 . 1 1 118 118 GLU N N 84 121.206 121.206 118.146 3.060 17707
782 1 2 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.614 -0.311 17707
783 1 2 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.410 -2.981 17707
784 1 2 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.233 -5.107 17707
785 1 2 . 1 1 118 118 GLU H H 84 8.352 8.352 8.644 -0.292 17707
786 1 2 . 1 1 119 119 LEU N N 85 127.970 127.970 118.992 8.978 17707
787 1 2 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.886 -0.324 17707
788 1 2 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.334 -0.811 17707
789 1 2 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.363 -4.552 17707
790 1 2 . 1 1 119 119 LEU H H 85 9.349 9.349 7.784 1.565 17707
791 1 2 . 1 1 120 120 ARG N N 86 121.001 121.001 119.675 1.326 17707
792 1 2 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.077 0.097 17707
793 1 2 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.535 -2.940 17707
794 1 2 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.915 -3.223 17707
795 1 2 . 1 1 120 120 ARG H H 86 7.512 7.512 8.222 -0.710 17707
796 1 2 . 1 1 121 121 VAL N N 87 125.999 125.999 123.861 2.138 17707
797 1 2 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.938 0.000 17707
798 1 2 . 1 1 121 121 VAL CA C 87 58.766 58.766 61.166 -2.400 17707
799 1 2 . 1 1 121 121 VAL H H 87 9.437 9.437 9.001 0.436 17707
800 1 2 . 1 1 122 122 GLN N N 88 121.684 121.684 125.065 -3.381 17707
801 1 2 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.621 0.348 17707
802 1 2 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.186 -3.287 17707
803 1 2 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.208 -2.051 17707
804 1 2 . 1 1 122 122 GLN H H 88 8.301 8.301 8.538 -0.237 17707
805 1 2 . 1 1 123 123 MET N N 89 121.937 121.937 120.564 1.373 17707
806 1 2 . 1 1 123 123 MET HA H 89 4.529 4.529 4.423 0.106 17707
807 1 2 . 1 1 123 123 MET CA C 89 53.328 53.328 55.249 -1.921 17707
808 1 2 . 1 1 123 123 MET CB C 89 28.750 28.750 32.427 -3.677 17707
809 1 2 . 1 1 123 123 MET H H 89 8.714 8.714 8.806 -0.092 17707
810 1 2 . 1 1 124 124 ALA N N 90 126.984 126.984 127.859 -0.875 17707
811 1 2 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.264 0.153 17707
812 1 2 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.751 -2.947 17707
813 1 2 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.752 -4.500 17707
814 1 2 . 1 1 124 124 ALA H H 90 8.437 8.437 8.321 0.116 17707
815 1 2 . 1 1 125 125 ARG H H 91 9.886 9.886 8.785 1.101 17707
816 1 2 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.056 -2.320 17707
817 1 2 . 1 1 128 128 ARG N N 94 120.921 120.921 120.408 0.513 17707
818 1 2 . 1 1 128 128 ARG H H 94 8.245 8.245 8.495 -0.250 17707
819 1 2 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.563 0.030 17707
820 1 2 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.479 -3.490 17707
821 1 2 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.428 -0.111 17707
822 1 2 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.046 -3.651 17707
823 1 2 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.479 -3.218 17707
824 1 2 . 1 1 131 131 ASP N N 97 119.855 119.855 118.330 1.525 17707
825 1 2 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.617 -0.125 17707
826 1 2 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.001 -1.586 17707
827 1 2 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.591 -4.038 17707
828 1 2 . 1 1 131 131 ASP H H 97 8.196 8.196 7.553 0.643 17707
829 1 2 . 1 1 132 132 SER N N 98 116.150 116.150 118.122 -1.972 17707
830 1 2 . 1 1 132 132 SER HA H 98 4.286 4.286 4.393 -0.107 17707
831 1 2 . 1 1 132 132 SER CA C 98 55.729 55.729 58.764 -3.035 17707
832 1 2 . 1 1 132 132 SER CB C 98 61.088 61.088 62.127 -1.039 17707
833 1 2 . 1 1 132 132 SER H H 98 8.070 8.070 8.651 -0.581 17707
834 1 2 . 1 1 133 133 HIS N N 99 119.771 119.771 125.353 -5.582 17707
835 1 2 . 1 1 133 133 HIS CB C 99 27.067 27.067 28.700 -1.633 17707
836 1 2 . 1 1 133 133 HIS H H 99 8.322 8.322 8.345 -0.023 17707
837 1 3 . 1 1 36 36 SER N N 2 116.365 116.365 116.942 -0.577 17707
838 1 3 . 1 1 36 36 SER HA H 2 4.398 4.398 4.785 -0.387 17707
839 1 3 . 1 1 36 36 SER CA C 2 55.706 55.706 57.226 -1.520 17707
840 1 3 . 1 1 36 36 SER CB C 2 61.260 61.260 64.561 -3.301 17707
841 1 3 . 1 1 36 36 SER H H 2 8.112 8.112 8.214 -0.102 17707
842 1 3 . 1 1 37 37 TYR N N 3 121.885 121.885 120.022 1.863 17707
843 1 3 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.264 0.370 17707
844 1 3 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.557 -2.374 17707
845 1 3 . 1 1 37 37 TYR H H 3 8.155 8.155 8.696 -0.541 17707
846 1 3 . 1 1 38 38 GLY N N 4 109.771 109.771 106.850 2.921 17707
847 1 3 . 1 1 38 38 GLY H H 4 8.332 8.332 7.929 0.403 17707
848 1 3 . 1 1 39 39 ARG N N 5 121.087 121.087 117.346 3.741 17707
849 1 3 . 1 1 39 39 ARG HA H 5 4.541 4.541 3.936 0.605 17707
850 1 3 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.179 -4.984 17707
851 1 3 . 1 1 39 39 ARG H H 5 8.224 8.224 8.347 -0.123 17707
852 1 3 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.621 -0.382 17707
853 1 3 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.892 -3.498 17707
854 1 3 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.699 -0.315 17707
855 1 3 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.057 -3.485 17707
856 1 3 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.659 -0.386 17707
857 1 3 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.679 -2.548 17707
858 1 3 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.417 -4.320 17707
859 1 3 . 1 1 43 43 ASP N N 9 119.118 119.118 116.378 2.740 17707
860 1 3 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.899 -0.387 17707
861 1 3 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.689 -2.148 17707
862 1 3 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.905 -3.406 17707
863 1 3 . 1 1 43 43 ASP H H 9 8.425 8.425 8.592 -0.167 17707
864 1 3 . 1 1 44 44 VAL N N 10 118.278 118.278 115.944 2.334 17707
865 1 3 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.925 0.281 17707
866 1 3 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.491 -5.328 17707
867 1 3 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.924 -2.926 17707
868 1 3 . 1 1 44 44 VAL H H 10 7.882 7.882 7.990 -0.108 17707
869 1 3 . 1 1 45 45 GLU N N 11 123.222 123.222 120.182 3.040 17707
870 1 3 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.220 -0.172 17707
871 1 3 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.982 -1.135 17707
872 1 3 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.735 -2.288 17707
873 1 3 . 1 1 45 45 GLU H H 11 8.328 8.328 8.571 -0.243 17707
874 1 3 . 1 1 46 46 GLY N N 12 108.993 108.993 108.813 0.180 17707
875 1 3 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.304 -2.605 17707
876 1 3 . 1 1 46 46 GLY H H 12 8.361 8.361 8.049 0.312 17707
877 1 3 . 1 1 47 47 MET N N 13 118.074 118.074 117.493 0.581 17707
878 1 3 . 1 1 47 47 MET HA H 13 4.584 4.584 5.024 -0.440 17707
879 1 3 . 1 1 47 47 MET CB C 13 31.447 31.447 34.840 -3.393 17707
880 1 3 . 1 1 47 47 MET H H 13 7.493 7.493 7.431 0.062 17707
881 1 3 . 1 1 48 48 THR N N 14 118.968 118.968 117.053 1.915 17707
882 1 3 . 1 1 48 48 THR HA H 14 4.534 4.534 4.101 0.433 17707
883 1 3 . 1 1 48 48 THR CA C 14 60.656 60.656 65.333 -4.677 17707
884 1 3 . 1 1 48 48 THR CB C 14 67.544 67.544 68.870 -1.326 17707
885 1 3 . 1 1 48 48 THR H H 14 8.993 8.993 8.684 0.309 17707
886 1 3 . 1 1 49 49 SER N N 15 123.365 123.365 114.453 8.912 17707
887 1 3 . 1 1 49 49 SER HA H 15 5.017 5.017 4.151 0.866 17707
888 1 3 . 1 1 49 49 SER CB C 15 61.787 61.787 61.704 0.083 17707
889 1 3 . 1 1 49 49 SER H H 15 9.097 9.097 7.965 1.132 17707
890 1 3 . 1 1 50 50 LEU N N 16 124.488 124.488 121.345 3.143 17707
891 1 3 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.131 0.877 17707
892 1 3 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.940 -5.581 17707
893 1 3 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.341 -2.239 17707
894 1 3 . 1 1 50 50 LEU H H 16 9.495 9.495 7.489 2.006 17707
895 1 3 . 1 1 51 51 LYS N N 17 123.276 123.276 117.302 5.974 17707
896 1 3 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.191 -0.310 17707
897 1 3 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.344 -1.919 17707
898 1 3 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.338 -4.007 17707
899 1 3 . 1 1 51 51 LYS H H 17 9.239 9.239 8.797 0.442 17707
900 1 3 . 1 1 52 52 VAL N N 18 130.086 130.086 119.730 10.356 17707
901 1 3 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.616 0.158 17707
902 1 3 . 1 1 52 52 VAL CA C 18 58.226 58.226 61.091 -2.865 17707
903 1 3 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.415 -4.493 17707
904 1 3 . 1 1 52 52 VAL H H 18 9.136 9.136 7.607 1.529 17707
905 1 3 . 1 1 53 53 ASP N N 19 125.621 125.621 122.829 2.792 17707
906 1 3 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.091 0.087 17707
907 1 3 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.951 -2.337 17707
908 1 3 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.355 -2.808 17707
909 1 3 . 1 1 53 53 ASP H H 19 9.312 9.312 8.707 0.605 17707
910 1 3 . 1 1 54 54 ASN N N 20 112.496 112.496 115.261 -2.765 17707
911 1 3 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.463 0.014 17707
912 1 3 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.698 -2.682 17707
913 1 3 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.673 -3.054 17707
914 1 3 . 1 1 54 54 ASN H H 20 8.438 8.438 8.687 -0.249 17707
915 1 3 . 1 1 55 55 LEU N N 21 114.844 114.844 119.632 -4.788 17707
916 1 3 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.186 0.177 17707
917 1 3 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.734 -4.727 17707
918 1 3 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.648 0.368 17707
919 1 3 . 1 1 55 55 LEU H H 21 7.477 7.477 7.737 -0.260 17707
920 1 3 . 1 1 56 56 THR N N 22 111.571 111.571 118.939 -7.368 17707
921 1 3 . 1 1 56 56 THR HA H 22 4.361 4.361 4.338 0.023 17707
922 1 3 . 1 1 56 56 THR CA C 22 58.212 58.212 62.725 -4.513 17707
923 1 3 . 1 1 56 56 THR CB C 22 68.233 68.233 69.736 -1.503 17707
924 1 3 . 1 1 56 56 THR H H 22 8.341 8.341 7.880 0.461 17707
925 1 3 . 1 1 57 57 TYR N N 23 122.008 122.008 119.510 2.498 17707
926 1 3 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.411 -0.101 17707
927 1 3 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.613 -3.037 17707
928 1 3 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.460 -3.275 17707
929 1 3 . 1 1 57 57 TYR H H 23 8.587 8.587 8.837 -0.250 17707
930 1 3 . 1 1 58 58 ARG N N 24 114.767 114.767 116.649 -1.882 17707
931 1 3 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.702 -0.439 17707
932 1 3 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.596 -2.500 17707
933 1 3 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.523 -3.119 17707
934 1 3 . 1 1 58 58 ARG H H 24 7.262 7.262 7.819 -0.557 17707
935 1 3 . 1 1 59 59 THR N N 25 119.267 119.267 117.057 2.210 17707
936 1 3 . 1 1 59 59 THR HA H 25 4.015 4.015 4.702 -0.687 17707
937 1 3 . 1 1 59 59 THR CA C 25 62.247 62.247 60.972 1.275 17707
938 1 3 . 1 1 59 59 THR CB C 25 65.785 65.785 70.725 -4.940 17707
939 1 3 . 1 1 59 59 THR H H 25 7.348 7.348 7.740 -0.392 17707
940 1 3 . 1 1 60 60 SER N N 26 124.341 124.341 114.538 9.803 17707
941 1 3 . 1 1 60 60 SER HA H 26 4.861 4.861 4.979 -0.118 17707
942 1 3 . 1 1 60 60 SER CA C 26 52.864 52.864 54.869 -2.005 17707
943 1 3 . 1 1 60 60 SER CB C 26 61.783 61.783 65.072 -3.289 17707
944 1 3 . 1 1 60 60 SER H H 26 8.319 8.319 8.173 0.146 17707
945 1 3 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.389 -0.379 17707
946 1 3 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.079 -1.996 17707
947 1 3 . 1 1 62 62 ASP N N 28 115.615 115.615 118.015 -2.400 17707
948 1 3 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.427 -0.051 17707
949 1 3 . 1 1 62 62 ASP CA C 28 54.681 54.681 58.124 -3.443 17707
950 1 3 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.352 -2.100 17707
951 1 3 . 1 1 62 62 ASP H H 28 8.020 8.020 8.621 -0.601 17707
952 1 3 . 1 1 63 63 THR N N 29 118.079 118.079 117.162 0.917 17707
953 1 3 . 1 1 63 63 THR HA H 29 3.902 3.902 4.184 -0.282 17707
954 1 3 . 1 1 63 63 THR CA C 29 63.729 63.729 66.260 -2.531 17707
955 1 3 . 1 1 63 63 THR CB C 29 65.634 65.634 68.832 -3.198 17707
956 1 3 . 1 1 63 63 THR H H 29 7.766 7.766 7.468 0.298 17707
957 1 3 . 1 1 64 64 LEU N N 30 118.985 118.985 120.819 -1.834 17707
958 1 3 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.214 -0.161 17707
959 1 3 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.740 -2.763 17707
960 1 3 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.909 -1.078 17707
961 1 3 . 1 1 64 64 LEU H H 30 7.495 7.495 8.142 -0.647 17707
962 1 3 . 1 1 65 65 ARG N N 31 119.245 119.245 120.078 -0.833 17707
963 1 3 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.166 -0.522 17707
964 1 3 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.490 -0.134 17707
965 1 3 . 1 1 65 65 ARG H H 31 8.583 8.583 7.775 0.808 17707
966 1 3 . 1 1 66 66 ARG N N 32 115.695 115.695 118.582 -2.887 17707
967 1 3 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.185 -0.113 17707
968 1 3 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.846 -2.172 17707
969 1 3 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.582 -2.024 17707
970 1 3 . 1 1 66 66 ARG H H 32 7.707 7.707 7.586 0.121 17707
971 1 3 . 1 1 67 67 VAL N N 33 115.500 115.500 119.014 -3.514 17707
972 1 3 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.889 0.003 17707
973 1 3 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.359 -2.703 17707
974 1 3 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.317 -2.761 17707
975 1 3 . 1 1 67 67 VAL H H 33 7.739 7.739 8.135 -0.396 17707
976 1 3 . 1 1 68 68 PHE N N 34 116.290 116.290 116.547 -0.257 17707
977 1 3 . 1 1 68 68 PHE HA H 34 4.498 4.498 5.004 -0.506 17707
978 1 3 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.155 0.873 17707
979 1 3 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.758 -4.566 17707
980 1 3 . 1 1 68 68 PHE H H 34 8.253 8.253 7.711 0.542 17707
981 1 3 . 1 1 69 69 GLU N N 35 119.333 119.333 120.740 -1.407 17707
982 1 3 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.061 0.974 17707
983 1 3 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.047 -4.066 17707
984 1 3 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.761 -3.587 17707
985 1 3 . 1 1 69 69 GLU H H 35 8.583 8.583 8.536 0.047 17707
986 1 3 . 1 1 70 70 LYS N N 36 118.341 118.341 118.746 -0.405 17707
987 1 3 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.110 -0.218 17707
988 1 3 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.403 -2.943 17707
989 1 3 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.765 -2.541 17707
990 1 3 . 1 1 70 70 LYS H H 36 6.871 6.871 8.130 -1.259 17707
991 1 3 . 1 1 71 71 TYR N N 37 115.014 115.014 117.966 -2.952 17707
992 1 3 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.377 -0.070 17707
993 1 3 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.777 -3.543 17707
994 1 3 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.913 -2.277 17707
995 1 3 . 1 1 71 71 TYR H H 37 7.611 7.611 7.773 -0.162 17707
996 1 3 . 1 1 72 72 GLY N N 38 104.741 104.741 106.012 -1.271 17707
997 1 3 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.344 -3.715 17707
998 1 3 . 1 1 72 72 GLY H H 38 7.356 7.356 7.982 -0.626 17707
999 1 3 . 1 1 73 73 ARG N N 39 115.783 115.783 119.336 -3.553 17707
1000 1 3 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.605 -0.237 17707
1001 1 3 . 1 1 73 73 ARG CA C 39 54.703 54.703 54.986 -0.283 17707
1002 1 3 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.933 -5.081 17707
1003 1 3 . 1 1 73 73 ARG H H 39 7.990 7.990 8.164 -0.174 17707
1004 1 3 . 1 1 74 74 VAL N N 40 130.246 130.246 118.698 11.548 17707
1005 1 3 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.871 -0.172 17707
1006 1 3 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.673 -1.190 17707
1007 1 3 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.075 -4.776 17707
1008 1 3 . 1 1 74 74 VAL H H 40 8.846 8.846 8.463 0.383 17707
1009 1 3 . 1 1 75 75 GLY N N 41 114.952 114.952 111.741 3.211 17707
1010 1 3 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.792 -1.887 17707
1011 1 3 . 1 1 75 75 GLY H H 41 8.943 8.943 8.619 0.324 17707
1012 1 3 . 1 1 76 76 ASP N N 42 115.344 115.344 118.428 -3.084 17707
1013 1 3 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.701 0.011 17707
1014 1 3 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.247 -0.733 17707
1015 1 3 . 1 1 76 76 ASP H H 42 7.224 7.224 7.450 -0.226 17707
1016 1 3 . 1 1 77 77 VAL N N 43 122.703 122.703 121.033 1.670 17707
1017 1 3 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.174 0.549 17707
1018 1 3 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.659 -2.312 17707
1019 1 3 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.822 -2.240 17707
1020 1 3 . 1 1 77 77 VAL H H 43 7.551 7.551 8.089 -0.538 17707
1021 1 3 . 1 1 78 78 TYR N N 44 125.956 125.956 127.168 -1.212 17707
1022 1 3 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.645 0.326 17707
1023 1 3 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.489 -4.183 17707
1024 1 3 . 1 1 78 78 TYR H H 44 9.023 9.023 8.313 0.710 17707
1025 1 3 . 1 1 79 79 ILE N N 45 129.856 129.856 122.166 7.690 17707
1026 1 3 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.243 0.013 17707
1027 1 3 . 1 1 79 79 ILE CA C 45 55.398 55.398 58.663 -3.265 17707
1028 1 3 . 1 1 79 79 ILE CB C 45 36.314 36.314 38.445 -2.131 17707
1029 1 3 . 1 1 79 79 ILE H H 45 8.231 8.231 8.434 -0.203 17707
1030 1 3 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.257 -0.353 17707
1031 1 3 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.766 -3.125 17707
1032 1 3 . 1 1 81 81 ARG H H 47 8.593 8.593 8.107 0.486 17707
1033 1 3 . 1 1 82 82 ASP N N 48 125.712 125.712 117.438 8.274 17707
1034 1 3 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.577 -0.195 17707
1035 1 3 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.522 -1.063 17707
1036 1 3 . 1 1 82 82 ASP CB C 48 41.308 41.308 42.680 -1.372 17707
1037 1 3 . 1 1 82 82 ASP H H 48 8.948 8.948 7.922 1.026 17707
1038 1 3 . 1 1 83 83 ARG N N 49 125.207 125.207 123.186 2.021 17707
1039 1 3 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.949 -0.253 17707
1040 1 3 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.746 -2.132 17707
1041 1 3 . 1 1 83 83 ARG H H 49 8.688 8.688 8.542 0.146 17707
1042 1 3 . 1 1 84 84 TYR N N 50 117.911 117.911 111.555 6.356 17707
1043 1 3 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.918 -0.324 17707
1044 1 3 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.997 -0.231 17707
1045 1 3 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.706 -2.518 17707
1046 1 3 . 1 1 84 84 TYR H H 50 8.449 8.449 6.983 1.466 17707
1047 1 3 . 1 1 85 85 THR N N 51 110.450 110.450 112.221 -1.771 17707
1048 1 3 . 1 1 85 85 THR HA H 51 4.230 4.230 4.485 -0.255 17707
1049 1 3 . 1 1 85 85 THR CA C 51 59.620 59.620 61.901 -2.281 17707
1050 1 3 . 1 1 85 85 THR CB C 51 67.745 67.745 70.918 -3.173 17707
1051 1 3 . 1 1 85 85 THR H H 51 9.141 9.141 7.503 1.638 17707
1052 1 3 . 1 1 86 86 LYS N N 52 113.570 113.570 119.045 -5.475 17707
1053 1 3 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.711 0.244 17707
1054 1 3 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.784 -3.356 17707
1055 1 3 . 1 1 86 86 LYS H H 52 7.821 7.821 8.336 -0.515 17707
1056 1 3 . 1 1 87 87 GLU N N 53 118.364 118.364 117.552 0.812 17707
1057 1 3 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.123 0.257 17707
1058 1 3 . 1 1 87 87 GLU CA C 53 52.641 52.641 58.060 -5.419 17707
1059 1 3 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.337 -0.496 17707
1060 1 3 . 1 1 87 87 GLU H H 53 7.714 7.714 7.593 0.121 17707
1061 1 3 . 1 1 88 88 SER N N 54 115.692 115.692 113.929 1.763 17707
1062 1 3 . 1 1 88 88 SER CB C 54 61.369 61.369 63.262 -1.893 17707
1063 1 3 . 1 1 88 88 SER H H 54 8.705 8.705 7.727 0.978 17707
1064 1 3 . 1 1 89 89 ARG N N 55 122.170 122.170 121.508 0.662 17707
1065 1 3 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.010 0.307 17707
1066 1 3 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.166 -2.372 17707
1067 1 3 . 1 1 89 89 ARG H H 55 7.934 7.934 7.515 0.419 17707
1068 1 3 . 1 1 90 90 GLY N N 56 106.948 106.948 104.775 2.173 17707
1069 1 3 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.635 -2.360 17707
1070 1 3 . 1 1 90 90 GLY H H 56 8.557 8.557 8.232 0.325 17707
1071 1 3 . 1 1 91 91 PHE N N 57 113.487 113.487 113.966 -0.479 17707
1072 1 3 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.901 0.691 17707
1073 1 3 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.774 -2.863 17707
1074 1 3 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.886 -1.108 17707
1075 1 3 . 1 1 91 91 PHE H H 57 6.936 6.936 7.175 -0.239 17707
1076 1 3 . 1 1 92 92 ALA N N 58 117.841 117.841 122.007 -4.166 17707
1077 1 3 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.522 0.226 17707
1078 1 3 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.197 -4.662 17707
1079 1 3 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.669 2.929 17707
1080 1 3 . 1 1 92 92 ALA H H 58 8.848 8.848 8.287 0.561 17707
1081 1 3 . 1 1 93 93 PHE N N 59 115.981 115.981 126.992 -11.011 17707
1082 1 3 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.691 0.982 17707
1083 1 3 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.640 -4.778 17707
1084 1 3 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.739 -1.841 17707
1085 1 3 . 1 1 93 93 PHE H H 59 8.824 8.824 8.109 0.715 17707
1086 1 3 . 1 1 94 94 VAL N N 60 123.120 123.120 123.451 -0.331 17707
1087 1 3 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.317 -0.013 17707
1088 1 3 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.359 -0.428 17707
1089 1 3 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.115 -3.687 17707
1090 1 3 . 1 1 94 94 VAL H H 60 8.581 8.581 7.658 0.923 17707
1091 1 3 . 1 1 95 95 ARG N N 61 123.954 123.954 117.889 6.065 17707
1092 1 3 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.108 0.444 17707
1093 1 3 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.373 -3.858 17707
1094 1 3 . 1 1 95 95 ARG H H 61 8.727 8.727 8.315 0.412 17707
1095 1 3 . 1 1 96 96 PHE N N 62 121.921 121.921 120.544 1.377 17707
1096 1 3 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.645 0.258 17707
1097 1 3 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.294 -1.728 17707
1098 1 3 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.129 -3.243 17707
1099 1 3 . 1 1 96 96 PHE H H 62 9.127 9.127 8.250 0.877 17707
1100 1 3 . 1 1 97 97 HIS N N 63 120.064 120.064 115.241 4.823 17707
1101 1 3 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.834 -0.496 17707
1102 1 3 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.225 1.036 17707
1103 1 3 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.770 -4.482 17707
1104 1 3 . 1 1 97 97 HIS H H 63 7.982 7.982 8.997 -1.015 17707
1105 1 3 . 1 1 98 98 ASP N N 64 119.665 119.665 122.105 -2.440 17707
1106 1 3 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.844 0.215 17707
1107 1 3 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.155 -4.960 17707
1108 1 3 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.907 -0.809 17707
1109 1 3 . 1 1 98 98 ASP H H 64 9.096 9.096 8.489 0.607 17707
1110 1 3 . 1 1 99 99 LYS N N 65 127.804 127.804 127.241 0.563 17707
1111 1 3 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.908 -0.063 17707
1112 1 3 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.462 -2.066 17707
1113 1 3 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.397 -2.151 17707
1114 1 3 . 1 1 99 99 LYS H H 65 8.784 8.784 8.884 -0.100 17707
1115 1 3 . 1 1 100 100 ARG N N 66 118.451 118.451 117.511 0.940 17707
1116 1 3 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.112 -0.042 17707
1117 1 3 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.066 -2.927 17707
1118 1 3 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.662 -1.896 17707
1119 1 3 . 1 1 100 100 ARG H H 66 8.600 8.600 8.713 -0.113 17707
1120 1 3 . 1 1 101 101 ASP N N 67 119.627 119.627 118.473 1.154 17707
1121 1 3 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.714 -0.520 17707
1122 1 3 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.607 -2.374 17707
1123 1 3 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.506 -2.510 17707
1124 1 3 . 1 1 101 101 ASP H H 67 7.089 7.089 8.666 -1.577 17707
1125 1 3 . 1 1 102 102 ALA N N 68 119.421 119.421 123.540 -4.119 17707
1126 1 3 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.463 -0.499 17707
1127 1 3 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.760 -3.057 17707
1128 1 3 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.883 -3.215 17707
1129 1 3 . 1 1 102 102 ALA H H 68 6.832 6.832 7.646 -0.814 17707
1130 1 3 . 1 1 103 103 GLU N N 69 117.506 117.506 117.665 -0.159 17707
1131 1 3 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.923 -0.265 17707
1132 1 3 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.817 -1.655 17707
1133 1 3 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.372 -2.947 17707
1134 1 3 . 1 1 103 103 GLU H H 69 8.011 8.011 8.478 -0.467 17707
1135 1 3 . 1 1 104 104 ASP N N 70 120.487 120.487 121.013 -0.526 17707
1136 1 3 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.417 -0.151 17707
1137 1 3 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.793 -2.305 17707
1138 1 3 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.952 -3.490 17707
1139 1 3 . 1 1 104 104 ASP H H 70 8.020 8.020 7.690 0.330 17707
1140 1 3 . 1 1 105 105 ALA N N 71 122.179 122.179 120.597 1.582 17707
1141 1 3 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.201 -0.426 17707
1142 1 3 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.447 -2.703 17707
1143 1 3 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.237 -1.029 17707
1144 1 3 . 1 1 105 105 ALA H H 71 8.118 8.118 7.305 0.813 17707
1145 1 3 . 1 1 106 106 MET N N 72 118.380 118.380 116.945 1.435 17707
1146 1 3 . 1 1 106 106 MET HA H 72 3.655 3.655 4.145 -0.490 17707
1147 1 3 . 1 1 106 106 MET CA C 72 57.188 57.188 58.519 -1.331 17707
1148 1 3 . 1 1 106 106 MET CB C 72 30.409 30.409 32.856 -2.447 17707
1149 1 3 . 1 1 106 106 MET H H 72 8.279 8.279 7.546 0.733 17707
1150 1 3 . 1 1 107 107 ASP N N 73 117.030 117.030 118.753 -1.723 17707
1151 1 3 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.572 -0.245 17707
1152 1 3 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.526 -1.468 17707
1153 1 3 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.929 -2.836 17707
1154 1 3 . 1 1 107 107 ASP H H 73 7.749 7.749 7.884 -0.135 17707
1155 1 3 . 1 1 108 108 ALA N N 74 117.995 117.995 119.501 -1.506 17707
1156 1 3 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.630 -0.506 17707
1157 1 3 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.781 -1.447 17707
1158 1 3 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.369 -2.711 17707
1159 1 3 . 1 1 108 108 ALA H H 74 7.347 7.347 7.487 -0.140 17707
1160 1 3 . 1 1 109 109 MET N N 75 112.202 112.202 116.578 -4.376 17707
1161 1 3 . 1 1 109 109 MET HA H 75 4.742 4.742 4.557 0.185 17707
1162 1 3 . 1 1 109 109 MET CA C 75 50.546 50.546 55.717 -5.171 17707
1163 1 3 . 1 1 109 109 MET H H 75 8.057 8.057 7.673 0.384 17707
1164 1 3 . 1 1 110 110 ASP N N 76 120.043 120.043 120.449 -0.406 17707
1165 1 3 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.443 -0.057 17707
1166 1 3 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.276 -1.331 17707
1167 1 3 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.191 -2.587 17707
1168 1 3 . 1 1 110 110 ASP H H 76 7.825 7.825 7.638 0.187 17707
1169 1 3 . 1 1 111 111 GLY N N 77 117.743 117.743 113.471 4.272 17707
1170 1 3 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.619 -2.603 17707
1171 1 3 . 1 1 111 111 GLY H H 77 8.636 8.636 8.081 0.555 17707
1172 1 3 . 1 1 112 112 ALA N N 78 123.755 123.755 122.556 1.199 17707
1173 1 3 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.536 -0.217 17707
1174 1 3 . 1 1 112 112 ALA CA C 78 49.036 49.036 52.068 -3.032 17707
1175 1 3 . 1 1 112 112 ALA CB C 78 17.448 17.448 19.331 -1.883 17707
1176 1 3 . 1 1 112 112 ALA H H 78 7.909 7.909 7.516 0.393 17707
1177 1 3 . 1 1 113 113 VAL N N 79 118.703 118.703 116.725 1.978 17707
1178 1 3 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.096 0.517 17707
1179 1 3 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.468 -2.896 17707
1180 1 3 . 1 1 113 113 VAL H H 79 8.083 8.083 7.487 0.596 17707
1181 1 3 . 1 1 114 114 LEU N N 80 129.473 129.473 116.354 13.119 17707
1182 1 3 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.719 -0.176 17707
1183 1 3 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.094 -3.152 17707
1184 1 3 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.846 -0.261 17707
1185 1 3 . 1 1 114 114 LEU H H 80 8.895 8.895 8.022 0.873 17707
1186 1 3 . 1 1 115 115 ASP N N 81 129.660 129.660 119.037 10.623 17707
1187 1 3 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.947 -0.718 17707
1188 1 3 . 1 1 115 115 ASP CA C 81 52.252 52.252 55.331 -3.079 17707
1189 1 3 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.516 -5.244 17707
1190 1 3 . 1 1 115 115 ASP H H 81 9.428 9.428 8.518 0.910 17707
1191 1 3 . 1 1 116 116 GLY N N 82 100.557 100.557 108.133 -7.576 17707
1192 1 3 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.136 -2.255 17707
1193 1 3 . 1 1 116 116 GLY H H 82 7.978 7.978 7.986 -0.008 17707
1194 1 3 . 1 1 117 117 ARG N N 83 120.104 120.104 117.591 2.513 17707
1195 1 3 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.573 -0.023 17707
1196 1 3 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.826 -4.720 17707
1197 1 3 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.727 -1.083 17707
1198 1 3 . 1 1 117 117 ARG H H 83 7.493 7.493 7.726 -0.233 17707
1199 1 3 . 1 1 118 118 GLU N N 84 121.206 121.206 119.266 1.940 17707
1200 1 3 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.598 -0.295 17707
1201 1 3 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.615 -3.186 17707
1202 1 3 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.852 -5.726 17707
1203 1 3 . 1 1 118 118 GLU H H 84 8.352 8.352 8.631 -0.279 17707
1204 1 3 . 1 1 119 119 LEU N N 85 127.970 127.970 118.330 9.640 17707
1205 1 3 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.742 -0.180 17707
1206 1 3 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.582 -1.059 17707
1207 1 3 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.564 -4.753 17707
1208 1 3 . 1 1 119 119 LEU H H 85 9.349 9.349 7.739 1.610 17707
1209 1 3 . 1 1 120 120 ARG N N 86 121.001 121.001 121.600 -0.599 17707
1210 1 3 . 1 1 120 120 ARG HA H 86 5.174 5.174 4.960 0.214 17707
1211 1 3 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.971 -3.376 17707
1212 1 3 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.449 -2.756 17707
1213 1 3 . 1 1 120 120 ARG H H 86 7.512 7.512 8.327 -0.815 17707
1214 1 3 . 1 1 121 121 VAL N N 87 125.999 125.999 124.178 1.821 17707
1215 1 3 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.801 0.137 17707
1216 1 3 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.368 -1.602 17707
1217 1 3 . 1 1 121 121 VAL H H 87 9.437 9.437 8.123 1.314 17707
1218 1 3 . 1 1 122 122 GLN N N 88 121.684 121.684 124.506 -2.822 17707
1219 1 3 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.697 0.272 17707
1220 1 3 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.137 -2.238 17707
1221 1 3 . 1 1 122 122 GLN CB C 88 31.157 31.157 32.943 -1.786 17707
1222 1 3 . 1 1 122 122 GLN H H 88 8.301 8.301 8.093 0.208 17707
1223 1 3 . 1 1 123 123 MET N N 89 121.937 121.937 119.626 2.311 17707
1224 1 3 . 1 1 123 123 MET HA H 89 4.529 4.529 4.333 0.196 17707
1225 1 3 . 1 1 123 123 MET CA C 89 53.328 53.328 55.104 -1.776 17707
1226 1 3 . 1 1 123 123 MET CB C 89 28.750 28.750 32.316 -3.566 17707
1227 1 3 . 1 1 123 123 MET H H 89 8.714 8.714 8.724 -0.010 17707
1228 1 3 . 1 1 124 124 ALA N N 90 126.984 126.984 128.684 -1.700 17707
1229 1 3 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.309 0.108 17707
1230 1 3 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.409 -2.606 17707
1231 1 3 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.845 -4.593 17707
1232 1 3 . 1 1 124 124 ALA H H 90 8.437 8.437 8.248 0.189 17707
1233 1 3 . 1 1 125 125 ARG H H 91 9.886 9.886 8.704 1.182 17707
1234 1 3 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.338 -2.602 17707
1235 1 3 . 1 1 128 128 ARG N N 94 120.921 120.921 119.652 1.269 17707
1236 1 3 . 1 1 128 128 ARG H H 94 8.245 8.245 8.265 -0.020 17707
1237 1 3 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.473 0.120 17707
1238 1 3 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.915 -3.926 17707
1239 1 3 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.435 -0.118 17707
1240 1 3 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.755 -3.360 17707
1241 1 3 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.609 -3.348 17707
1242 1 3 . 1 1 131 131 ASP N N 97 119.855 119.855 117.405 2.450 17707
1243 1 3 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.877 -0.385 17707
1244 1 3 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.543 -3.128 17707
1245 1 3 . 1 1 131 131 ASP CB C 97 38.553 38.553 41.996 -3.443 17707
1246 1 3 . 1 1 131 131 ASP H H 97 8.196 8.196 8.047 0.149 17707
1247 1 3 . 1 1 132 132 SER N N 98 116.150 116.150 119.774 -3.624 17707
1248 1 3 . 1 1 132 132 SER HA H 98 4.286 4.286 4.600 -0.314 17707
1249 1 3 . 1 1 132 132 SER CA C 98 55.729 55.729 58.364 -2.635 17707
1250 1 3 . 1 1 132 132 SER CB C 98 61.088 61.088 65.313 -4.225 17707
1251 1 3 . 1 1 132 132 SER H H 98 8.070 8.070 8.665 -0.595 17707
1252 1 3 . 1 1 133 133 HIS N N 99 119.771 119.771 115.893 3.878 17707
1253 1 3 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.283 -4.216 17707
1254 1 3 . 1 1 133 133 HIS H H 99 8.322 8.322 7.886 0.436 17707
1255 1 4 . 1 1 36 36 SER N N 2 116.365 116.365 117.254 -0.889 17707
1256 1 4 . 1 1 36 36 SER HA H 2 4.398 4.398 4.218 0.180 17707
1257 1 4 . 1 1 36 36 SER CA C 2 55.706 55.706 58.642 -2.937 17707
1258 1 4 . 1 1 36 36 SER CB C 2 61.260 61.260 63.561 -2.301 17707
1259 1 4 . 1 1 36 36 SER H H 2 8.112 8.112 8.359 -0.247 17707
1260 1 4 . 1 1 37 37 TYR N N 3 121.885 121.885 119.956 1.929 17707
1261 1 4 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.397 0.237 17707
1262 1 4 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.700 -2.517 17707
1263 1 4 . 1 1 37 37 TYR H H 3 8.155 8.155 8.600 -0.445 17707
1264 1 4 . 1 1 38 38 GLY N N 4 109.771 109.771 107.005 2.766 17707
1265 1 4 . 1 1 38 38 GLY H H 4 8.332 8.332 8.059 0.273 17707
1266 1 4 . 1 1 39 39 ARG N N 5 121.087 121.087 117.277 3.810 17707
1267 1 4 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.007 0.534 17707
1268 1 4 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.592 -4.397 17707
1269 1 4 . 1 1 39 39 ARG H H 5 8.224 8.224 8.323 -0.099 17707
1270 1 4 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.499 -0.260 17707
1271 1 4 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.867 -3.473 17707
1272 1 4 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.688 -0.304 17707
1273 1 4 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.113 -3.541 17707
1274 1 4 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.665 -0.392 17707
1275 1 4 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.558 -2.427 17707
1276 1 4 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.970 -4.873 17707
1277 1 4 . 1 1 43 43 ASP N N 9 119.118 119.118 116.655 2.463 17707
1278 1 4 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.727 -0.215 17707
1279 1 4 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.910 -2.369 17707
1280 1 4 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.301 -3.802 17707
1281 1 4 . 1 1 43 43 ASP H H 9 8.425 8.425 8.645 -0.220 17707
1282 1 4 . 1 1 44 44 VAL N N 10 118.278 118.278 113.264 5.014 17707
1283 1 4 . 1 1 44 44 VAL HA H 10 4.206 4.206 4.029 0.177 17707
1284 1 4 . 1 1 44 44 VAL CA C 10 59.163 59.163 63.452 -4.289 17707
1285 1 4 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.932 -2.934 17707
1286 1 4 . 1 1 44 44 VAL H H 10 7.882 7.882 7.917 -0.035 17707
1287 1 4 . 1 1 45 45 GLU N N 11 123.222 123.222 119.487 3.735 17707
1288 1 4 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.190 -0.142 17707
1289 1 4 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.963 -1.116 17707
1290 1 4 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.456 -2.009 17707
1291 1 4 . 1 1 45 45 GLU H H 11 8.328 8.328 8.215 0.113 17707
1292 1 4 . 1 1 46 46 GLY N N 12 108.993 108.993 105.830 3.163 17707
1293 1 4 . 1 1 46 46 GLY CA C 12 42.699 42.699 44.833 -2.134 17707
1294 1 4 . 1 1 46 46 GLY H H 12 8.361 8.361 7.848 0.513 17707
1295 1 4 . 1 1 47 47 MET N N 13 118.074 118.074 119.486 -1.412 17707
1296 1 4 . 1 1 47 47 MET HA H 13 4.584 4.584 4.582 0.002 17707
1297 1 4 . 1 1 47 47 MET CB C 13 31.447 31.447 33.267 -1.820 17707
1298 1 4 . 1 1 47 47 MET H H 13 7.493 7.493 7.533 -0.040 17707
1299 1 4 . 1 1 48 48 THR N N 14 118.968 118.968 116.315 2.653 17707
1300 1 4 . 1 1 48 48 THR HA H 14 4.534 4.534 4.119 0.415 17707
1301 1 4 . 1 1 48 48 THR CA C 14 60.656 60.656 65.505 -4.849 17707
1302 1 4 . 1 1 48 48 THR CB C 14 67.544 67.544 68.635 -1.091 17707
1303 1 4 . 1 1 48 48 THR H H 14 8.993 8.993 8.405 0.588 17707
1304 1 4 . 1 1 49 49 SER N N 15 123.365 123.365 112.943 10.422 17707
1305 1 4 . 1 1 49 49 SER HA H 15 5.017 5.017 4.120 0.897 17707
1306 1 4 . 1 1 49 49 SER CB C 15 61.787 61.787 61.772 0.015 17707
1307 1 4 . 1 1 49 49 SER H H 15 9.097 9.097 7.994 1.103 17707
1308 1 4 . 1 1 50 50 LEU N N 16 124.488 124.488 121.665 2.823 17707
1309 1 4 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.118 0.890 17707
1310 1 4 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.603 -5.244 17707
1311 1 4 . 1 1 50 50 LEU CB C 16 41.102 41.102 42.261 -1.159 17707
1312 1 4 . 1 1 50 50 LEU H H 16 9.495 9.495 7.341 2.154 17707
1313 1 4 . 1 1 51 51 LYS N N 17 123.276 123.276 125.056 -1.780 17707
1314 1 4 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.012 -0.131 17707
1315 1 4 . 1 1 51 51 LYS CA C 17 52.425 52.425 53.976 -1.551 17707
1316 1 4 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.762 -3.431 17707
1317 1 4 . 1 1 51 51 LYS H H 17 9.239 9.239 7.964 1.275 17707
1318 1 4 . 1 1 52 52 VAL N N 18 130.086 130.086 116.208 13.878 17707
1319 1 4 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.899 -0.125 17707
1320 1 4 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.378 -1.152 17707
1321 1 4 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.046 -4.124 17707
1322 1 4 . 1 1 52 52 VAL H H 18 9.136 9.136 7.597 1.539 17707
1323 1 4 . 1 1 53 53 ASP N N 19 125.621 125.621 122.153 3.468 17707
1324 1 4 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.020 0.158 17707
1325 1 4 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.764 -3.150 17707
1326 1 4 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.955 -2.408 17707
1327 1 4 . 1 1 53 53 ASP H H 19 9.312 9.312 8.586 0.726 17707
1328 1 4 . 1 1 54 54 ASN N N 20 112.496 112.496 115.391 -2.895 17707
1329 1 4 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.536 -0.059 17707
1330 1 4 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.648 -2.632 17707
1331 1 4 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.582 -2.963 17707
1332 1 4 . 1 1 54 54 ASN H H 20 8.438 8.438 8.653 -0.215 17707
1333 1 4 . 1 1 55 55 LEU N N 21 114.844 114.844 119.299 -4.455 17707
1334 1 4 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.193 0.170 17707
1335 1 4 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.650 -4.643 17707
1336 1 4 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.929 0.087 17707
1337 1 4 . 1 1 55 55 LEU H H 21 7.477 7.477 7.785 -0.308 17707
1338 1 4 . 1 1 56 56 THR N N 22 111.571 111.571 117.327 -5.756 17707
1339 1 4 . 1 1 56 56 THR HA H 22 4.361 4.361 4.335 0.026 17707
1340 1 4 . 1 1 56 56 THR CA C 22 58.212 58.212 61.920 -3.708 17707
1341 1 4 . 1 1 56 56 THR CB C 22 68.233 68.233 70.191 -1.958 17707
1342 1 4 . 1 1 56 56 THR H H 22 8.341 8.341 8.130 0.211 17707
1343 1 4 . 1 1 57 57 TYR N N 23 122.008 122.008 118.239 3.769 17707
1344 1 4 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.324 -0.014 17707
1345 1 4 . 1 1 57 57 TYR CA C 23 56.576 56.576 58.982 -2.406 17707
1346 1 4 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.444 -3.259 17707
1347 1 4 . 1 1 57 57 TYR H H 23 8.587 8.587 8.863 -0.276 17707
1348 1 4 . 1 1 58 58 ARG N N 24 114.767 114.767 115.158 -0.391 17707
1349 1 4 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.455 -0.192 17707
1350 1 4 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.577 -2.481 17707
1351 1 4 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.478 -3.074 17707
1352 1 4 . 1 1 58 58 ARG H H 24 7.262 7.262 7.674 -0.412 17707
1353 1 4 . 1 1 59 59 THR N N 25 119.267 119.267 116.386 2.881 17707
1354 1 4 . 1 1 59 59 THR HA H 25 4.015 4.015 4.761 -0.746 17707
1355 1 4 . 1 1 59 59 THR CA C 25 62.247 62.247 61.175 1.072 17707
1356 1 4 . 1 1 59 59 THR CB C 25 65.785 65.785 71.778 -5.994 17707
1357 1 4 . 1 1 59 59 THR H H 25 7.348 7.348 7.725 -0.377 17707
1358 1 4 . 1 1 60 60 SER N N 26 124.341 124.341 114.011 10.330 17707
1359 1 4 . 1 1 60 60 SER HA H 26 4.861 4.861 4.952 -0.091 17707
1360 1 4 . 1 1 60 60 SER CA C 26 52.864 52.864 55.214 -2.350 17707
1361 1 4 . 1 1 60 60 SER CB C 26 61.783 61.783 64.848 -3.065 17707
1362 1 4 . 1 1 60 60 SER H H 26 8.319 8.319 8.314 0.005 17707
1363 1 4 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.475 -0.465 17707
1364 1 4 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.322 -2.239 17707
1365 1 4 . 1 1 62 62 ASP N N 28 115.615 115.615 117.271 -1.656 17707
1366 1 4 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.488 -0.112 17707
1367 1 4 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.518 -2.837 17707
1368 1 4 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.840 -2.588 17707
1369 1 4 . 1 1 62 62 ASP H H 28 8.020 8.020 8.594 -0.574 17707
1370 1 4 . 1 1 63 63 THR N N 29 118.079 118.079 117.301 0.778 17707
1371 1 4 . 1 1 63 63 THR HA H 29 3.902 3.902 4.230 -0.328 17707
1372 1 4 . 1 1 63 63 THR CA C 29 63.729 63.729 66.667 -2.938 17707
1373 1 4 . 1 1 63 63 THR CB C 29 65.634 65.634 68.924 -3.290 17707
1374 1 4 . 1 1 63 63 THR H H 29 7.766 7.766 7.411 0.355 17707
1375 1 4 . 1 1 64 64 LEU N N 30 118.985 118.985 120.962 -1.977 17707
1376 1 4 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.225 -0.172 17707
1377 1 4 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.880 -2.902 17707
1378 1 4 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.849 -1.018 17707
1379 1 4 . 1 1 64 64 LEU H H 30 7.495 7.495 8.365 -0.870 17707
1380 1 4 . 1 1 65 65 ARG N N 31 119.245 119.245 119.940 -0.695 17707
1381 1 4 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.156 -0.512 17707
1382 1 4 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.718 -0.361 17707
1383 1 4 . 1 1 65 65 ARG H H 31 8.583 8.583 7.725 0.858 17707
1384 1 4 . 1 1 66 66 ARG N N 32 115.695 115.695 119.687 -3.992 17707
1385 1 4 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.168 -0.096 17707
1386 1 4 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.129 -2.455 17707
1387 1 4 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.786 -2.228 17707
1388 1 4 . 1 1 66 66 ARG H H 32 7.707 7.707 7.737 -0.030 17707
1389 1 4 . 1 1 67 67 VAL N N 33 115.500 115.500 118.709 -3.209 17707
1390 1 4 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.924 -0.032 17707
1391 1 4 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.553 -2.897 17707
1392 1 4 . 1 1 67 67 VAL CB C 33 29.556 29.556 31.921 -2.365 17707
1393 1 4 . 1 1 67 67 VAL H H 33 7.739 7.739 8.570 -0.831 17707
1394 1 4 . 1 1 68 68 PHE N N 34 116.290 116.290 117.113 -0.823 17707
1395 1 4 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.980 -0.482 17707
1396 1 4 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.570 0.458 17707
1397 1 4 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.675 -4.483 17707
1398 1 4 . 1 1 68 68 PHE H H 34 8.253 8.253 7.798 0.455 17707
1399 1 4 . 1 1 69 69 GLU N N 35 119.333 119.333 121.677 -2.344 17707
1400 1 4 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.040 0.995 17707
1401 1 4 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.460 -4.478 17707
1402 1 4 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.468 -3.294 17707
1403 1 4 . 1 1 69 69 GLU H H 35 8.583 8.583 8.623 -0.040 17707
1404 1 4 . 1 1 70 70 LYS N N 36 118.341 118.341 118.260 0.081 17707
1405 1 4 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.126 -0.234 17707
1406 1 4 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.321 -2.861 17707
1407 1 4 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.713 -2.489 17707
1408 1 4 . 1 1 70 70 LYS H H 36 6.871 6.871 7.986 -1.115 17707
1409 1 4 . 1 1 71 71 TYR N N 37 115.014 115.014 118.879 -3.865 17707
1410 1 4 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.373 -0.066 17707
1411 1 4 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.095 -3.861 17707
1412 1 4 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.090 -2.455 17707
1413 1 4 . 1 1 71 71 TYR H H 37 7.611 7.611 7.662 -0.051 17707
1414 1 4 . 1 1 72 72 GLY N N 38 104.741 104.741 105.724 -0.983 17707
1415 1 4 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.428 -3.799 17707
1416 1 4 . 1 1 72 72 GLY H H 38 7.356 7.356 8.027 -0.671 17707
1417 1 4 . 1 1 73 73 ARG N N 39 115.783 115.783 119.224 -3.441 17707
1418 1 4 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.582 -0.214 17707
1419 1 4 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.101 -0.398 17707
1420 1 4 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.772 -4.920 17707
1421 1 4 . 1 1 73 73 ARG H H 39 7.990 7.990 8.094 -0.104 17707
1422 1 4 . 1 1 74 74 VAL N N 40 130.246 130.246 118.618 11.628 17707
1423 1 4 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.920 -0.221 17707
1424 1 4 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.364 -1.881 17707
1425 1 4 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.811 -4.512 17707
1426 1 4 . 1 1 74 74 VAL H H 40 8.846 8.846 8.406 0.440 17707
1427 1 4 . 1 1 75 75 GLY N N 41 114.952 114.952 113.371 1.581 17707
1428 1 4 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.730 -1.825 17707
1429 1 4 . 1 1 75 75 GLY H H 41 8.943 8.943 8.704 0.239 17707
1430 1 4 . 1 1 76 76 ASP N N 42 115.344 115.344 117.940 -2.596 17707
1431 1 4 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.770 -0.058 17707
1432 1 4 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.594 -1.080 17707
1433 1 4 . 1 1 76 76 ASP H H 42 7.224 7.224 7.475 -0.251 17707
1434 1 4 . 1 1 77 77 VAL N N 43 122.703 122.703 120.851 1.852 17707
1435 1 4 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.547 0.176 17707
1436 1 4 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.910 -2.563 17707
1437 1 4 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.066 -1.484 17707
1438 1 4 . 1 1 77 77 VAL H H 43 7.551 7.551 8.122 -0.571 17707
1439 1 4 . 1 1 78 78 TYR N N 44 125.956 125.956 125.091 0.865 17707
1440 1 4 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.748 0.223 17707
1441 1 4 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.893 -2.587 17707
1442 1 4 . 1 1 78 78 TYR H H 44 9.023 9.023 7.934 1.089 17707
1443 1 4 . 1 1 79 79 ILE N N 45 129.856 129.856 119.491 10.365 17707
1444 1 4 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.144 0.112 17707
1445 1 4 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.620 -2.222 17707
1446 1 4 . 1 1 79 79 ILE CB C 45 36.314 36.314 38.929 -2.615 17707
1447 1 4 . 1 1 79 79 ILE H H 45 8.231 8.231 8.183 0.048 17707
1448 1 4 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.037 -0.133 17707
1449 1 4 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.339 -3.698 17707
1450 1 4 . 1 1 81 81 ARG H H 47 8.593 8.593 7.693 0.900 17707
1451 1 4 . 1 1 82 82 ASP N N 48 125.712 125.712 123.901 1.811 17707
1452 1 4 . 1 1 82 82 ASP HA H 48 4.382 4.382 3.866 0.516 17707
1453 1 4 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.163 -2.704 17707
1454 1 4 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.111 2.197 17707
1455 1 4 . 1 1 82 82 ASP H H 48 8.948 8.948 8.623 0.325 17707
1456 1 4 . 1 1 83 83 ARG N N 49 125.207 125.207 117.149 8.058 17707
1457 1 4 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.043 -0.347 17707
1458 1 4 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.862 -2.248 17707
1459 1 4 . 1 1 83 83 ARG H H 49 8.688 8.688 8.020 0.668 17707
1460 1 4 . 1 1 84 84 TYR N N 50 117.911 117.911 111.284 6.627 17707
1461 1 4 . 1 1 84 84 TYR HA H 50 4.594 4.594 5.020 -0.426 17707
1462 1 4 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.146 0.620 17707
1463 1 4 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.064 -2.877 17707
1464 1 4 . 1 1 84 84 TYR H H 50 8.449 8.449 6.723 1.726 17707
1465 1 4 . 1 1 85 85 THR N N 51 110.450 110.450 112.938 -2.488 17707
1466 1 4 . 1 1 85 85 THR HA H 51 4.230 4.230 4.501 -0.271 17707
1467 1 4 . 1 1 85 85 THR CA C 51 59.620 59.620 61.982 -2.362 17707
1468 1 4 . 1 1 85 85 THR CB C 51 67.745 67.745 70.869 -3.124 17707
1469 1 4 . 1 1 85 85 THR H H 51 9.141 9.141 7.751 1.390 17707
1470 1 4 . 1 1 86 86 LYS N N 52 113.570 113.570 118.274 -4.704 17707
1471 1 4 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.873 0.082 17707
1472 1 4 . 1 1 86 86 LYS CA C 52 54.428 54.428 58.047 -3.619 17707
1473 1 4 . 1 1 86 86 LYS H H 52 7.821 7.821 8.305 -0.484 17707
1474 1 4 . 1 1 87 87 GLU N N 53 118.364 118.364 117.800 0.564 17707
1475 1 4 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.037 0.343 17707
1476 1 4 . 1 1 87 87 GLU CA C 53 52.641 52.641 58.500 -5.859 17707
1477 1 4 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.264 -0.423 17707
1478 1 4 . 1 1 87 87 GLU H H 53 7.714 7.714 7.557 0.157 17707
1479 1 4 . 1 1 88 88 SER N N 54 115.692 115.692 114.933 0.759 17707
1480 1 4 . 1 1 88 88 SER CB C 54 61.369 61.369 63.320 -1.951 17707
1481 1 4 . 1 1 88 88 SER H H 54 8.705 8.705 8.088 0.617 17707
1482 1 4 . 1 1 89 89 ARG N N 55 122.170 122.170 119.160 3.010 17707
1483 1 4 . 1 1 89 89 ARG HA H 55 4.317 4.317 3.948 0.369 17707
1484 1 4 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.626 -2.832 17707
1485 1 4 . 1 1 89 89 ARG H H 55 7.934 7.934 8.434 -0.500 17707
1486 1 4 . 1 1 90 90 GLY N N 56 106.948 106.948 104.385 2.563 17707
1487 1 4 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.893 -2.618 17707
1488 1 4 . 1 1 90 90 GLY H H 56 8.557 8.557 8.419 0.138 17707
1489 1 4 . 1 1 91 91 PHE N N 57 113.487 113.487 113.547 -0.060 17707
1490 1 4 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.826 0.766 17707
1491 1 4 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.310 -3.399 17707
1492 1 4 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.760 -0.982 17707
1493 1 4 . 1 1 91 91 PHE H H 57 6.936 6.936 7.483 -0.547 17707
1494 1 4 . 1 1 92 92 ALA N N 58 117.841 117.841 121.639 -3.798 17707
1495 1 4 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.439 0.309 17707
1496 1 4 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.382 -4.847 17707
1497 1 4 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.860 2.738 17707
1498 1 4 . 1 1 92 92 ALA H H 58 8.848 8.848 8.253 0.595 17707
1499 1 4 . 1 1 93 93 PHE N N 59 115.981 115.981 127.453 -11.472 17707
1500 1 4 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.849 0.824 17707
1501 1 4 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.908 -4.046 17707
1502 1 4 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.342 -1.444 17707
1503 1 4 . 1 1 93 93 PHE H H 59 8.824 8.824 8.047 0.777 17707
1504 1 4 . 1 1 94 94 VAL N N 60 123.120 123.120 127.229 -4.109 17707
1505 1 4 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.283 0.021 17707
1506 1 4 . 1 1 94 94 VAL CA C 60 58.931 58.931 61.880 -2.950 17707
1507 1 4 . 1 1 94 94 VAL CB C 60 31.429 31.429 32.864 -1.435 17707
1508 1 4 . 1 1 94 94 VAL H H 60 8.581 8.581 7.798 0.783 17707
1509 1 4 . 1 1 95 95 ARG N N 61 123.954 123.954 121.604 2.350 17707
1510 1 4 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.078 0.474 17707
1511 1 4 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.566 -4.051 17707
1512 1 4 . 1 1 95 95 ARG H H 61 8.727 8.727 8.781 -0.054 17707
1513 1 4 . 1 1 96 96 PHE N N 62 121.921 121.921 122.962 -1.041 17707
1514 1 4 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.714 0.189 17707
1515 1 4 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.983 -1.417 17707
1516 1 4 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.643 -2.757 17707
1517 1 4 . 1 1 96 96 PHE H H 62 9.127 9.127 9.018 0.109 17707
1518 1 4 . 1 1 97 97 HIS N N 63 120.064 120.064 118.399 1.665 17707
1519 1 4 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.691 -0.353 17707
1520 1 4 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.924 0.337 17707
1521 1 4 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.504 -4.216 17707
1522 1 4 . 1 1 97 97 HIS H H 63 7.982 7.982 8.732 -0.750 17707
1523 1 4 . 1 1 98 98 ASP N N 64 119.665 119.665 119.544 0.121 17707
1524 1 4 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.983 0.076 17707
1525 1 4 . 1 1 98 98 ASP CA C 64 50.195 50.195 53.792 -3.597 17707
1526 1 4 . 1 1 98 98 ASP CB C 64 41.098 41.098 43.460 -2.362 17707
1527 1 4 . 1 1 98 98 ASP H H 64 9.096 9.096 8.091 1.005 17707
1528 1 4 . 1 1 99 99 LYS N N 65 127.804 127.804 126.052 1.752 17707
1529 1 4 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.939 -0.095 17707
1530 1 4 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.697 -2.301 17707
1531 1 4 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.509 -2.263 17707
1532 1 4 . 1 1 99 99 LYS H H 65 8.784 8.784 8.885 -0.101 17707
1533 1 4 . 1 1 100 100 ARG N N 66 118.451 118.451 116.819 1.632 17707
1534 1 4 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.109 -0.039 17707
1535 1 4 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.973 -2.834 17707
1536 1 4 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.950 -2.183 17707
1537 1 4 . 1 1 100 100 ARG H H 66 8.600 8.600 8.581 0.019 17707
1538 1 4 . 1 1 101 101 ASP N N 67 119.627 119.627 119.496 0.131 17707
1539 1 4 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.664 -0.470 17707
1540 1 4 . 1 1 101 101 ASP CA C 67 54.233 54.233 57.011 -2.778 17707
1541 1 4 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.974 -2.978 17707
1542 1 4 . 1 1 101 101 ASP H H 67 7.089 7.089 7.831 -0.742 17707
1543 1 4 . 1 1 102 102 ALA N N 68 119.421 119.421 123.802 -4.381 17707
1544 1 4 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.546 -0.582 17707
1545 1 4 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.034 -3.331 17707
1546 1 4 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.734 -3.066 17707
1547 1 4 . 1 1 102 102 ALA H H 68 6.832 6.832 7.810 -0.978 17707
1548 1 4 . 1 1 103 103 GLU N N 69 117.506 117.506 117.422 0.084 17707
1549 1 4 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.943 -0.285 17707
1550 1 4 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.823 -1.661 17707
1551 1 4 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.424 -2.999 17707
1552 1 4 . 1 1 103 103 GLU H H 69 8.011 8.011 8.625 -0.614 17707
1553 1 4 . 1 1 104 104 ASP N N 70 120.487 120.487 120.756 -0.269 17707
1554 1 4 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.410 -0.144 17707
1555 1 4 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.955 -2.467 17707
1556 1 4 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.014 -3.552 17707
1557 1 4 . 1 1 104 104 ASP H H 70 8.020 8.020 7.635 0.385 17707
1558 1 4 . 1 1 105 105 ALA N N 71 122.179 122.179 120.495 1.684 17707
1559 1 4 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.317 -0.542 17707
1560 1 4 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.543 -2.798 17707
1561 1 4 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.511 -1.303 17707
1562 1 4 . 1 1 105 105 ALA H H 71 8.118 8.118 7.286 0.832 17707
1563 1 4 . 1 1 106 106 MET N N 72 118.380 118.380 115.426 2.954 17707
1564 1 4 . 1 1 106 106 MET HA H 72 3.655 3.655 4.196 -0.541 17707
1565 1 4 . 1 1 106 106 MET CA C 72 57.188 57.188 58.503 -1.315 17707
1566 1 4 . 1 1 106 106 MET CB C 72 30.409 30.409 32.752 -2.344 17707
1567 1 4 . 1 1 106 106 MET H H 72 8.279 8.279 7.472 0.807 17707
1568 1 4 . 1 1 107 107 ASP N N 73 117.030 117.030 119.984 -2.954 17707
1569 1 4 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.520 -0.193 17707
1570 1 4 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.769 -1.710 17707
1571 1 4 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.949 -2.856 17707
1572 1 4 . 1 1 107 107 ASP H H 73 7.749 7.749 7.901 -0.152 17707
1573 1 4 . 1 1 108 108 ALA N N 74 117.995 117.995 119.060 -1.065 17707
1574 1 4 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.631 -0.507 17707
1575 1 4 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.752 -1.418 17707
1576 1 4 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.362 -2.703 17707
1577 1 4 . 1 1 108 108 ALA H H 74 7.347 7.347 7.436 -0.089 17707
1578 1 4 . 1 1 109 109 MET N N 75 112.202 112.202 116.642 -4.440 17707
1579 1 4 . 1 1 109 109 MET HA H 75 4.742 4.742 4.543 0.199 17707
1580 1 4 . 1 1 109 109 MET CA C 75 50.546 50.546 55.687 -5.141 17707
1581 1 4 . 1 1 109 109 MET H H 75 8.057 8.057 7.652 0.405 17707
1582 1 4 . 1 1 110 110 ASP N N 76 120.043 120.043 120.612 -0.569 17707
1583 1 4 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.438 -0.052 17707
1584 1 4 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.376 -1.431 17707
1585 1 4 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.156 -2.552 17707
1586 1 4 . 1 1 110 110 ASP H H 76 7.825 7.825 7.614 0.211 17707
1587 1 4 . 1 1 111 111 GLY N N 77 117.743 117.743 111.943 5.800 17707
1588 1 4 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.680 -2.664 17707
1589 1 4 . 1 1 111 111 GLY H H 77 8.636 8.636 8.220 0.416 17707
1590 1 4 . 1 1 112 112 ALA N N 78 123.755 123.755 122.856 0.899 17707
1591 1 4 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.488 -0.169 17707
1592 1 4 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.227 -2.191 17707
1593 1 4 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.530 -1.082 17707
1594 1 4 . 1 1 112 112 ALA H H 78 7.909 7.909 7.789 0.120 17707
1595 1 4 . 1 1 113 113 VAL N N 79 118.703 118.703 119.825 -1.122 17707
1596 1 4 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.012 0.601 17707
1597 1 4 . 1 1 113 113 VAL CB C 79 29.572 29.572 33.157 -3.585 17707
1598 1 4 . 1 1 113 113 VAL H H 79 8.083 8.083 7.546 0.537 17707
1599 1 4 . 1 1 114 114 LEU N N 80 129.473 129.473 118.994 10.479 17707
1600 1 4 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.662 -0.119 17707
1601 1 4 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.079 -4.137 17707
1602 1 4 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.967 -0.382 17707
1603 1 4 . 1 1 114 114 LEU H H 80 8.895 8.895 8.454 0.441 17707
1604 1 4 . 1 1 115 115 ASP N N 81 129.660 129.660 119.540 10.120 17707
1605 1 4 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.833 -0.605 17707
1606 1 4 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.262 -2.010 17707
1607 1 4 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.674 -4.402 17707
1608 1 4 . 1 1 115 115 ASP H H 81 9.428 9.428 7.765 1.663 17707
1609 1 4 . 1 1 116 116 GLY N N 82 100.557 100.557 107.268 -6.711 17707
1610 1 4 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.173 -2.292 17707
1611 1 4 . 1 1 116 116 GLY H H 82 7.978 7.978 8.410 -0.432 17707
1612 1 4 . 1 1 117 117 ARG N N 83 120.104 120.104 117.563 2.541 17707
1613 1 4 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.604 -0.054 17707
1614 1 4 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.590 -4.484 17707
1615 1 4 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.130 -1.485 17707
1616 1 4 . 1 1 117 117 ARG H H 83 7.493 7.493 7.576 -0.083 17707
1617 1 4 . 1 1 118 118 GLU N N 84 121.206 121.206 119.550 1.656 17707
1618 1 4 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.636 -0.333 17707
1619 1 4 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.613 -3.184 17707
1620 1 4 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.677 -5.551 17707
1621 1 4 . 1 1 118 118 GLU H H 84 8.352 8.352 8.678 -0.326 17707
1622 1 4 . 1 1 119 119 LEU N N 85 127.970 127.970 119.102 8.868 17707
1623 1 4 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.820 -0.258 17707
1624 1 4 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.455 -0.932 17707
1625 1 4 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.202 -4.391 17707
1626 1 4 . 1 1 119 119 LEU H H 85 9.349 9.349 7.790 1.559 17707
1627 1 4 . 1 1 120 120 ARG N N 86 121.001 121.001 121.688 -0.687 17707
1628 1 4 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.018 0.156 17707
1629 1 4 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.955 -3.360 17707
1630 1 4 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.486 -2.793 17707
1631 1 4 . 1 1 120 120 ARG H H 86 7.512 7.512 8.363 -0.851 17707
1632 1 4 . 1 1 121 121 VAL N N 87 125.999 125.999 123.001 2.998 17707
1633 1 4 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.817 0.121 17707
1634 1 4 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.044 -1.278 17707
1635 1 4 . 1 1 121 121 VAL H H 87 9.437 9.437 8.062 1.375 17707
1636 1 4 . 1 1 122 122 GLN N N 88 121.684 121.684 126.635 -4.951 17707
1637 1 4 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.541 0.428 17707
1638 1 4 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.371 -3.472 17707
1639 1 4 . 1 1 122 122 GLN CB C 88 31.157 31.157 32.816 -1.659 17707
1640 1 4 . 1 1 122 122 GLN H H 88 8.301 8.301 8.217 0.084 17707
1641 1 4 . 1 1 123 123 MET N N 89 121.937 121.937 120.171 1.766 17707
1642 1 4 . 1 1 123 123 MET HA H 89 4.529 4.529 4.304 0.225 17707
1643 1 4 . 1 1 123 123 MET CA C 89 53.328 53.328 55.570 -2.242 17707
1644 1 4 . 1 1 123 123 MET CB C 89 28.750 28.750 32.452 -3.702 17707
1645 1 4 . 1 1 123 123 MET H H 89 8.714 8.714 8.781 -0.067 17707
1646 1 4 . 1 1 124 124 ALA N N 90 126.984 126.984 126.878 0.106 17707
1647 1 4 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.194 0.223 17707
1648 1 4 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.529 -2.727 17707
1649 1 4 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.550 -4.298 17707
1650 1 4 . 1 1 124 124 ALA H H 90 8.437 8.437 8.222 0.215 17707
1651 1 4 . 1 1 125 125 ARG H H 91 9.886 9.886 8.663 1.223 17707
1652 1 4 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.603 -2.867 17707
1653 1 4 . 1 1 128 128 ARG N N 94 120.921 120.921 120.658 0.263 17707
1654 1 4 . 1 1 128 128 ARG H H 94 8.245 8.245 8.290 -0.045 17707
1655 1 4 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.660 -0.067 17707
1656 1 4 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.166 -3.177 17707
1657 1 4 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.387 -0.070 17707
1658 1 4 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.061 -3.666 17707
1659 1 4 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.616 -3.355 17707
1660 1 4 . 1 1 131 131 ASP N N 97 119.855 119.855 116.138 3.717 17707
1661 1 4 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.724 -0.232 17707
1662 1 4 . 1 1 131 131 ASP CA C 97 51.415 51.415 52.679 -1.264 17707
1663 1 4 . 1 1 131 131 ASP CB C 97 38.553 38.553 43.359 -4.806 17707
1664 1 4 . 1 1 131 131 ASP H H 97 8.196 8.196 7.432 0.764 17707
1665 1 4 . 1 1 132 132 SER N N 98 116.150 116.150 116.317 -0.167 17707
1666 1 4 . 1 1 132 132 SER HA H 98 4.286 4.286 4.411 -0.125 17707
1667 1 4 . 1 1 132 132 SER CA C 98 55.729 55.729 59.938 -4.209 17707
1668 1 4 . 1 1 132 132 SER CB C 98 61.088 61.088 63.987 -2.900 17707
1669 1 4 . 1 1 132 132 SER H H 98 8.070 8.070 8.507 -0.437 17707
1670 1 4 . 1 1 133 133 HIS N N 99 119.771 119.771 117.118 2.653 17707
1671 1 4 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.924 -4.857 17707
1672 1 4 . 1 1 133 133 HIS H H 99 8.322 8.322 8.382 -0.060 17707
1673 1 5 . 1 1 36 36 SER N N 2 116.365 116.365 119.104 -2.739 17707
1674 1 5 . 1 1 36 36 SER HA H 2 4.398 4.398 4.285 0.113 17707
1675 1 5 . 1 1 36 36 SER CA C 2 55.706 55.706 58.706 -3.000 17707
1676 1 5 . 1 1 36 36 SER CB C 2 61.260 61.260 63.901 -2.641 17707
1677 1 5 . 1 1 36 36 SER H H 2 8.112 8.112 8.545 -0.433 17707
1678 1 5 . 1 1 37 37 TYR N N 3 121.885 121.885 117.675 4.210 17707
1679 1 5 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.132 0.502 17707
1680 1 5 . 1 1 37 37 TYR CB C 3 36.183 36.183 36.065 0.118 17707
1681 1 5 . 1 1 37 37 TYR H H 3 8.155 8.155 8.552 -0.397 17707
1682 1 5 . 1 1 38 38 GLY N N 4 109.771 109.771 106.841 2.930 17707
1683 1 5 . 1 1 38 38 GLY H H 4 8.332 8.332 8.101 0.231 17707
1684 1 5 . 1 1 39 39 ARG N N 5 121.087 121.087 116.297 4.790 17707
1685 1 5 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.584 -0.043 17707
1686 1 5 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.450 -3.255 17707
1687 1 5 . 1 1 39 39 ARG H H 5 8.224 8.224 8.166 0.058 17707
1688 1 5 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.644 -0.405 17707
1689 1 5 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.984 -3.590 17707
1690 1 5 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.625 -0.241 17707
1691 1 5 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.283 -3.711 17707
1692 1 5 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.701 -0.428 17707
1693 1 5 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.588 -2.457 17707
1694 1 5 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.508 -4.412 17707
1695 1 5 . 1 1 43 43 ASP N N 9 119.118 119.118 118.060 1.058 17707
1696 1 5 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.828 -0.316 17707
1697 1 5 . 1 1 43 43 ASP CA C 9 51.541 51.541 54.196 -2.655 17707
1698 1 5 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.616 -3.117 17707
1699 1 5 . 1 1 43 43 ASP H H 9 8.425 8.425 8.729 -0.304 17707
1700 1 5 . 1 1 44 44 VAL N N 10 118.278 118.278 117.238 1.040 17707
1701 1 5 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.867 0.339 17707
1702 1 5 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.068 -4.905 17707
1703 1 5 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.487 -2.489 17707
1704 1 5 . 1 1 44 44 VAL H H 10 7.882 7.882 8.066 -0.184 17707
1705 1 5 . 1 1 45 45 GLU N N 11 123.222 123.222 119.366 3.856 17707
1706 1 5 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.230 -0.182 17707
1707 1 5 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.773 -0.926 17707
1708 1 5 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.886 -2.439 17707
1709 1 5 . 1 1 45 45 GLU H H 11 8.328 8.328 8.527 -0.199 17707
1710 1 5 . 1 1 46 46 GLY N N 12 108.993 108.993 109.284 -0.291 17707
1711 1 5 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.300 -2.601 17707
1712 1 5 . 1 1 46 46 GLY H H 12 8.361 8.361 7.871 0.490 17707
1713 1 5 . 1 1 47 47 MET N N 13 118.074 118.074 118.251 -0.177 17707
1714 1 5 . 1 1 47 47 MET HA H 13 4.584 4.584 5.021 -0.437 17707
1715 1 5 . 1 1 47 47 MET CB C 13 31.447 31.447 34.701 -3.254 17707
1716 1 5 . 1 1 47 47 MET H H 13 7.493 7.493 7.646 -0.153 17707
1717 1 5 . 1 1 48 48 THR N N 14 118.968 118.968 115.937 3.031 17707
1718 1 5 . 1 1 48 48 THR HA H 14 4.534 4.534 4.159 0.375 17707
1719 1 5 . 1 1 48 48 THR CA C 14 60.656 60.656 64.389 -3.734 17707
1720 1 5 . 1 1 48 48 THR CB C 14 67.544 67.544 69.052 -1.508 17707
1721 1 5 . 1 1 48 48 THR H H 14 8.993 8.993 8.617 0.376 17707
1722 1 5 . 1 1 49 49 SER N N 15 123.365 123.365 114.677 8.688 17707
1723 1 5 . 1 1 49 49 SER HA H 15 5.017 5.017 4.137 0.880 17707
1724 1 5 . 1 1 49 49 SER CB C 15 61.787 61.787 61.777 0.010 17707
1725 1 5 . 1 1 49 49 SER H H 15 9.097 9.097 7.999 1.098 17707
1726 1 5 . 1 1 50 50 LEU N N 16 124.488 124.488 121.623 2.865 17707
1727 1 5 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.074 0.934 17707
1728 1 5 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.261 -5.902 17707
1729 1 5 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.402 -2.300 17707
1730 1 5 . 1 1 50 50 LEU H H 16 9.495 9.495 7.477 2.018 17707
1731 1 5 . 1 1 51 51 LYS N N 17 123.276 123.276 118.878 4.398 17707
1732 1 5 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.314 -0.433 17707
1733 1 5 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.028 -1.603 17707
1734 1 5 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.352 -4.021 17707
1735 1 5 . 1 1 51 51 LYS H H 17 9.239 9.239 8.944 0.295 17707
1736 1 5 . 1 1 52 52 VAL N N 18 130.086 130.086 120.644 9.442 17707
1737 1 5 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.623 0.151 17707
1738 1 5 . 1 1 52 52 VAL CA C 18 58.226 58.226 61.135 -2.909 17707
1739 1 5 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.267 -4.345 17707
1740 1 5 . 1 1 52 52 VAL H H 18 9.136 9.136 7.768 1.368 17707
1741 1 5 . 1 1 53 53 ASP N N 19 125.621 125.621 123.870 1.751 17707
1742 1 5 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.115 0.063 17707
1743 1 5 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.933 -2.319 17707
1744 1 5 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.410 -2.863 17707
1745 1 5 . 1 1 53 53 ASP H H 19 9.312 9.312 8.737 0.575 17707
1746 1 5 . 1 1 54 54 ASN N N 20 112.496 112.496 115.348 -2.852 17707
1747 1 5 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.460 0.017 17707
1748 1 5 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.764 -2.748 17707
1749 1 5 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.614 -2.994 17707
1750 1 5 . 1 1 54 54 ASN H H 20 8.438 8.438 8.705 -0.267 17707
1751 1 5 . 1 1 55 55 LEU N N 21 114.844 114.844 119.186 -4.342 17707
1752 1 5 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.171 0.192 17707
1753 1 5 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.719 -4.712 17707
1754 1 5 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.849 0.167 17707
1755 1 5 . 1 1 55 55 LEU H H 21 7.477 7.477 7.791 -0.314 17707
1756 1 5 . 1 1 56 56 THR N N 22 111.571 111.571 117.603 -6.032 17707
1757 1 5 . 1 1 56 56 THR HA H 22 4.361 4.361 4.349 0.012 17707
1758 1 5 . 1 1 56 56 THR CA C 22 58.212 58.212 62.246 -4.034 17707
1759 1 5 . 1 1 56 56 THR CB C 22 68.233 68.233 70.209 -1.976 17707
1760 1 5 . 1 1 56 56 THR H H 22 8.341 8.341 8.142 0.199 17707
1761 1 5 . 1 1 57 57 TYR N N 23 122.008 122.008 119.291 2.717 17707
1762 1 5 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.400 -0.090 17707
1763 1 5 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.389 -2.813 17707
1764 1 5 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.468 -3.283 17707
1765 1 5 . 1 1 57 57 TYR H H 23 8.587 8.587 8.795 -0.208 17707
1766 1 5 . 1 1 58 58 ARG N N 24 114.767 114.767 116.748 -1.981 17707
1767 1 5 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.671 -0.408 17707
1768 1 5 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.611 -2.515 17707
1769 1 5 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.472 -3.068 17707
1770 1 5 . 1 1 58 58 ARG H H 24 7.262 7.262 7.844 -0.582 17707
1771 1 5 . 1 1 59 59 THR N N 25 119.267 119.267 116.623 2.644 17707
1772 1 5 . 1 1 59 59 THR HA H 25 4.015 4.015 4.624 -0.609 17707
1773 1 5 . 1 1 59 59 THR CA C 25 62.247 62.247 61.048 1.199 17707
1774 1 5 . 1 1 59 59 THR CB C 25 65.785 65.785 70.850 -5.066 17707
1775 1 5 . 1 1 59 59 THR H H 25 7.348 7.348 7.600 -0.252 17707
1776 1 5 . 1 1 60 60 SER N N 26 124.341 124.341 114.851 9.490 17707
1777 1 5 . 1 1 60 60 SER HA H 26 4.861 4.861 4.833 0.028 17707
1778 1 5 . 1 1 60 60 SER CA C 26 52.864 52.864 55.470 -2.606 17707
1779 1 5 . 1 1 60 60 SER CB C 26 61.783 61.783 64.317 -2.534 17707
1780 1 5 . 1 1 60 60 SER H H 26 8.319 8.319 8.058 0.261 17707
1781 1 5 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.316 -0.306 17707
1782 1 5 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.124 -2.041 17707
1783 1 5 . 1 1 62 62 ASP N N 28 115.615 115.615 116.868 -1.253 17707
1784 1 5 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.492 -0.116 17707
1785 1 5 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.169 -2.488 17707
1786 1 5 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.742 -2.490 17707
1787 1 5 . 1 1 62 62 ASP H H 28 8.020 8.020 8.313 -0.293 17707
1788 1 5 . 1 1 63 63 THR N N 29 118.079 118.079 117.398 0.681 17707
1789 1 5 . 1 1 63 63 THR HA H 29 3.902 3.902 4.209 -0.307 17707
1790 1 5 . 1 1 63 63 THR CA C 29 63.729 63.729 66.599 -2.869 17707
1791 1 5 . 1 1 63 63 THR CB C 29 65.634 65.634 68.917 -3.283 17707
1792 1 5 . 1 1 63 63 THR H H 29 7.766 7.766 7.392 0.374 17707
1793 1 5 . 1 1 64 64 LEU N N 30 118.985 118.985 120.213 -1.228 17707
1794 1 5 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.257 -0.204 17707
1795 1 5 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.550 -2.572 17707
1796 1 5 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.881 -1.050 17707
1797 1 5 . 1 1 64 64 LEU H H 30 7.495 7.495 8.247 -0.752 17707
1798 1 5 . 1 1 65 65 ARG N N 31 119.245 119.245 120.524 -1.279 17707
1799 1 5 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.245 -0.601 17707
1800 1 5 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.571 -0.215 17707
1801 1 5 . 1 1 65 65 ARG H H 31 8.583 8.583 7.695 0.888 17707
1802 1 5 . 1 1 66 66 ARG N N 32 115.695 115.695 118.807 -3.112 17707
1803 1 5 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.265 -0.193 17707
1804 1 5 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.653 -1.979 17707
1805 1 5 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.421 -1.863 17707
1806 1 5 . 1 1 66 66 ARG H H 32 7.707 7.707 7.728 -0.021 17707
1807 1 5 . 1 1 67 67 VAL N N 33 115.500 115.500 118.620 -3.120 17707
1808 1 5 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.003 -0.111 17707
1809 1 5 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.962 -2.306 17707
1810 1 5 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.493 -2.937 17707
1811 1 5 . 1 1 67 67 VAL H H 33 7.739 7.739 7.889 -0.150 17707
1812 1 5 . 1 1 68 68 PHE N N 34 116.290 116.290 117.062 -0.772 17707
1813 1 5 . 1 1 68 68 PHE HA H 34 4.498 4.498 5.061 -0.563 17707
1814 1 5 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.255 0.773 17707
1815 1 5 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.823 -4.631 17707
1816 1 5 . 1 1 68 68 PHE H H 34 8.253 8.253 7.784 0.469 17707
1817 1 5 . 1 1 69 69 GLU N N 35 119.333 119.333 121.700 -2.367 17707
1818 1 5 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.038 0.997 17707
1819 1 5 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.541 -4.559 17707
1820 1 5 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.528 -3.354 17707
1821 1 5 . 1 1 69 69 GLU H H 35 8.583 8.583 8.602 -0.019 17707
1822 1 5 . 1 1 70 70 LYS N N 36 118.341 118.341 117.691 0.650 17707
1823 1 5 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.123 -0.231 17707
1824 1 5 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.262 -2.803 17707
1825 1 5 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.602 -2.378 17707
1826 1 5 . 1 1 70 70 LYS H H 36 6.871 6.871 8.355 -1.484 17707
1827 1 5 . 1 1 71 71 TYR N N 37 115.014 115.014 118.443 -3.429 17707
1828 1 5 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.345 -0.038 17707
1829 1 5 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.952 -3.718 17707
1830 1 5 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.943 -2.308 17707
1831 1 5 . 1 1 71 71 TYR H H 37 7.611 7.611 7.666 -0.055 17707
1832 1 5 . 1 1 72 72 GLY N N 38 104.741 104.741 105.807 -1.066 17707
1833 1 5 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.322 -3.693 17707
1834 1 5 . 1 1 72 72 GLY H H 38 7.356 7.356 7.954 -0.598 17707
1835 1 5 . 1 1 73 73 ARG N N 39 115.783 115.783 118.853 -3.070 17707
1836 1 5 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.571 -0.203 17707
1837 1 5 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.080 -0.377 17707
1838 1 5 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.651 -4.799 17707
1839 1 5 . 1 1 73 73 ARG H H 39 7.990 7.990 8.041 -0.051 17707
1840 1 5 . 1 1 74 74 VAL N N 40 130.246 130.246 118.327 11.919 17707
1841 1 5 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.640 0.059 17707
1842 1 5 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.261 -1.778 17707
1843 1 5 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.703 -4.404 17707
1844 1 5 . 1 1 74 74 VAL H H 40 8.846 8.846 8.313 0.533 17707
1845 1 5 . 1 1 75 75 GLY N N 41 114.952 114.952 112.648 2.304 17707
1846 1 5 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.823 -1.918 17707
1847 1 5 . 1 1 75 75 GLY H H 41 8.943 8.943 8.597 0.346 17707
1848 1 5 . 1 1 76 76 ASP N N 42 115.344 115.344 117.523 -2.179 17707
1849 1 5 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.895 -0.183 17707
1850 1 5 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.536 -1.022 17707
1851 1 5 . 1 1 76 76 ASP H H 42 7.224 7.224 7.515 -0.291 17707
1852 1 5 . 1 1 77 77 VAL N N 43 122.703 122.703 121.521 1.182 17707
1853 1 5 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.284 0.439 17707
1854 1 5 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.991 -1.644 17707
1855 1 5 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.303 -0.721 17707
1856 1 5 . 1 1 77 77 VAL H H 43 7.551 7.551 8.408 -0.857 17707
1857 1 5 . 1 1 78 78 TYR N N 44 125.956 125.956 128.887 -2.931 17707
1858 1 5 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.577 0.394 17707
1859 1 5 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.261 -3.955 17707
1860 1 5 . 1 1 78 78 TYR H H 44 9.023 9.023 8.111 0.912 17707
1861 1 5 . 1 1 79 79 ILE N N 45 129.856 129.856 120.891 8.965 17707
1862 1 5 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.248 0.008 17707
1863 1 5 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.873 -2.475 17707
1864 1 5 . 1 1 79 79 ILE CB C 45 36.314 36.314 40.819 -4.505 17707
1865 1 5 . 1 1 79 79 ILE H H 45 8.231 8.231 7.513 0.718 17707
1866 1 5 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.446 -0.542 17707
1867 1 5 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.157 -2.516 17707
1868 1 5 . 1 1 81 81 ARG H H 47 8.593 8.593 8.005 0.588 17707
1869 1 5 . 1 1 82 82 ASP N N 48 125.712 125.712 114.212 11.500 17707
1870 1 5 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.640 -0.258 17707
1871 1 5 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.297 -0.838 17707
1872 1 5 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.991 -0.683 17707
1873 1 5 . 1 1 82 82 ASP H H 48 8.948 8.948 7.893 1.055 17707
1874 1 5 . 1 1 83 83 ARG N N 49 125.207 125.207 118.698 6.509 17707
1875 1 5 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.628 -0.932 17707
1876 1 5 . 1 1 83 83 ARG CA C 49 55.614 55.614 56.875 -1.261 17707
1877 1 5 . 1 1 83 83 ARG H H 49 8.688 8.688 8.758 -0.070 17707
1878 1 5 . 1 1 84 84 TYR N N 50 117.911 117.911 114.531 3.380 17707
1879 1 5 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.883 -0.289 17707
1880 1 5 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.295 -0.529 17707
1881 1 5 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.321 -2.134 17707
1882 1 5 . 1 1 84 84 TYR H H 50 8.449 8.449 7.899 0.550 17707
1883 1 5 . 1 1 85 85 THR N N 51 110.450 110.450 111.565 -1.115 17707
1884 1 5 . 1 1 85 85 THR HA H 51 4.230 4.230 4.228 0.002 17707
1885 1 5 . 1 1 85 85 THR CA C 51 59.620 59.620 61.155 -1.535 17707
1886 1 5 . 1 1 85 85 THR CB C 51 67.745 67.745 70.346 -2.601 17707
1887 1 5 . 1 1 85 85 THR H H 51 9.141 9.141 7.565 1.576 17707
1888 1 5 . 1 1 86 86 LYS N N 52 113.570 113.570 119.128 -5.558 17707
1889 1 5 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.987 -0.032 17707
1890 1 5 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.863 -3.435 17707
1891 1 5 . 1 1 86 86 LYS H H 52 7.821 7.821 8.109 -0.288 17707
1892 1 5 . 1 1 87 87 GLU N N 53 118.364 118.364 120.016 -1.652 17707
1893 1 5 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.171 0.209 17707
1894 1 5 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.487 -3.846 17707
1895 1 5 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.535 -1.694 17707
1896 1 5 . 1 1 87 87 GLU H H 53 7.714 7.714 7.825 -0.111 17707
1897 1 5 . 1 1 88 88 SER N N 54 115.692 115.692 113.162 2.530 17707
1898 1 5 . 1 1 88 88 SER CB C 54 61.369 61.369 64.725 -3.356 17707
1899 1 5 . 1 1 88 88 SER H H 54 8.705 8.705 8.278 0.427 17707
1900 1 5 . 1 1 89 89 ARG N N 55 122.170 122.170 121.349 0.821 17707
1901 1 5 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.798 -0.481 17707
1902 1 5 . 1 1 89 89 ARG CA C 55 53.794 53.794 54.093 -0.299 17707
1903 1 5 . 1 1 89 89 ARG H H 55 7.934 7.934 8.318 -0.384 17707
1904 1 5 . 1 1 90 90 GLY N N 56 106.948 106.948 108.579 -1.631 17707
1905 1 5 . 1 1 90 90 GLY CA C 56 43.275 43.275 44.986 -1.711 17707
1906 1 5 . 1 1 90 90 GLY H H 56 8.557 8.557 8.641 -0.084 17707
1907 1 5 . 1 1 91 91 PHE N N 57 113.487 113.487 115.093 -1.606 17707
1908 1 5 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.887 0.705 17707
1909 1 5 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.392 -3.481 17707
1910 1 5 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.558 -0.780 17707
1911 1 5 . 1 1 91 91 PHE H H 57 6.936 6.936 7.084 -0.148 17707
1912 1 5 . 1 1 92 92 ALA N N 58 117.841 117.841 122.307 -4.466 17707
1913 1 5 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.372 0.376 17707
1914 1 5 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.478 -4.944 17707
1915 1 5 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.860 2.738 17707
1916 1 5 . 1 1 92 92 ALA H H 58 8.848 8.848 8.265 0.583 17707
1917 1 5 . 1 1 93 93 PHE N N 59 115.981 115.981 127.898 -11.917 17707
1918 1 5 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.925 0.748 17707
1919 1 5 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.803 -3.941 17707
1920 1 5 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.401 -1.502 17707
1921 1 5 . 1 1 93 93 PHE H H 59 8.824 8.824 8.266 0.558 17707
1922 1 5 . 1 1 94 94 VAL N N 60 123.120 123.120 128.009 -4.889 17707
1923 1 5 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.109 0.195 17707
1924 1 5 . 1 1 94 94 VAL CA C 60 58.931 58.931 62.242 -3.311 17707
1925 1 5 . 1 1 94 94 VAL CB C 60 31.429 31.429 32.976 -1.547 17707
1926 1 5 . 1 1 94 94 VAL H H 60 8.581 8.581 7.987 0.594 17707
1927 1 5 . 1 1 95 95 ARG N N 61 123.954 123.954 121.476 2.478 17707
1928 1 5 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.211 0.341 17707
1929 1 5 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.246 -3.731 17707
1930 1 5 . 1 1 95 95 ARG H H 61 8.727 8.727 8.932 -0.205 17707
1931 1 5 . 1 1 96 96 PHE N N 62 121.921 121.921 122.785 -0.864 17707
1932 1 5 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.703 0.200 17707
1933 1 5 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.124 -1.558 17707
1934 1 5 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.653 -2.767 17707
1935 1 5 . 1 1 96 96 PHE H H 62 9.127 9.127 8.342 0.785 17707
1936 1 5 . 1 1 97 97 HIS N N 63 120.064 120.064 117.642 2.422 17707
1937 1 5 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.778 -0.440 17707
1938 1 5 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.230 1.031 17707
1939 1 5 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.123 -3.836 17707
1940 1 5 . 1 1 97 97 HIS H H 63 7.982 7.982 8.959 -0.977 17707
1941 1 5 . 1 1 98 98 ASP N N 64 119.665 119.665 121.966 -2.301 17707
1942 1 5 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.815 0.244 17707
1943 1 5 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.047 -4.852 17707
1944 1 5 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.679 -0.581 17707
1945 1 5 . 1 1 98 98 ASP H H 64 9.096 9.096 8.513 0.583 17707
1946 1 5 . 1 1 99 99 LYS N N 65 127.804 127.804 127.223 0.581 17707
1947 1 5 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.967 -0.122 17707
1948 1 5 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.690 -2.293 17707
1949 1 5 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.597 -2.351 17707
1950 1 5 . 1 1 99 99 LYS H H 65 8.784 8.784 8.858 -0.074 17707
1951 1 5 . 1 1 100 100 ARG N N 66 118.451 118.451 116.817 1.634 17707
1952 1 5 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.158 -0.088 17707
1953 1 5 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.037 -2.898 17707
1954 1 5 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.961 -2.195 17707
1955 1 5 . 1 1 100 100 ARG H H 66 8.600 8.600 8.550 0.050 17707
1956 1 5 . 1 1 101 101 ASP N N 67 119.627 119.627 118.406 1.221 17707
1957 1 5 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.660 -0.466 17707
1958 1 5 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.886 -2.653 17707
1959 1 5 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.570 -2.574 17707
1960 1 5 . 1 1 101 101 ASP H H 67 7.089 7.089 8.561 -1.472 17707
1961 1 5 . 1 1 102 102 ALA N N 68 119.421 119.421 123.559 -4.138 17707
1962 1 5 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.660 -0.696 17707
1963 1 5 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.041 -3.338 17707
1964 1 5 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.698 -3.030 17707
1965 1 5 . 1 1 102 102 ALA H H 68 6.832 6.832 7.687 -0.855 17707
1966 1 5 . 1 1 103 103 GLU N N 69 117.506 117.506 116.506 1.000 17707
1967 1 5 . 1 1 103 103 GLU HA H 69 3.658 3.658 4.006 -0.348 17707
1968 1 5 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.407 -1.245 17707
1969 1 5 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.291 -2.866 17707
1970 1 5 . 1 1 103 103 GLU H H 69 8.011 8.011 8.008 0.003 17707
1971 1 5 . 1 1 104 104 ASP N N 70 120.487 120.487 120.958 -0.471 17707
1972 1 5 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.454 -0.188 17707
1973 1 5 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.702 -2.214 17707
1974 1 5 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.107 -3.645 17707
1975 1 5 . 1 1 104 104 ASP H H 70 8.020 8.020 7.534 0.486 17707
1976 1 5 . 1 1 105 105 ALA N N 71 122.179 122.179 120.655 1.524 17707
1977 1 5 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.284 -0.509 17707
1978 1 5 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.580 -2.834 17707
1979 1 5 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.547 -1.339 17707
1980 1 5 . 1 1 105 105 ALA H H 71 8.118 8.118 7.441 0.677 17707
1981 1 5 . 1 1 106 106 MET N N 72 118.380 118.380 114.815 3.565 17707
1982 1 5 . 1 1 106 106 MET HA H 72 3.655 3.655 4.167 -0.512 17707
1983 1 5 . 1 1 106 106 MET CA C 72 57.188 57.188 58.572 -1.385 17707
1984 1 5 . 1 1 106 106 MET CB C 72 30.409 30.409 32.567 -2.158 17707
1985 1 5 . 1 1 106 106 MET H H 72 8.279 8.279 7.456 0.823 17707
1986 1 5 . 1 1 107 107 ASP N N 73 117.030 117.030 120.053 -3.023 17707
1987 1 5 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.516 -0.189 17707
1988 1 5 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.557 -1.498 17707
1989 1 5 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.825 -2.732 17707
1990 1 5 . 1 1 107 107 ASP H H 73 7.749 7.749 7.863 -0.114 17707
1991 1 5 . 1 1 108 108 ALA N N 74 117.995 117.995 118.638 -0.643 17707
1992 1 5 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.570 -0.446 17707
1993 1 5 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.822 -1.488 17707
1994 1 5 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.791 -3.132 17707
1995 1 5 . 1 1 108 108 ALA H H 74 7.347 7.347 7.180 0.167 17707
1996 1 5 . 1 1 109 109 MET N N 75 112.202 112.202 116.609 -4.407 17707
1997 1 5 . 1 1 109 109 MET HA H 75 4.742 4.742 4.551 0.191 17707
1998 1 5 . 1 1 109 109 MET CA C 75 50.546 50.546 55.751 -5.205 17707
1999 1 5 . 1 1 109 109 MET H H 75 8.057 8.057 7.649 0.408 17707
2000 1 5 . 1 1 110 110 ASP N N 76 120.043 120.043 120.683 -0.640 17707
2001 1 5 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.426 -0.040 17707
2002 1 5 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.355 -1.409 17707
2003 1 5 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.092 -2.488 17707
2004 1 5 . 1 1 110 110 ASP H H 76 7.825 7.825 7.635 0.190 17707
2005 1 5 . 1 1 111 111 GLY N N 77 117.743 117.743 112.566 5.177 17707
2006 1 5 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.724 -2.708 17707
2007 1 5 . 1 1 111 111 GLY H H 77 8.636 8.636 8.111 0.525 17707
2008 1 5 . 1 1 112 112 ALA N N 78 123.755 123.755 123.065 0.690 17707
2009 1 5 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.441 -0.122 17707
2010 1 5 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.449 -2.413 17707
2011 1 5 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.725 -1.277 17707
2012 1 5 . 1 1 112 112 ALA H H 78 7.909 7.909 7.711 0.198 17707
2013 1 5 . 1 1 113 113 VAL N N 79 118.703 118.703 116.567 2.136 17707
2014 1 5 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.108 0.505 17707
2015 1 5 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.729 -3.157 17707
2016 1 5 . 1 1 113 113 VAL H H 79 8.083 8.083 7.217 0.866 17707
2017 1 5 . 1 1 114 114 LEU N N 80 129.473 129.473 117.074 12.399 17707
2018 1 5 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.780 -0.237 17707
2019 1 5 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.010 -3.068 17707
2020 1 5 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.763 -0.178 17707
2021 1 5 . 1 1 114 114 LEU H H 80 8.895 8.895 8.663 0.232 17707
2022 1 5 . 1 1 115 115 ASP N N 81 129.660 129.660 120.071 9.589 17707
2023 1 5 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.891 -0.662 17707
2024 1 5 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.143 -1.891 17707
2025 1 5 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.241 -4.969 17707
2026 1 5 . 1 1 115 115 ASP H H 81 9.428 9.428 8.279 1.149 17707
2027 1 5 . 1 1 116 116 GLY N N 82 100.557 100.557 108.520 -7.963 17707
2028 1 5 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.116 -2.235 17707
2029 1 5 . 1 1 116 116 GLY H H 82 7.978 7.978 7.998 -0.020 17707
2030 1 5 . 1 1 117 117 ARG N N 83 120.104 120.104 118.065 2.039 17707
2031 1 5 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.653 -0.103 17707
2032 1 5 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.258 -4.152 17707
2033 1 5 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.784 -2.139 17707
2034 1 5 . 1 1 117 117 ARG H H 83 7.493 7.493 7.696 -0.203 17707
2035 1 5 . 1 1 118 118 GLU N N 84 121.206 121.206 117.756 3.450 17707
2036 1 5 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.658 -0.355 17707
2037 1 5 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.751 -3.322 17707
2038 1 5 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.984 -5.859 17707
2039 1 5 . 1 1 118 118 GLU H H 84 8.352 8.352 8.707 -0.355 17707
2040 1 5 . 1 1 119 119 LEU N N 85 127.970 127.970 118.222 9.748 17707
2041 1 5 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.883 -0.321 17707
2042 1 5 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.472 -0.949 17707
2043 1 5 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.438 -4.627 17707
2044 1 5 . 1 1 119 119 LEU H H 85 9.349 9.349 7.806 1.543 17707
2045 1 5 . 1 1 120 120 ARG N N 86 121.001 121.001 121.181 -0.180 17707
2046 1 5 . 1 1 120 120 ARG HA H 86 5.174 5.174 4.937 0.237 17707
2047 1 5 . 1 1 120 120 ARG CA C 86 51.595 51.595 55.067 -3.472 17707
2048 1 5 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.575 -2.883 17707
2049 1 5 . 1 1 120 120 ARG H H 86 7.512 7.512 8.354 -0.842 17707
2050 1 5 . 1 1 121 121 VAL N N 87 125.999 125.999 123.638 2.361 17707
2051 1 5 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.864 0.074 17707
2052 1 5 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.378 -1.612 17707
2053 1 5 . 1 1 121 121 VAL H H 87 9.437 9.437 8.206 1.231 17707
2054 1 5 . 1 1 122 122 GLN N N 88 121.684 121.684 124.184 -2.500 17707
2055 1 5 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.602 0.367 17707
2056 1 5 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.293 -2.394 17707
2057 1 5 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.027 -1.870 17707
2058 1 5 . 1 1 122 122 GLN H H 88 8.301 8.301 8.180 0.121 17707
2059 1 5 . 1 1 123 123 MET N N 89 121.937 121.937 120.139 1.798 17707
2060 1 5 . 1 1 123 123 MET HA H 89 4.529 4.529 4.476 0.053 17707
2061 1 5 . 1 1 123 123 MET CA C 89 53.328 53.328 54.334 -1.006 17707
2062 1 5 . 1 1 123 123 MET CB C 89 28.750 28.750 32.816 -4.066 17707
2063 1 5 . 1 1 123 123 MET H H 89 8.714 8.714 8.595 0.118 17707
2064 1 5 . 1 1 124 124 ALA N N 90 126.984 126.984 128.288 -1.304 17707
2065 1 5 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.250 0.167 17707
2066 1 5 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.239 -2.436 17707
2067 1 5 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.674 -4.422 17707
2068 1 5 . 1 1 124 124 ALA H H 90 8.437 8.437 8.406 0.031 17707
2069 1 5 . 1 1 125 125 ARG H H 91 9.886 9.886 8.728 1.158 17707
2070 1 5 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.650 -2.914 17707
2071 1 5 . 1 1 128 128 ARG N N 94 120.921 120.921 118.832 2.089 17707
2072 1 5 . 1 1 128 128 ARG H H 94 8.245 8.245 8.140 0.105 17707
2073 1 5 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.285 0.308 17707
2074 1 5 . 1 1 129 129 PRO CA C 95 58.989 58.989 63.008 -4.019 17707
2075 1 5 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.436 -0.119 17707
2076 1 5 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.906 -3.511 17707
2077 1 5 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.500 -3.239 17707
2078 1 5 . 1 1 131 131 ASP N N 97 119.855 119.855 115.981 3.874 17707
2079 1 5 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.653 -0.161 17707
2080 1 5 . 1 1 131 131 ASP CA C 97 51.415 51.415 52.983 -1.567 17707
2081 1 5 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.284 -3.731 17707
2082 1 5 . 1 1 131 131 ASP H H 97 8.196 8.196 7.312 0.884 17707
2083 1 5 . 1 1 132 132 SER N N 98 116.150 116.150 114.508 1.642 17707
2084 1 5 . 1 1 132 132 SER HA H 98 4.286 4.286 4.443 -0.157 17707
2085 1 5 . 1 1 132 132 SER CA C 98 55.729 55.729 60.272 -4.543 17707
2086 1 5 . 1 1 132 132 SER CB C 98 61.088 61.088 63.897 -2.808 17707
2087 1 5 . 1 1 132 132 SER H H 98 8.070 8.070 8.583 -0.513 17707
2088 1 5 . 1 1 133 133 HIS N N 99 119.771 119.771 112.107 7.664 17707
2089 1 5 . 1 1 133 133 HIS CB C 99 27.067 27.067 29.721 -2.654 17707
2090 1 5 . 1 1 133 133 HIS H H 99 8.322 8.322 7.590 0.732 17707
2091 1 6 . 1 1 36 36 SER N N 2 116.365 116.365 114.252 2.113 17707
2092 1 6 . 1 1 36 36 SER HA H 2 4.398 4.398 4.703 -0.305 17707
2093 1 6 . 1 1 36 36 SER CA C 2 55.706 55.706 58.082 -2.376 17707
2094 1 6 . 1 1 36 36 SER CB C 2 61.260 61.260 64.740 -3.480 17707
2095 1 6 . 1 1 36 36 SER H H 2 8.112 8.112 8.005 0.107 17707
2096 1 6 . 1 1 37 37 TYR N N 3 121.885 121.885 123.336 -1.451 17707
2097 1 6 . 1 1 37 37 TYR HA H 3 4.634 4.634 3.983 0.651 17707
2098 1 6 . 1 1 37 37 TYR CB C 3 36.183 36.183 37.424 -1.241 17707
2099 1 6 . 1 1 37 37 TYR H H 3 8.155 8.155 9.125 -0.970 17707
2100 1 6 . 1 1 38 38 GLY N N 4 109.771 109.771 108.438 1.333 17707
2101 1 6 . 1 1 38 38 GLY H H 4 8.332 8.332 8.532 -0.200 17707
2102 1 6 . 1 1 39 39 ARG N N 5 121.087 121.087 121.031 0.056 17707
2103 1 6 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.533 0.008 17707
2104 1 6 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.918 -3.723 17707
2105 1 6 . 1 1 39 39 ARG H H 5 8.224 8.224 7.859 0.365 17707
2106 1 6 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.595 -0.356 17707
2107 1 6 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.078 -3.684 17707
2108 1 6 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.809 -0.425 17707
2109 1 6 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.812 -3.240 17707
2110 1 6 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.675 -0.402 17707
2111 1 6 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.689 -2.558 17707
2112 1 6 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.851 -4.754 17707
2113 1 6 . 1 1 43 43 ASP N N 9 119.118 119.118 117.480 1.638 17707
2114 1 6 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.954 -0.442 17707
2115 1 6 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.574 -2.033 17707
2116 1 6 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.715 -3.216 17707
2117 1 6 . 1 1 43 43 ASP H H 9 8.425 8.425 8.282 0.143 17707
2118 1 6 . 1 1 44 44 VAL N N 10 118.278 118.278 116.625 1.653 17707
2119 1 6 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.804 0.402 17707
2120 1 6 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.611 -5.448 17707
2121 1 6 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.836 -2.838 17707
2122 1 6 . 1 1 44 44 VAL H H 10 7.882 7.882 8.016 -0.134 17707
2123 1 6 . 1 1 45 45 GLU N N 11 123.222 123.222 118.218 5.004 17707
2124 1 6 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.203 -0.155 17707
2125 1 6 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.659 -0.812 17707
2126 1 6 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.984 -2.537 17707
2127 1 6 . 1 1 45 45 GLU H H 11 8.328 8.328 8.073 0.255 17707
2128 1 6 . 1 1 46 46 GLY N N 12 108.993 108.993 106.990 2.003 17707
2129 1 6 . 1 1 46 46 GLY CA C 12 42.699 42.699 44.964 -2.265 17707
2130 1 6 . 1 1 46 46 GLY H H 12 8.361 8.361 8.017 0.344 17707
2131 1 6 . 1 1 47 47 MET N N 13 118.074 118.074 119.492 -1.418 17707
2132 1 6 . 1 1 47 47 MET HA H 13 4.584 4.584 4.255 0.329 17707
2133 1 6 . 1 1 47 47 MET CB C 13 31.447 31.447 33.149 -1.702 17707
2134 1 6 . 1 1 47 47 MET H H 13 7.493 7.493 8.025 -0.532 17707
2135 1 6 . 1 1 48 48 THR N N 14 118.968 118.968 116.699 2.269 17707
2136 1 6 . 1 1 48 48 THR HA H 14 4.534 4.534 4.143 0.391 17707
2137 1 6 . 1 1 48 48 THR CA C 14 60.656 60.656 65.144 -4.488 17707
2138 1 6 . 1 1 48 48 THR CB C 14 67.544 67.544 68.969 -1.425 17707
2139 1 6 . 1 1 48 48 THR H H 14 8.993 8.993 8.557 0.436 17707
2140 1 6 . 1 1 49 49 SER N N 15 123.365 123.365 116.655 6.710 17707
2141 1 6 . 1 1 49 49 SER HA H 15 5.017 5.017 4.105 0.912 17707
2142 1 6 . 1 1 49 49 SER CB C 15 61.787 61.787 61.929 -0.142 17707
2143 1 6 . 1 1 49 49 SER H H 15 9.097 9.097 7.864 1.233 17707
2144 1 6 . 1 1 50 50 LEU N N 16 124.488 124.488 122.186 2.302 17707
2145 1 6 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.086 0.922 17707
2146 1 6 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.405 -6.046 17707
2147 1 6 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.048 -1.946 17707
2148 1 6 . 1 1 50 50 LEU H H 16 9.495 9.495 7.482 2.013 17707
2149 1 6 . 1 1 51 51 LYS N N 17 123.276 123.276 120.772 2.504 17707
2150 1 6 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.236 -0.355 17707
2151 1 6 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.218 -1.794 17707
2152 1 6 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.922 -3.591 17707
2153 1 6 . 1 1 51 51 LYS H H 17 9.239 9.239 8.852 0.387 17707
2154 1 6 . 1 1 52 52 VAL N N 18 130.086 130.086 121.582 8.504 17707
2155 1 6 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.987 -0.213 17707
2156 1 6 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.785 -1.559 17707
2157 1 6 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.586 -4.664 17707
2158 1 6 . 1 1 52 52 VAL H H 18 9.136 9.136 7.635 1.501 17707
2159 1 6 . 1 1 53 53 ASP N N 19 125.621 125.621 125.739 -0.118 17707
2160 1 6 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.022 0.156 17707
2161 1 6 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.365 -2.751 17707
2162 1 6 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.943 -2.396 17707
2163 1 6 . 1 1 53 53 ASP H H 19 9.312 9.312 8.769 0.543 17707
2164 1 6 . 1 1 54 54 ASN N N 20 112.496 112.496 115.220 -2.724 17707
2165 1 6 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.449 0.028 17707
2166 1 6 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.662 -2.646 17707
2167 1 6 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.941 -3.322 17707
2168 1 6 . 1 1 54 54 ASN H H 20 8.438 8.438 8.715 -0.277 17707
2169 1 6 . 1 1 55 55 LEU N N 21 114.844 114.844 118.465 -3.621 17707
2170 1 6 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.114 0.249 17707
2171 1 6 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.843 -4.835 17707
2172 1 6 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.198 -0.182 17707
2173 1 6 . 1 1 55 55 LEU H H 21 7.477 7.477 8.043 -0.566 17707
2174 1 6 . 1 1 56 56 THR N N 22 111.571 111.571 117.795 -6.224 17707
2175 1 6 . 1 1 56 56 THR HA H 22 4.361 4.361 4.441 -0.080 17707
2176 1 6 . 1 1 56 56 THR CA C 22 58.212 58.212 62.070 -3.858 17707
2177 1 6 . 1 1 56 56 THR CB C 22 68.233 68.233 70.227 -1.994 17707
2178 1 6 . 1 1 56 56 THR H H 22 8.341 8.341 8.078 0.263 17707
2179 1 6 . 1 1 57 57 TYR N N 23 122.008 122.008 119.299 2.709 17707
2180 1 6 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.285 0.025 17707
2181 1 6 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.006 -2.430 17707
2182 1 6 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.237 -3.052 17707
2183 1 6 . 1 1 57 57 TYR H H 23 8.587 8.587 8.830 -0.243 17707
2184 1 6 . 1 1 58 58 ARG N N 24 114.767 114.767 114.095 0.672 17707
2185 1 6 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.529 -0.266 17707
2186 1 6 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.321 -2.225 17707
2187 1 6 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.651 -3.247 17707
2188 1 6 . 1 1 58 58 ARG H H 24 7.262 7.262 7.563 -0.301 17707
2189 1 6 . 1 1 59 59 THR N N 25 119.267 119.267 117.357 1.910 17707
2190 1 6 . 1 1 59 59 THR HA H 25 4.015 4.015 4.685 -0.670 17707
2191 1 6 . 1 1 59 59 THR CA C 25 62.247 62.247 61.314 0.933 17707
2192 1 6 . 1 1 59 59 THR CB C 25 65.785 65.785 71.307 -5.522 17707
2193 1 6 . 1 1 59 59 THR H H 25 7.348 7.348 7.750 -0.402 17707
2194 1 6 . 1 1 60 60 SER N N 26 124.341 124.341 114.441 9.900 17707
2195 1 6 . 1 1 60 60 SER HA H 26 4.861 4.861 4.891 -0.030 17707
2196 1 6 . 1 1 60 60 SER CA C 26 52.864 52.864 55.535 -2.671 17707
2197 1 6 . 1 1 60 60 SER CB C 26 61.783 61.783 64.369 -2.586 17707
2198 1 6 . 1 1 60 60 SER H H 26 8.319 8.319 8.109 0.210 17707
2199 1 6 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.365 -0.355 17707
2200 1 6 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.008 -1.925 17707
2201 1 6 . 1 1 62 62 ASP N N 28 115.615 115.615 118.044 -2.429 17707
2202 1 6 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.398 -0.022 17707
2203 1 6 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.973 -3.292 17707
2204 1 6 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.321 -2.069 17707
2205 1 6 . 1 1 62 62 ASP H H 28 8.020 8.020 8.491 -0.471 17707
2206 1 6 . 1 1 63 63 THR N N 29 118.079 118.079 117.119 0.960 17707
2207 1 6 . 1 1 63 63 THR HA H 29 3.902 3.902 4.156 -0.254 17707
2208 1 6 . 1 1 63 63 THR CA C 29 63.729 63.729 66.256 -2.527 17707
2209 1 6 . 1 1 63 63 THR CB C 29 65.634 65.634 68.901 -3.267 17707
2210 1 6 . 1 1 63 63 THR H H 29 7.766 7.766 7.539 0.227 17707
2211 1 6 . 1 1 64 64 LEU N N 30 118.985 118.985 120.555 -1.570 17707
2212 1 6 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.233 -0.180 17707
2213 1 6 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.576 -2.598 17707
2214 1 6 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.983 -1.152 17707
2215 1 6 . 1 1 64 64 LEU H H 30 7.495 7.495 8.299 -0.804 17707
2216 1 6 . 1 1 65 65 ARG N N 31 119.245 119.245 120.635 -1.390 17707
2217 1 6 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.178 -0.534 17707
2218 1 6 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.617 -0.262 17707
2219 1 6 . 1 1 65 65 ARG H H 31 8.583 8.583 7.772 0.811 17707
2220 1 6 . 1 1 66 66 ARG N N 32 115.695 115.695 118.021 -2.326 17707
2221 1 6 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.266 -0.194 17707
2222 1 6 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.284 -1.610 17707
2223 1 6 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.153 -1.595 17707
2224 1 6 . 1 1 66 66 ARG H H 32 7.707 7.707 7.701 0.006 17707
2225 1 6 . 1 1 67 67 VAL N N 33 115.500 115.500 117.966 -2.466 17707
2226 1 6 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.100 -0.208 17707
2227 1 6 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.287 -1.631 17707
2228 1 6 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.264 -2.708 17707
2229 1 6 . 1 1 67 67 VAL H H 33 7.739 7.739 7.967 -0.228 17707
2230 1 6 . 1 1 68 68 PHE N N 34 116.290 116.290 117.141 -0.851 17707
2231 1 6 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.983 -0.485 17707
2232 1 6 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.264 0.764 17707
2233 1 6 . 1 1 68 68 PHE CB C 34 36.192 36.192 41.282 -5.090 17707
2234 1 6 . 1 1 68 68 PHE H H 34 8.253 8.253 7.731 0.522 17707
2235 1 6 . 1 1 69 69 GLU N N 35 119.333 119.333 121.485 -2.152 17707
2236 1 6 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.048 0.987 17707
2237 1 6 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.401 -4.419 17707
2238 1 6 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.520 -3.346 17707
2239 1 6 . 1 1 69 69 GLU H H 35 8.583 8.583 8.616 -0.033 17707
2240 1 6 . 1 1 70 70 LYS N N 36 118.341 118.341 117.321 1.020 17707
2241 1 6 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.121 -0.229 17707
2242 1 6 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.179 -2.720 17707
2243 1 6 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.500 -2.276 17707
2244 1 6 . 1 1 70 70 LYS H H 36 6.871 6.871 8.389 -1.518 17707
2245 1 6 . 1 1 71 71 TYR N N 37 115.014 115.014 118.771 -3.757 17707
2246 1 6 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.384 -0.077 17707
2247 1 6 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.016 -3.782 17707
2248 1 6 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.130 -2.495 17707
2249 1 6 . 1 1 71 71 TYR H H 37 7.611 7.611 7.647 -0.036 17707
2250 1 6 . 1 1 72 72 GLY N N 38 104.741 104.741 105.927 -1.186 17707
2251 1 6 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.437 -3.808 17707
2252 1 6 . 1 1 72 72 GLY H H 38 7.356 7.356 7.914 -0.558 17707
2253 1 6 . 1 1 73 73 ARG N N 39 115.783 115.783 119.334 -3.551 17707
2254 1 6 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.594 -0.226 17707
2255 1 6 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.066 -0.362 17707
2256 1 6 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.907 -5.055 17707
2257 1 6 . 1 1 73 73 ARG H H 39 7.990 7.990 8.084 -0.094 17707
2258 1 6 . 1 1 74 74 VAL N N 40 130.246 130.246 117.852 12.394 17707
2259 1 6 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.592 0.107 17707
2260 1 6 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.890 -1.407 17707
2261 1 6 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.281 -4.982 17707
2262 1 6 . 1 1 74 74 VAL H H 40 8.846 8.846 8.365 0.481 17707
2263 1 6 . 1 1 75 75 GLY N N 41 114.952 114.952 112.174 2.778 17707
2264 1 6 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.785 -2.880 17707
2265 1 6 . 1 1 75 75 GLY H H 41 8.943 8.943 8.546 0.397 17707
2266 1 6 . 1 1 76 76 ASP N N 42 115.344 115.344 115.981 -0.637 17707
2267 1 6 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.632 0.080 17707
2268 1 6 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.582 -1.068 17707
2269 1 6 . 1 1 76 76 ASP H H 42 7.224 7.224 7.443 -0.219 17707
2270 1 6 . 1 1 77 77 VAL N N 43 122.703 122.703 114.208 8.495 17707
2271 1 6 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.400 0.323 17707
2272 1 6 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.709 -1.362 17707
2273 1 6 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.823 -2.241 17707
2274 1 6 . 1 1 77 77 VAL H H 43 7.551 7.551 7.673 -0.122 17707
2275 1 6 . 1 1 78 78 TYR N N 44 125.956 125.956 125.778 0.178 17707
2276 1 6 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.764 0.207 17707
2277 1 6 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.474 -4.168 17707
2278 1 6 . 1 1 78 78 TYR H H 44 9.023 9.023 7.938 1.085 17707
2279 1 6 . 1 1 79 79 ILE N N 45 129.856 129.856 122.557 7.299 17707
2280 1 6 . 1 1 79 79 ILE HA H 45 4.256 4.256 3.960 0.296 17707
2281 1 6 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.760 -2.362 17707
2282 1 6 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.474 -3.160 17707
2283 1 6 . 1 1 79 79 ILE H H 45 8.231 8.231 7.809 0.422 17707
2284 1 6 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.305 -0.401 17707
2285 1 6 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.726 -3.085 17707
2286 1 6 . 1 1 81 81 ARG H H 47 8.593 8.593 8.586 0.007 17707
2287 1 6 . 1 1 82 82 ASP N N 48 125.712 125.712 121.096 4.616 17707
2288 1 6 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.600 -0.218 17707
2289 1 6 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.775 -1.316 17707
2290 1 6 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.930 -0.622 17707
2291 1 6 . 1 1 82 82 ASP H H 48 8.948 8.948 8.109 0.839 17707
2292 1 6 . 1 1 83 83 ARG N N 49 125.207 125.207 121.583 3.624 17707
2293 1 6 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.064 -0.368 17707
2294 1 6 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.702 -2.088 17707
2295 1 6 . 1 1 83 83 ARG H H 49 8.688 8.688 8.580 0.108 17707
2296 1 6 . 1 1 84 84 TYR N N 50 117.911 117.911 112.310 5.601 17707
2297 1 6 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.887 -0.293 17707
2298 1 6 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.688 0.078 17707
2299 1 6 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.247 -3.060 17707
2300 1 6 . 1 1 84 84 TYR H H 50 8.449 8.449 6.757 1.692 17707
2301 1 6 . 1 1 85 85 THR N N 51 110.450 110.450 110.576 -0.126 17707
2302 1 6 . 1 1 85 85 THR HA H 51 4.230 4.230 4.483 -0.253 17707
2303 1 6 . 1 1 85 85 THR CA C 51 59.620 59.620 62.310 -2.690 17707
2304 1 6 . 1 1 85 85 THR CB C 51 67.745 67.745 71.966 -4.221 17707
2305 1 6 . 1 1 85 85 THR H H 51 9.141 9.141 7.719 1.422 17707
2306 1 6 . 1 1 86 86 LYS N N 52 113.570 113.570 120.509 -6.939 17707
2307 1 6 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.806 0.149 17707
2308 1 6 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.664 -3.236 17707
2309 1 6 . 1 1 86 86 LYS H H 52 7.821 7.821 8.281 -0.460 17707
2310 1 6 . 1 1 87 87 GLU N N 53 118.364 118.364 115.258 3.106 17707
2311 1 6 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.179 0.201 17707
2312 1 6 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.930 -4.289 17707
2313 1 6 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.690 -0.849 17707
2314 1 6 . 1 1 87 87 GLU H H 53 7.714 7.714 7.698 0.016 17707
2315 1 6 . 1 1 88 88 SER N N 54 115.692 115.692 115.802 -0.110 17707
2316 1 6 . 1 1 88 88 SER CB C 54 61.369 61.369 63.759 -2.390 17707
2317 1 6 . 1 1 88 88 SER H H 54 8.705 8.705 8.034 0.671 17707
2318 1 6 . 1 1 89 89 ARG N N 55 122.170 122.170 120.332 1.838 17707
2319 1 6 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.532 -0.215 17707
2320 1 6 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.907 -2.113 17707
2321 1 6 . 1 1 89 89 ARG H H 55 7.934 7.934 8.396 -0.462 17707
2322 1 6 . 1 1 90 90 GLY N N 56 106.948 106.948 108.329 -1.381 17707
2323 1 6 . 1 1 90 90 GLY CA C 56 43.275 43.275 46.219 -2.944 17707
2324 1 6 . 1 1 90 90 GLY H H 56 8.557 8.557 8.000 0.557 17707
2325 1 6 . 1 1 91 91 PHE N N 57 113.487 113.487 113.626 -0.139 17707
2326 1 6 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.894 0.698 17707
2327 1 6 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.647 -2.736 17707
2328 1 6 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.845 -1.067 17707
2329 1 6 . 1 1 91 91 PHE H H 57 6.936 6.936 7.559 -0.623 17707
2330 1 6 . 1 1 92 92 ALA N N 58 117.841 117.841 121.812 -3.971 17707
2331 1 6 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.167 0.581 17707
2332 1 6 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.337 -4.802 17707
2333 1 6 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.497 3.101 17707
2334 1 6 . 1 1 92 92 ALA H H 58 8.848 8.848 8.124 0.724 17707
2335 1 6 . 1 1 93 93 PHE N N 59 115.981 115.981 126.289 -10.308 17707
2336 1 6 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.726 0.947 17707
2337 1 6 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.165 -4.303 17707
2338 1 6 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.389 -1.491 17707
2339 1 6 . 1 1 93 93 PHE H H 59 8.824 8.824 7.764 1.060 17707
2340 1 6 . 1 1 94 94 VAL N N 60 123.120 123.120 127.332 -4.212 17707
2341 1 6 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.274 0.030 17707
2342 1 6 . 1 1 94 94 VAL CA C 60 58.931 58.931 60.766 -1.835 17707
2343 1 6 . 1 1 94 94 VAL CB C 60 31.429 31.429 33.856 -2.427 17707
2344 1 6 . 1 1 94 94 VAL H H 60 8.581 8.581 7.716 0.865 17707
2345 1 6 . 1 1 95 95 ARG N N 61 123.954 123.954 121.237 2.717 17707
2346 1 6 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.258 0.294 17707
2347 1 6 . 1 1 95 95 ARG CA C 61 50.515 50.515 53.542 -3.027 17707
2348 1 6 . 1 1 95 95 ARG H H 61 8.727 8.727 8.683 0.044 17707
2349 1 6 . 1 1 96 96 PHE N N 62 121.921 121.921 121.001 0.920 17707
2350 1 6 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.618 0.285 17707
2351 1 6 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.308 -1.742 17707
2352 1 6 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.933 -3.047 17707
2353 1 6 . 1 1 96 96 PHE H H 62 9.127 9.127 8.214 0.913 17707
2354 1 6 . 1 1 97 97 HIS N N 63 120.064 120.064 116.403 3.661 17707
2355 1 6 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.772 -0.434 17707
2356 1 6 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.453 0.809 17707
2357 1 6 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.241 -3.953 17707
2358 1 6 . 1 1 97 97 HIS H H 63 7.982 7.982 8.801 -0.819 17707
2359 1 6 . 1 1 98 98 ASP N N 64 119.665 119.665 121.512 -1.847 17707
2360 1 6 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.859 0.200 17707
2361 1 6 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.005 -4.810 17707
2362 1 6 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.411 -1.313 17707
2363 1 6 . 1 1 98 98 ASP H H 64 9.096 9.096 8.539 0.557 17707
2364 1 6 . 1 1 99 99 LYS N N 65 127.804 127.804 126.410 1.394 17707
2365 1 6 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.969 -0.124 17707
2366 1 6 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.376 -1.980 17707
2367 1 6 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.505 -2.259 17707
2368 1 6 . 1 1 99 99 LYS H H 65 8.784 8.784 8.853 -0.069 17707
2369 1 6 . 1 1 100 100 ARG N N 66 118.451 118.451 117.819 0.632 17707
2370 1 6 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.111 -0.041 17707
2371 1 6 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.104 -2.965 17707
2372 1 6 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.647 -1.881 17707
2373 1 6 . 1 1 100 100 ARG H H 66 8.600 8.600 8.747 -0.147 17707
2374 1 6 . 1 1 101 101 ASP N N 67 119.627 119.627 118.615 1.012 17707
2375 1 6 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.710 -0.516 17707
2376 1 6 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.844 -2.611 17707
2377 1 6 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.506 -2.510 17707
2378 1 6 . 1 1 101 101 ASP H H 67 7.089 7.089 8.689 -1.600 17707
2379 1 6 . 1 1 102 102 ALA N N 68 119.421 119.421 123.501 -4.080 17707
2380 1 6 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.384 -0.420 17707
2381 1 6 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.749 -3.046 17707
2382 1 6 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.844 -3.176 17707
2383 1 6 . 1 1 102 102 ALA H H 68 6.832 6.832 7.624 -0.792 17707
2384 1 6 . 1 1 103 103 GLU N N 69 117.506 117.506 117.325 0.181 17707
2385 1 6 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.907 -0.249 17707
2386 1 6 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.785 -1.623 17707
2387 1 6 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.204 -2.779 17707
2388 1 6 . 1 1 103 103 GLU H H 69 8.011 8.011 8.456 -0.445 17707
2389 1 6 . 1 1 104 104 ASP N N 70 120.487 120.487 121.076 -0.589 17707
2390 1 6 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.408 -0.142 17707
2391 1 6 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.709 -2.221 17707
2392 1 6 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.872 -3.410 17707
2393 1 6 . 1 1 104 104 ASP H H 70 8.020 8.020 7.686 0.334 17707
2394 1 6 . 1 1 105 105 ALA N N 71 122.179 122.179 120.772 1.407 17707
2395 1 6 . 1 1 105 105 ALA HA H 71 2.775 2.775 2.907 -0.132 17707
2396 1 6 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.379 -2.634 17707
2397 1 6 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.237 -1.029 17707
2398 1 6 . 1 1 105 105 ALA H H 71 8.118 8.118 7.284 0.834 17707
2399 1 6 . 1 1 106 106 MET N N 72 118.380 118.380 117.090 1.290 17707
2400 1 6 . 1 1 106 106 MET HA H 72 3.655 3.655 4.123 -0.468 17707
2401 1 6 . 1 1 106 106 MET CA C 72 57.188 57.188 58.594 -1.407 17707
2402 1 6 . 1 1 106 106 MET CB C 72 30.409 30.409 32.860 -2.451 17707
2403 1 6 . 1 1 106 106 MET H H 72 8.279 8.279 7.620 0.659 17707
2404 1 6 . 1 1 107 107 ASP N N 73 117.030 117.030 118.680 -1.650 17707
2405 1 6 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.543 -0.216 17707
2406 1 6 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.660 -1.601 17707
2407 1 6 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.896 -2.803 17707
2408 1 6 . 1 1 107 107 ASP H H 73 7.749 7.749 7.918 -0.169 17707
2409 1 6 . 1 1 108 108 ALA N N 74 117.995 117.995 119.252 -1.257 17707
2410 1 6 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.620 -0.496 17707
2411 1 6 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.767 -1.433 17707
2412 1 6 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.377 -2.718 17707
2413 1 6 . 1 1 108 108 ALA H H 74 7.347 7.347 7.519 -0.172 17707
2414 1 6 . 1 1 109 109 MET N N 75 112.202 112.202 116.694 -4.492 17707
2415 1 6 . 1 1 109 109 MET HA H 75 4.742 4.742 4.525 0.217 17707
2416 1 6 . 1 1 109 109 MET CA C 75 50.546 50.546 55.750 -5.204 17707
2417 1 6 . 1 1 109 109 MET H H 75 8.057 8.057 7.647 0.410 17707
2418 1 6 . 1 1 110 110 ASP N N 76 120.043 120.043 120.658 -0.615 17707
2419 1 6 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.436 -0.050 17707
2420 1 6 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.351 -1.406 17707
2421 1 6 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.152 -2.548 17707
2422 1 6 . 1 1 110 110 ASP H H 76 7.825 7.825 7.671 0.154 17707
2423 1 6 . 1 1 111 111 GLY N N 77 117.743 117.743 112.188 5.555 17707
2424 1 6 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.712 -2.696 17707
2425 1 6 . 1 1 111 111 GLY H H 77 8.636 8.636 8.214 0.422 17707
2426 1 6 . 1 1 112 112 ALA N N 78 123.755 123.755 123.036 0.719 17707
2427 1 6 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.467 -0.148 17707
2428 1 6 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.385 -2.349 17707
2429 1 6 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.402 -0.954 17707
2430 1 6 . 1 1 112 112 ALA H H 78 7.909 7.909 7.818 0.091 17707
2431 1 6 . 1 1 113 113 VAL N N 79 118.703 118.703 119.179 -0.476 17707
2432 1 6 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.969 0.644 17707
2433 1 6 . 1 1 113 113 VAL CB C 79 29.572 29.572 33.062 -3.490 17707
2434 1 6 . 1 1 113 113 VAL H H 79 8.083 8.083 7.493 0.590 17707
2435 1 6 . 1 1 114 114 LEU N N 80 129.473 129.473 119.231 10.242 17707
2436 1 6 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.643 -0.100 17707
2437 1 6 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.034 -4.092 17707
2438 1 6 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.825 -0.240 17707
2439 1 6 . 1 1 114 114 LEU H H 80 8.895 8.895 8.612 0.283 17707
2440 1 6 . 1 1 115 115 ASP N N 81 129.660 129.660 120.140 9.520 17707
2441 1 6 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.702 -0.473 17707
2442 1 6 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.801 -1.549 17707
2443 1 6 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.603 -4.331 17707
2444 1 6 . 1 1 115 115 ASP H H 81 9.428 9.428 7.911 1.517 17707
2445 1 6 . 1 1 116 116 GLY N N 82 100.557 100.557 107.417 -6.860 17707
2446 1 6 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.802 -1.921 17707
2447 1 6 . 1 1 116 116 GLY H H 82 7.978 7.978 7.957 0.021 17707
2448 1 6 . 1 1 117 117 ARG N N 83 120.104 120.104 119.620 0.484 17707
2449 1 6 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.614 -0.064 17707
2450 1 6 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.912 -4.806 17707
2451 1 6 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.698 -1.053 17707
2452 1 6 . 1 1 117 117 ARG H H 83 7.493 7.493 7.694 -0.201 17707
2453 1 6 . 1 1 118 118 GLU N N 84 121.206 121.206 121.630 -0.424 17707
2454 1 6 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.669 -0.366 17707
2455 1 6 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.660 -3.231 17707
2456 1 6 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.235 -5.109 17707
2457 1 6 . 1 1 118 118 GLU H H 84 8.352 8.352 8.675 -0.323 17707
2458 1 6 . 1 1 119 119 LEU N N 85 127.970 127.970 118.665 9.305 17707
2459 1 6 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.849 -0.287 17707
2460 1 6 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.429 -0.906 17707
2461 1 6 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.181 -4.370 17707
2462 1 6 . 1 1 119 119 LEU H H 85 9.349 9.349 7.831 1.518 17707
2463 1 6 . 1 1 120 120 ARG N N 86 121.001 121.001 121.291 -0.290 17707
2464 1 6 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.031 0.143 17707
2465 1 6 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.874 -3.279 17707
2466 1 6 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.164 -2.472 17707
2467 1 6 . 1 1 120 120 ARG H H 86 7.512 7.512 8.345 -0.833 17707
2468 1 6 . 1 1 121 121 VAL N N 87 125.999 125.999 124.048 1.951 17707
2469 1 6 . 1 1 121 121 VAL HA H 87 4.938 4.938 5.078 -0.140 17707
2470 1 6 . 1 1 121 121 VAL CA C 87 58.766 58.766 59.745 -0.979 17707
2471 1 6 . 1 1 121 121 VAL H H 87 9.437 9.437 7.958 1.479 17707
2472 1 6 . 1 1 122 122 GLN N N 88 121.684 121.684 125.384 -3.700 17707
2473 1 6 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.766 0.203 17707
2474 1 6 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.655 -2.756 17707
2475 1 6 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.240 -2.083 17707
2476 1 6 . 1 1 122 122 GLN H H 88 8.301 8.301 8.978 -0.677 17707
2477 1 6 . 1 1 123 123 MET N N 89 121.937 121.937 120.499 1.438 17707
2478 1 6 . 1 1 123 123 MET HA H 89 4.529 4.529 4.445 0.084 17707
2479 1 6 . 1 1 123 123 MET CA C 89 53.328 53.328 54.636 -1.308 17707
2480 1 6 . 1 1 123 123 MET CB C 89 28.750 28.750 32.474 -3.724 17707
2481 1 6 . 1 1 123 123 MET H H 89 8.714 8.714 8.852 -0.138 17707
2482 1 6 . 1 1 124 124 ALA N N 90 126.984 126.984 127.957 -0.973 17707
2483 1 6 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.306 0.111 17707
2484 1 6 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.596 -2.793 17707
2485 1 6 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.572 -4.320 17707
2486 1 6 . 1 1 124 124 ALA H H 90 8.437 8.437 8.088 0.349 17707
2487 1 6 . 1 1 125 125 ARG H H 91 9.886 9.886 8.854 1.032 17707
2488 1 6 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.171 -2.435 17707
2489 1 6 . 1 1 128 128 ARG N N 94 120.921 120.921 120.441 0.480 17707
2490 1 6 . 1 1 128 128 ARG H H 94 8.245 8.245 8.457 -0.211 17707
2491 1 6 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.738 -0.145 17707
2492 1 6 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.114 -3.125 17707
2493 1 6 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.532 -0.215 17707
2494 1 6 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.153 -3.758 17707
2495 1 6 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.364 -3.103 17707
2496 1 6 . 1 1 131 131 ASP N N 97 119.855 119.855 117.449 2.406 17707
2497 1 6 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.754 -0.262 17707
2498 1 6 . 1 1 131 131 ASP CA C 97 51.415 51.415 52.687 -1.272 17707
2499 1 6 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.718 -4.165 17707
2500 1 6 . 1 1 131 131 ASP H H 97 8.196 8.196 7.787 0.409 17707
2501 1 6 . 1 1 132 132 SER N N 98 116.150 116.150 116.663 -0.513 17707
2502 1 6 . 1 1 132 132 SER HA H 98 4.286 4.286 4.417 -0.131 17707
2503 1 6 . 1 1 132 132 SER CA C 98 55.729 55.729 59.463 -3.734 17707
2504 1 6 . 1 1 132 132 SER CB C 98 61.088 61.088 63.691 -2.603 17707
2505 1 6 . 1 1 132 132 SER H H 98 8.070 8.070 8.590 -0.520 17707
2506 1 6 . 1 1 133 133 HIS N N 99 119.771 119.771 115.454 4.317 17707
2507 1 6 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.691 -3.624 17707
2508 1 6 . 1 1 133 133 HIS H H 99 8.322 8.322 7.364 0.958 17707
2509 1 7 . 1 1 36 36 SER N N 2 116.365 116.365 115.551 0.814 17707
2510 1 7 . 1 1 36 36 SER HA H 2 4.398 4.398 4.682 -0.284 17707
2511 1 7 . 1 1 36 36 SER CA C 2 55.706 55.706 57.575 -1.869 17707
2512 1 7 . 1 1 36 36 SER CB C 2 61.260 61.260 64.655 -3.395 17707
2513 1 7 . 1 1 36 36 SER H H 2 8.112 8.112 8.266 -0.154 17707
2514 1 7 . 1 1 37 37 TYR N N 3 121.885 121.885 120.823 1.062 17707
2515 1 7 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.239 0.395 17707
2516 1 7 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.340 -2.157 17707
2517 1 7 . 1 1 37 37 TYR H H 3 8.155 8.155 8.790 -0.635 17707
2518 1 7 . 1 1 38 38 GLY N N 4 109.771 109.771 108.377 1.394 17707
2519 1 7 . 1 1 38 38 GLY H H 4 8.332 8.332 8.428 -0.096 17707
2520 1 7 . 1 1 39 39 ARG N N 5 121.087 121.087 120.577 0.510 17707
2521 1 7 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.513 0.028 17707
2522 1 7 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.691 -3.496 17707
2523 1 7 . 1 1 39 39 ARG H H 5 8.224 8.224 8.147 0.077 17707
2524 1 7 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.704 -0.465 17707
2525 1 7 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.218 -3.824 17707
2526 1 7 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.662 -0.278 17707
2527 1 7 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.356 -2.784 17707
2528 1 7 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.617 -0.344 17707
2529 1 7 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.264 -2.133 17707
2530 1 7 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.309 -4.212 17707
2531 1 7 . 1 1 43 43 ASP N N 9 119.118 119.118 118.786 0.332 17707
2532 1 7 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.938 -0.426 17707
2533 1 7 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.886 -2.345 17707
2534 1 7 . 1 1 43 43 ASP CB C 9 37.499 37.499 42.200 -4.701 17707
2535 1 7 . 1 1 43 43 ASP H H 9 8.425 8.425 8.622 -0.197 17707
2536 1 7 . 1 1 44 44 VAL N N 10 118.278 118.278 115.167 3.111 17707
2537 1 7 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.981 0.225 17707
2538 1 7 . 1 1 44 44 VAL CA C 10 59.163 59.163 63.334 -4.171 17707
2539 1 7 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.763 -2.765 17707
2540 1 7 . 1 1 44 44 VAL H H 10 7.882 7.882 7.952 -0.070 17707
2541 1 7 . 1 1 45 45 GLU N N 11 123.222 123.222 119.962 3.260 17707
2542 1 7 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.140 -0.092 17707
2543 1 7 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.155 -1.308 17707
2544 1 7 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.866 -2.419 17707
2545 1 7 . 1 1 45 45 GLU H H 11 8.328 8.328 8.309 0.019 17707
2546 1 7 . 1 1 46 46 GLY N N 12 108.993 108.993 105.921 3.072 17707
2547 1 7 . 1 1 46 46 GLY CA C 12 42.699 42.699 44.623 -1.924 17707
2548 1 7 . 1 1 46 46 GLY H H 12 8.361 8.361 7.966 0.395 17707
2549 1 7 . 1 1 47 47 MET N N 13 118.074 118.074 119.265 -1.191 17707
2550 1 7 . 1 1 47 47 MET HA H 13 4.584 4.584 4.536 0.048 17707
2551 1 7 . 1 1 47 47 MET CB C 13 31.447 31.447 33.142 -1.694 17707
2552 1 7 . 1 1 47 47 MET H H 13 7.493 7.493 7.590 -0.097 17707
2553 1 7 . 1 1 48 48 THR N N 14 118.968 118.968 116.386 2.582 17707
2554 1 7 . 1 1 48 48 THR HA H 14 4.534 4.534 4.105 0.429 17707
2555 1 7 . 1 1 48 48 THR CA C 14 60.656 60.656 64.890 -4.234 17707
2556 1 7 . 1 1 48 48 THR CB C 14 67.544 67.544 68.984 -1.440 17707
2557 1 7 . 1 1 48 48 THR H H 14 8.993 8.993 8.376 0.617 17707
2558 1 7 . 1 1 49 49 SER N N 15 123.365 123.365 114.306 9.059 17707
2559 1 7 . 1 1 49 49 SER HA H 15 5.017 5.017 4.147 0.870 17707
2560 1 7 . 1 1 49 49 SER CB C 15 61.787 61.787 61.790 -0.003 17707
2561 1 7 . 1 1 49 49 SER H H 15 9.097 9.097 7.980 1.117 17707
2562 1 7 . 1 1 50 50 LEU N N 16 124.488 124.488 121.563 2.925 17707
2563 1 7 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.096 0.912 17707
2564 1 7 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.094 -5.735 17707
2565 1 7 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.250 -2.148 17707
2566 1 7 . 1 1 50 50 LEU H H 16 9.495 9.495 7.559 1.936 17707
2567 1 7 . 1 1 51 51 LYS N N 17 123.276 123.276 120.607 2.669 17707
2568 1 7 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.200 -0.319 17707
2569 1 7 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.343 -1.918 17707
2570 1 7 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.366 -4.035 17707
2571 1 7 . 1 1 51 51 LYS H H 17 9.239 9.239 8.775 0.464 17707
2572 1 7 . 1 1 52 52 VAL N N 18 130.086 130.086 123.731 6.355 17707
2573 1 7 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.952 -0.178 17707
2574 1 7 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.468 -2.242 17707
2575 1 7 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.492 -4.570 17707
2576 1 7 . 1 1 52 52 VAL H H 18 9.136 9.136 7.605 1.531 17707
2577 1 7 . 1 1 53 53 ASP N N 19 125.621 125.621 122.449 3.172 17707
2578 1 7 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.061 0.117 17707
2579 1 7 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.895 -2.281 17707
2580 1 7 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.938 -2.391 17707
2581 1 7 . 1 1 53 53 ASP H H 19 9.312 9.312 8.858 0.454 17707
2582 1 7 . 1 1 54 54 ASN N N 20 112.496 112.496 114.880 -2.384 17707
2583 1 7 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.447 0.030 17707
2584 1 7 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.790 -2.774 17707
2585 1 7 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.945 -3.326 17707
2586 1 7 . 1 1 54 54 ASN H H 20 8.438 8.438 8.685 -0.247 17707
2587 1 7 . 1 1 55 55 LEU N N 21 114.844 114.844 118.866 -4.022 17707
2588 1 7 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.122 0.241 17707
2589 1 7 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.747 -4.740 17707
2590 1 7 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.935 0.080 17707
2591 1 7 . 1 1 55 55 LEU H H 21 7.477 7.477 8.038 -0.561 17707
2592 1 7 . 1 1 56 56 THR N N 22 111.571 111.571 118.480 -6.909 17707
2593 1 7 . 1 1 56 56 THR HA H 22 4.361 4.361 4.359 0.002 17707
2594 1 7 . 1 1 56 56 THR CA C 22 58.212 58.212 62.507 -4.295 17707
2595 1 7 . 1 1 56 56 THR CB C 22 68.233 68.233 70.120 -1.887 17707
2596 1 7 . 1 1 56 56 THR H H 22 8.341 8.341 8.243 0.098 17707
2597 1 7 . 1 1 57 57 TYR N N 23 122.008 122.008 119.573 2.435 17707
2598 1 7 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.388 -0.078 17707
2599 1 7 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.606 -3.030 17707
2600 1 7 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.498 -3.313 17707
2601 1 7 . 1 1 57 57 TYR H H 23 8.587 8.587 8.888 -0.301 17707
2602 1 7 . 1 1 58 58 ARG N N 24 114.767 114.767 116.856 -2.089 17707
2603 1 7 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.694 -0.431 17707
2604 1 7 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.625 -2.529 17707
2605 1 7 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.523 -3.119 17707
2606 1 7 . 1 1 58 58 ARG H H 24 7.262 7.262 7.831 -0.569 17707
2607 1 7 . 1 1 59 59 THR N N 25 119.267 119.267 116.851 2.416 17707
2608 1 7 . 1 1 59 59 THR HA H 25 4.015 4.015 4.622 -0.607 17707
2609 1 7 . 1 1 59 59 THR CA C 25 62.247 62.247 61.083 1.164 17707
2610 1 7 . 1 1 59 59 THR CB C 25 65.785 65.785 70.845 -5.060 17707
2611 1 7 . 1 1 59 59 THR H H 25 7.348 7.348 7.675 -0.327 17707
2612 1 7 . 1 1 60 60 SER N N 26 124.341 124.341 115.441 8.900 17707
2613 1 7 . 1 1 60 60 SER HA H 26 4.861 4.861 5.004 -0.143 17707
2614 1 7 . 1 1 60 60 SER CA C 26 52.864 52.864 55.202 -2.338 17707
2615 1 7 . 1 1 60 60 SER CB C 26 61.783 61.783 64.726 -2.943 17707
2616 1 7 . 1 1 60 60 SER H H 26 8.319 8.319 8.062 0.257 17707
2617 1 7 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.429 -0.419 17707
2618 1 7 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.139 -2.056 17707
2619 1 7 . 1 1 62 62 ASP N N 28 115.615 115.615 117.901 -2.286 17707
2620 1 7 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.529 -0.153 17707
2621 1 7 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.872 -3.191 17707
2622 1 7 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.511 -2.259 17707
2623 1 7 . 1 1 62 62 ASP H H 28 8.020 8.020 8.558 -0.538 17707
2624 1 7 . 1 1 63 63 THR N N 29 118.079 118.079 117.446 0.633 17707
2625 1 7 . 1 1 63 63 THR HA H 29 3.902 3.902 4.217 -0.315 17707
2626 1 7 . 1 1 63 63 THR CA C 29 63.729 63.729 66.307 -2.578 17707
2627 1 7 . 1 1 63 63 THR CB C 29 65.634 65.634 68.891 -3.257 17707
2628 1 7 . 1 1 63 63 THR H H 29 7.766 7.766 7.613 0.153 17707
2629 1 7 . 1 1 64 64 LEU N N 30 118.985 118.985 120.522 -1.537 17707
2630 1 7 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.243 -0.190 17707
2631 1 7 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.674 -2.696 17707
2632 1 7 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.966 -1.135 17707
2633 1 7 . 1 1 64 64 LEU H H 30 7.495 7.495 8.445 -0.950 17707
2634 1 7 . 1 1 65 65 ARG N N 31 119.245 119.245 120.326 -1.081 17707
2635 1 7 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.214 -0.570 17707
2636 1 7 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.550 -0.195 17707
2637 1 7 . 1 1 65 65 ARG H H 31 8.583 8.583 7.825 0.758 17707
2638 1 7 . 1 1 66 66 ARG N N 32 115.695 115.695 118.174 -2.479 17707
2639 1 7 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.252 -0.180 17707
2640 1 7 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.276 -1.602 17707
2641 1 7 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.186 -1.628 17707
2642 1 7 . 1 1 66 66 ARG H H 32 7.707 7.707 7.705 0.002 17707
2643 1 7 . 1 1 67 67 VAL N N 33 115.500 115.500 118.342 -2.842 17707
2644 1 7 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.015 -0.123 17707
2645 1 7 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.572 -2.916 17707
2646 1 7 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.326 -2.770 17707
2647 1 7 . 1 1 67 67 VAL H H 33 7.739 7.739 8.059 -0.320 17707
2648 1 7 . 1 1 68 68 PHE N N 34 116.290 116.290 116.415 -0.125 17707
2649 1 7 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.982 -0.484 17707
2650 1 7 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.279 0.749 17707
2651 1 7 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.918 -4.726 17707
2652 1 7 . 1 1 68 68 PHE H H 34 8.253 8.253 7.611 0.642 17707
2653 1 7 . 1 1 69 69 GLU N N 35 119.333 119.333 121.967 -2.634 17707
2654 1 7 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.019 1.016 17707
2655 1 7 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.656 -4.674 17707
2656 1 7 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.471 -3.297 17707
2657 1 7 . 1 1 69 69 GLU H H 35 8.583 8.583 8.673 -0.090 17707
2658 1 7 . 1 1 70 70 LYS N N 36 118.341 118.341 117.374 0.967 17707
2659 1 7 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.137 -0.245 17707
2660 1 7 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.233 -2.773 17707
2661 1 7 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.585 -2.361 17707
2662 1 7 . 1 1 70 70 LYS H H 36 6.871 6.871 8.418 -1.547 17707
2663 1 7 . 1 1 71 71 TYR N N 37 115.014 115.014 119.027 -4.013 17707
2664 1 7 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.356 -0.049 17707
2665 1 7 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.103 -3.869 17707
2666 1 7 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.030 -2.395 17707
2667 1 7 . 1 1 71 71 TYR H H 37 7.611 7.611 7.715 -0.104 17707
2668 1 7 . 1 1 72 72 GLY N N 38 104.741 104.741 105.823 -1.082 17707
2669 1 7 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.349 -3.720 17707
2670 1 7 . 1 1 72 72 GLY H H 38 7.356 7.356 7.978 -0.622 17707
2671 1 7 . 1 1 73 73 ARG N N 39 115.783 115.783 118.923 -3.140 17707
2672 1 7 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.573 -0.205 17707
2673 1 7 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.038 -0.335 17707
2674 1 7 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.717 -4.865 17707
2675 1 7 . 1 1 73 73 ARG H H 39 7.990 7.990 8.032 -0.042 17707
2676 1 7 . 1 1 74 74 VAL N N 40 130.246 130.246 118.276 11.970 17707
2677 1 7 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.916 -0.217 17707
2678 1 7 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.038 -1.555 17707
2679 1 7 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.020 -4.721 17707
2680 1 7 . 1 1 74 74 VAL H H 40 8.846 8.846 8.274 0.572 17707
2681 1 7 . 1 1 75 75 GLY N N 41 114.952 114.952 111.761 3.191 17707
2682 1 7 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.700 -1.795 17707
2683 1 7 . 1 1 75 75 GLY H H 41 8.943 8.943 8.788 0.155 17707
2684 1 7 . 1 1 76 76 ASP N N 42 115.344 115.344 117.956 -2.612 17707
2685 1 7 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.843 -0.131 17707
2686 1 7 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.678 -1.164 17707
2687 1 7 . 1 1 76 76 ASP H H 42 7.224 7.224 7.501 -0.277 17707
2688 1 7 . 1 1 77 77 VAL N N 43 122.703 122.703 122.647 0.056 17707
2689 1 7 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.371 0.352 17707
2690 1 7 . 1 1 77 77 VAL CA C 43 59.347 59.347 62.179 -2.832 17707
2691 1 7 . 1 1 77 77 VAL CB C 43 32.582 32.582 32.846 -0.264 17707
2692 1 7 . 1 1 77 77 VAL H H 43 7.551 7.551 8.224 -0.673 17707
2693 1 7 . 1 1 78 78 TYR N N 44 125.956 125.956 125.096 0.860 17707
2694 1 7 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.633 0.338 17707
2695 1 7 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.866 -2.560 17707
2696 1 7 . 1 1 78 78 TYR H H 44 9.023 9.023 8.345 0.678 17707
2697 1 7 . 1 1 79 79 ILE N N 45 129.856 129.856 120.368 9.488 17707
2698 1 7 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.150 0.106 17707
2699 1 7 . 1 1 79 79 ILE CA C 45 55.398 55.398 56.728 -1.330 17707
2700 1 7 . 1 1 79 79 ILE CB C 45 36.314 36.314 36.224 0.090 17707
2701 1 7 . 1 1 79 79 ILE H H 45 8.231 8.231 7.946 0.285 17707
2702 1 7 . 1 1 80 80 PRO HA H 46 3.904 3.904 3.731 0.173 17707
2703 1 7 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.503 -3.862 17707
2704 1 7 . 1 1 81 81 ARG H H 47 8.593 8.593 7.628 0.965 17707
2705 1 7 . 1 1 82 82 ASP N N 48 125.712 125.712 122.738 2.974 17707
2706 1 7 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.582 -0.200 17707
2707 1 7 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.009 -1.550 17707
2708 1 7 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.838 0.470 17707
2709 1 7 . 1 1 82 82 ASP H H 48 8.948 8.948 8.118 0.830 17707
2710 1 7 . 1 1 83 83 ARG N N 49 125.207 125.207 124.124 1.083 17707
2711 1 7 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.945 -0.249 17707
2712 1 7 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.396 -2.782 17707
2713 1 7 . 1 1 83 83 ARG H H 49 8.688 8.688 8.244 0.444 17707
2714 1 7 . 1 1 84 84 TYR N N 50 117.911 117.911 109.222 8.689 17707
2715 1 7 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.779 -0.185 17707
2716 1 7 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.119 0.647 17707
2717 1 7 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.277 -3.090 17707
2718 1 7 . 1 1 84 84 TYR H H 50 8.449 8.449 7.171 1.278 17707
2719 1 7 . 1 1 85 85 THR N N 51 110.450 110.450 111.904 -1.454 17707
2720 1 7 . 1 1 85 85 THR HA H 51 4.230 4.230 4.559 -0.329 17707
2721 1 7 . 1 1 85 85 THR CA C 51 59.620 59.620 61.831 -2.211 17707
2722 1 7 . 1 1 85 85 THR CB C 51 67.745 67.745 70.566 -2.821 17707
2723 1 7 . 1 1 85 85 THR H H 51 9.141 9.141 7.740 1.401 17707
2724 1 7 . 1 1 86 86 LYS N N 52 113.570 113.570 119.993 -6.423 17707
2725 1 7 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.830 0.125 17707
2726 1 7 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.655 -3.227 17707
2727 1 7 . 1 1 86 86 LYS H H 52 7.821 7.821 8.442 -0.621 17707
2728 1 7 . 1 1 87 87 GLU N N 53 118.364 118.364 115.454 2.910 17707
2729 1 7 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.381 -0.001 17707
2730 1 7 . 1 1 87 87 GLU CA C 53 52.641 52.641 55.568 -2.927 17707
2731 1 7 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.130 -1.288 17707
2732 1 7 . 1 1 87 87 GLU H H 53 7.714 7.714 7.811 -0.097 17707
2733 1 7 . 1 1 88 88 SER N N 54 115.692 115.692 115.751 -0.059 17707
2734 1 7 . 1 1 88 88 SER CB C 54 61.369 61.369 63.172 -1.803 17707
2735 1 7 . 1 1 88 88 SER H H 54 8.705 8.705 8.296 0.409 17707
2736 1 7 . 1 1 89 89 ARG N N 55 122.170 122.170 119.175 2.995 17707
2737 1 7 . 1 1 89 89 ARG HA H 55 4.317 4.317 3.837 0.480 17707
2738 1 7 . 1 1 89 89 ARG CA C 55 53.794 53.794 57.407 -3.613 17707
2739 1 7 . 1 1 89 89 ARG H H 55 7.934 7.934 7.414 0.520 17707
2740 1 7 . 1 1 90 90 GLY N N 56 106.948 106.948 106.807 0.141 17707
2741 1 7 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.091 -1.816 17707
2742 1 7 . 1 1 90 90 GLY H H 56 8.557 8.557 8.602 -0.045 17707
2743 1 7 . 1 1 91 91 PHE N N 57 113.487 113.487 114.501 -1.014 17707
2744 1 7 . 1 1 91 91 PHE HA H 57 5.592 5.592 5.027 0.565 17707
2745 1 7 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.072 -3.161 17707
2746 1 7 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.288 -0.510 17707
2747 1 7 . 1 1 91 91 PHE H H 57 6.936 6.936 7.296 -0.360 17707
2748 1 7 . 1 1 92 92 ALA N N 58 117.841 117.841 122.000 -4.159 17707
2749 1 7 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.468 0.280 17707
2750 1 7 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.176 -4.641 17707
2751 1 7 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.996 2.602 17707
2752 1 7 . 1 1 92 92 ALA H H 58 8.848 8.848 8.312 0.536 17707
2753 1 7 . 1 1 93 93 PHE N N 59 115.981 115.981 127.778 -11.797 17707
2754 1 7 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.853 0.820 17707
2755 1 7 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.025 -4.163 17707
2756 1 7 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.147 -2.249 17707
2757 1 7 . 1 1 93 93 PHE H H 59 8.824 8.824 8.083 0.741 17707
2758 1 7 . 1 1 94 94 VAL N N 60 123.120 123.120 124.012 -0.892 17707
2759 1 7 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.452 -0.148 17707
2760 1 7 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.364 -0.433 17707
2761 1 7 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.541 -4.112 17707
2762 1 7 . 1 1 94 94 VAL H H 60 8.581 8.581 7.652 0.929 17707
2763 1 7 . 1 1 95 95 ARG N N 61 123.954 123.954 120.565 3.389 17707
2764 1 7 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.327 0.225 17707
2765 1 7 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.251 -3.736 17707
2766 1 7 . 1 1 95 95 ARG H H 61 8.727 8.727 8.723 0.004 17707
2767 1 7 . 1 1 96 96 PHE N N 62 121.921 121.921 121.942 -0.021 17707
2768 1 7 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.676 0.227 17707
2769 1 7 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.979 -1.413 17707
2770 1 7 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.951 -3.065 17707
2771 1 7 . 1 1 96 96 PHE H H 62 9.127 9.127 8.311 0.816 17707
2772 1 7 . 1 1 97 97 HIS N N 63 120.064 120.064 115.208 4.856 17707
2773 1 7 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.807 -0.469 17707
2774 1 7 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.280 0.981 17707
2775 1 7 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.033 -4.745 17707
2776 1 7 . 1 1 97 97 HIS H H 63 7.982 7.982 8.911 -0.929 17707
2777 1 7 . 1 1 98 98 ASP N N 64 119.665 119.665 122.008 -2.343 17707
2778 1 7 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.831 0.228 17707
2779 1 7 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.155 -4.960 17707
2780 1 7 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.848 -0.750 17707
2781 1 7 . 1 1 98 98 ASP H H 64 9.096 9.096 8.461 0.635 17707
2782 1 7 . 1 1 99 99 LYS N N 65 127.804 127.804 127.264 0.540 17707
2783 1 7 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.937 -0.092 17707
2784 1 7 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.427 -2.031 17707
2785 1 7 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.418 -2.172 17707
2786 1 7 . 1 1 99 99 LYS H H 65 8.784 8.784 8.899 -0.115 17707
2787 1 7 . 1 1 100 100 ARG N N 66 118.451 118.451 117.553 0.898 17707
2788 1 7 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.126 -0.056 17707
2789 1 7 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.104 -2.965 17707
2790 1 7 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.659 -1.893 17707
2791 1 7 . 1 1 100 100 ARG H H 66 8.600 8.600 8.724 -0.124 17707
2792 1 7 . 1 1 101 101 ASP N N 67 119.627 119.627 119.255 0.372 17707
2793 1 7 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.713 -0.519 17707
2794 1 7 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.759 -2.526 17707
2795 1 7 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.461 -2.465 17707
2796 1 7 . 1 1 101 101 ASP H H 67 7.089 7.089 8.543 -1.454 17707
2797 1 7 . 1 1 102 102 ALA N N 68 119.421 119.421 123.679 -4.258 17707
2798 1 7 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.620 -0.656 17707
2799 1 7 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.930 -3.227 17707
2800 1 7 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.793 -3.125 17707
2801 1 7 . 1 1 102 102 ALA H H 68 6.832 6.832 7.761 -0.929 17707
2802 1 7 . 1 1 103 103 GLU N N 69 117.506 117.506 117.677 -0.171 17707
2803 1 7 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.943 -0.285 17707
2804 1 7 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.892 -1.730 17707
2805 1 7 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.379 -2.954 17707
2806 1 7 . 1 1 103 103 GLU H H 69 8.011 8.011 8.559 -0.548 17707
2807 1 7 . 1 1 104 104 ASP N N 70 120.487 120.487 120.540 -0.053 17707
2808 1 7 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.441 -0.175 17707
2809 1 7 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.845 -2.357 17707
2810 1 7 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.072 -3.610 17707
2811 1 7 . 1 1 104 104 ASP H H 70 8.020 8.020 7.643 0.377 17707
2812 1 7 . 1 1 105 105 ALA N N 71 122.179 122.179 120.619 1.560 17707
2813 1 7 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.374 -0.599 17707
2814 1 7 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.587 -2.842 17707
2815 1 7 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.486 -1.278 17707
2816 1 7 . 1 1 105 105 ALA H H 71 8.118 8.118 7.299 0.819 17707
2817 1 7 . 1 1 106 106 MET N N 72 118.380 118.380 115.342 3.038 17707
2818 1 7 . 1 1 106 106 MET HA H 72 3.655 3.655 4.203 -0.548 17707
2819 1 7 . 1 1 106 106 MET CA C 72 57.188 57.188 58.516 -1.328 17707
2820 1 7 . 1 1 106 106 MET CB C 72 30.409 30.409 32.780 -2.371 17707
2821 1 7 . 1 1 106 106 MET H H 72 8.279 8.279 7.557 0.722 17707
2822 1 7 . 1 1 107 107 ASP N N 73 117.030 117.030 120.150 -3.120 17707
2823 1 7 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.551 -0.224 17707
2824 1 7 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.636 -1.577 17707
2825 1 7 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.912 -2.819 17707
2826 1 7 . 1 1 107 107 ASP H H 73 7.749 7.749 7.776 -0.027 17707
2827 1 7 . 1 1 108 108 ALA N N 74 117.995 117.995 120.037 -2.042 17707
2828 1 7 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.585 -0.461 17707
2829 1 7 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.546 -1.212 17707
2830 1 7 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.500 -2.841 17707
2831 1 7 . 1 1 108 108 ALA H H 74 7.347 7.347 7.281 0.066 17707
2832 1 7 . 1 1 109 109 MET N N 75 112.202 112.202 116.191 -3.989 17707
2833 1 7 . 1 1 109 109 MET HA H 75 4.742 4.742 4.567 0.175 17707
2834 1 7 . 1 1 109 109 MET CA C 75 50.546 50.546 55.620 -5.074 17707
2835 1 7 . 1 1 109 109 MET H H 75 8.057 8.057 7.581 0.476 17707
2836 1 7 . 1 1 110 110 ASP N N 76 120.043 120.043 120.681 -0.638 17707
2837 1 7 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.450 -0.064 17707
2838 1 7 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.426 -1.481 17707
2839 1 7 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.293 -2.689 17707
2840 1 7 . 1 1 110 110 ASP H H 76 7.825 7.825 7.637 0.188 17707
2841 1 7 . 1 1 111 111 GLY N N 77 117.743 117.743 112.259 5.484 17707
2842 1 7 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.646 -2.630 17707
2843 1 7 . 1 1 111 111 GLY H H 77 8.636 8.636 8.422 0.214 17707
2844 1 7 . 1 1 112 112 ALA N N 78 123.755 123.755 124.173 -0.418 17707
2845 1 7 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.523 -0.204 17707
2846 1 7 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.296 -2.260 17707
2847 1 7 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.471 -1.023 17707
2848 1 7 . 1 1 112 112 ALA H H 78 7.909 7.909 7.569 0.340 17707
2849 1 7 . 1 1 113 113 VAL N N 79 118.703 118.703 118.553 0.150 17707
2850 1 7 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.990 0.623 17707
2851 1 7 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.542 -2.970 17707
2852 1 7 . 1 1 113 113 VAL H H 79 8.083 8.083 7.452 0.631 17707
2853 1 7 . 1 1 114 114 LEU N N 80 129.473 129.473 118.771 10.702 17707
2854 1 7 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.609 -0.066 17707
2855 1 7 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.889 -3.947 17707
2856 1 7 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.910 -0.325 17707
2857 1 7 . 1 1 114 114 LEU H H 80 8.895 8.895 8.410 0.485 17707
2858 1 7 . 1 1 115 115 ASP N N 81 129.660 129.660 120.317 9.343 17707
2859 1 7 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.736 -0.507 17707
2860 1 7 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.608 -1.356 17707
2861 1 7 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.392 -4.120 17707
2862 1 7 . 1 1 115 115 ASP H H 81 9.428 9.428 7.926 1.502 17707
2863 1 7 . 1 1 116 116 GLY N N 82 100.557 100.557 107.872 -7.315 17707
2864 1 7 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.910 -2.029 17707
2865 1 7 . 1 1 116 116 GLY H H 82 7.978 7.978 8.028 -0.050 17707
2866 1 7 . 1 1 117 117 ARG N N 83 120.104 120.104 120.220 -0.116 17707
2867 1 7 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.509 0.041 17707
2868 1 7 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.766 -4.660 17707
2869 1 7 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.454 -0.809 17707
2870 1 7 . 1 1 117 117 ARG H H 83 7.493 7.493 7.552 -0.059 17707
2871 1 7 . 1 1 118 118 GLU N N 84 121.206 121.206 121.559 -0.353 17707
2872 1 7 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.585 -0.282 17707
2873 1 7 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.524 -3.095 17707
2874 1 7 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.872 -4.746 17707
2875 1 7 . 1 1 118 118 GLU H H 84 8.352 8.352 8.624 -0.272 17707
2876 1 7 . 1 1 119 119 LEU N N 85 127.970 127.970 119.257 8.713 17707
2877 1 7 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.931 -0.369 17707
2878 1 7 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.035 -0.512 17707
2879 1 7 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.235 -4.424 17707
2880 1 7 . 1 1 119 119 LEU H H 85 9.349 9.349 7.743 1.606 17707
2881 1 7 . 1 1 120 120 ARG N N 86 121.001 121.001 120.164 0.837 17707
2882 1 7 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.060 0.114 17707
2883 1 7 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.633 -3.038 17707
2884 1 7 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.404 -2.712 17707
2885 1 7 . 1 1 120 120 ARG H H 86 7.512 7.512 8.160 -0.648 17707
2886 1 7 . 1 1 121 121 VAL N N 87 125.999 125.999 123.506 2.493 17707
2887 1 7 . 1 1 121 121 VAL HA H 87 4.938 4.938 5.045 -0.107 17707
2888 1 7 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.835 -2.069 17707
2889 1 7 . 1 1 121 121 VAL H H 87 9.437 9.437 9.140 0.297 17707
2890 1 7 . 1 1 122 122 GLN N N 88 121.684 121.684 124.555 -2.871 17707
2891 1 7 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.559 0.410 17707
2892 1 7 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.322 -3.423 17707
2893 1 7 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.157 -2.000 17707
2894 1 7 . 1 1 122 122 GLN H H 88 8.301 8.301 8.785 -0.484 17707
2895 1 7 . 1 1 123 123 MET N N 89 121.937 121.937 119.924 2.013 17707
2896 1 7 . 1 1 123 123 MET HA H 89 4.529 4.529 4.401 0.128 17707
2897 1 7 . 1 1 123 123 MET CA C 89 53.328 53.328 55.034 -1.706 17707
2898 1 7 . 1 1 123 123 MET CB C 89 28.750 28.750 32.548 -3.798 17707
2899 1 7 . 1 1 123 123 MET H H 89 8.714 8.714 8.692 0.022 17707
2900 1 7 . 1 1 124 124 ALA N N 90 126.984 126.984 127.814 -0.830 17707
2901 1 7 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.341 0.076 17707
2902 1 7 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.275 -2.472 17707
2903 1 7 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.602 -4.350 17707
2904 1 7 . 1 1 124 124 ALA H H 90 8.437 8.437 8.229 0.208 17707
2905 1 7 . 1 1 125 125 ARG H H 91 9.886 9.886 8.873 1.013 17707
2906 1 7 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.388 -2.652 17707
2907 1 7 . 1 1 128 128 ARG N N 94 120.921 120.921 120.367 0.554 17707
2908 1 7 . 1 1 128 128 ARG H H 94 8.245 8.245 8.229 0.016 17707
2909 1 7 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.325 0.268 17707
2910 1 7 . 1 1 129 129 PRO CA C 95 58.989 58.989 63.002 -4.013 17707
2911 1 7 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.393 -0.076 17707
2912 1 7 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.446 -4.051 17707
2913 1 7 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.740 -3.479 17707
2914 1 7 . 1 1 131 131 ASP N N 97 119.855 119.855 114.999 4.856 17707
2915 1 7 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.642 -0.150 17707
2916 1 7 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.589 -3.174 17707
2917 1 7 . 1 1 131 131 ASP CB C 97 38.553 38.553 40.732 -2.179 17707
2918 1 7 . 1 1 131 131 ASP H H 97 8.196 8.196 8.396 -0.200 17707
2919 1 7 . 1 1 132 132 SER N N 98 116.150 116.150 116.157 -0.007 17707
2920 1 7 . 1 1 132 132 SER HA H 98 4.286 4.286 4.469 -0.183 17707
2921 1 7 . 1 1 132 132 SER CA C 98 55.729 55.729 60.354 -4.625 17707
2922 1 7 . 1 1 132 132 SER CB C 98 61.088 61.088 63.370 -2.282 17707
2923 1 7 . 1 1 132 132 SER H H 98 8.070 8.070 8.503 -0.433 17707
2924 1 7 . 1 1 133 133 HIS N N 99 119.771 119.771 112.715 7.056 17707
2925 1 7 . 1 1 133 133 HIS CB C 99 27.067 27.067 29.832 -2.765 17707
2926 1 7 . 1 1 133 133 HIS H H 99 8.322 8.322 7.706 0.616 17707
2927 1 8 . 1 1 36 36 SER N N 2 116.365 116.365 116.025 0.340 17707
2928 1 8 . 1 1 36 36 SER HA H 2 4.398 4.398 4.409 -0.011 17707
2929 1 8 . 1 1 36 36 SER CA C 2 55.706 55.706 57.998 -2.292 17707
2930 1 8 . 1 1 36 36 SER CB C 2 61.260 61.260 63.964 -2.704 17707
2931 1 8 . 1 1 36 36 SER H H 2 8.112 8.112 8.413 -0.301 17707
2932 1 8 . 1 1 37 37 TYR N N 3 121.885 121.885 121.366 0.519 17707
2933 1 8 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.142 0.492 17707
2934 1 8 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.411 -2.228 17707
2935 1 8 . 1 1 37 37 TYR H H 3 8.155 8.155 8.549 -0.394 17707
2936 1 8 . 1 1 38 38 GLY N N 4 109.771 109.771 107.026 2.745 17707
2937 1 8 . 1 1 38 38 GLY H H 4 8.332 8.332 8.437 -0.105 17707
2938 1 8 . 1 1 39 39 ARG N N 5 121.087 121.087 116.864 4.223 17707
2939 1 8 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.367 0.174 17707
2940 1 8 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.044 -3.849 17707
2941 1 8 . 1 1 39 39 ARG H H 5 8.224 8.224 8.130 0.094 17707
2942 1 8 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.693 -0.454 17707
2943 1 8 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.389 -3.995 17707
2944 1 8 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.746 -0.362 17707
2945 1 8 . 1 1 41 41 PRO CA C 7 58.572 58.572 60.592 -2.020 17707
2946 1 8 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.475 -0.202 17707
2947 1 8 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.442 -2.311 17707
2948 1 8 . 1 1 42 42 PRO CB C 8 29.097 29.097 32.787 -3.690 17707
2949 1 8 . 1 1 43 43 ASP N N 9 119.118 119.118 119.758 -0.640 17707
2950 1 8 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.559 -0.047 17707
2951 1 8 . 1 1 43 43 ASP CA C 9 51.541 51.541 55.328 -3.787 17707
2952 1 8 . 1 1 43 43 ASP CB C 9 37.499 37.499 39.280 -1.781 17707
2953 1 8 . 1 1 43 43 ASP H H 9 8.425 8.425 8.905 -0.480 17707
2954 1 8 . 1 1 44 44 VAL N N 10 118.278 118.278 114.350 3.928 17707
2955 1 8 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.839 0.367 17707
2956 1 8 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.220 -5.057 17707
2957 1 8 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.683 -2.685 17707
2958 1 8 . 1 1 44 44 VAL H H 10 7.882 7.882 7.863 0.019 17707
2959 1 8 . 1 1 45 45 GLU N N 11 123.222 123.222 119.735 3.487 17707
2960 1 8 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.173 -0.125 17707
2961 1 8 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.452 -1.605 17707
2962 1 8 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.500 -3.053 17707
2963 1 8 . 1 1 45 45 GLU H H 11 8.328 8.328 8.410 -0.082 17707
2964 1 8 . 1 1 46 46 GLY N N 12 108.993 108.993 106.466 2.527 17707
2965 1 8 . 1 1 46 46 GLY CA C 12 42.699 42.699 44.840 -2.141 17707
2966 1 8 . 1 1 46 46 GLY H H 12 8.361 8.361 7.827 0.534 17707
2967 1 8 . 1 1 47 47 MET N N 13 118.074 118.074 118.336 -0.262 17707
2968 1 8 . 1 1 47 47 MET HA H 13 4.584 4.584 4.473 0.111 17707
2969 1 8 . 1 1 47 47 MET CB C 13 31.447 31.447 33.396 -1.949 17707
2970 1 8 . 1 1 47 47 MET H H 13 7.493 7.493 7.739 -0.246 17707
2971 1 8 . 1 1 48 48 THR N N 14 118.968 118.968 113.746 5.222 17707
2972 1 8 . 1 1 48 48 THR HA H 14 4.534 4.534 4.186 0.348 17707
2973 1 8 . 1 1 48 48 THR CA C 14 60.656 60.656 64.731 -4.075 17707
2974 1 8 . 1 1 48 48 THR CB C 14 67.544 67.544 69.229 -1.685 17707
2975 1 8 . 1 1 48 48 THR H H 14 8.993 8.993 8.318 0.675 17707
2976 1 8 . 1 1 49 49 SER N N 15 123.365 123.365 114.064 9.301 17707
2977 1 8 . 1 1 49 49 SER HA H 15 5.017 5.017 4.088 0.929 17707
2978 1 8 . 1 1 49 49 SER CB C 15 61.787 61.787 61.988 -0.201 17707
2979 1 8 . 1 1 49 49 SER H H 15 9.097 9.097 7.902 1.195 17707
2980 1 8 . 1 1 50 50 LEU N N 16 124.488 124.488 121.412 3.076 17707
2981 1 8 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.212 0.796 17707
2982 1 8 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.460 -5.101 17707
2983 1 8 . 1 1 50 50 LEU CB C 16 41.102 41.102 42.312 -1.210 17707
2984 1 8 . 1 1 50 50 LEU H H 16 9.495 9.495 7.384 2.111 17707
2985 1 8 . 1 1 51 51 LYS N N 17 123.276 123.276 124.156 -0.880 17707
2986 1 8 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.043 -0.162 17707
2987 1 8 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.027 -1.602 17707
2988 1 8 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.537 -3.206 17707
2989 1 8 . 1 1 51 51 LYS H H 17 9.239 9.239 8.217 1.022 17707
2990 1 8 . 1 1 52 52 VAL N N 18 130.086 130.086 118.935 11.151 17707
2991 1 8 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.568 0.206 17707
2992 1 8 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.953 -2.727 17707
2993 1 8 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.191 -4.269 17707
2994 1 8 . 1 1 52 52 VAL H H 18 9.136 9.136 7.622 1.514 17707
2995 1 8 . 1 1 53 53 ASP N N 19 125.621 125.621 122.739 2.882 17707
2996 1 8 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.052 0.126 17707
2997 1 8 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.955 -2.341 17707
2998 1 8 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.313 -2.766 17707
2999 1 8 . 1 1 53 53 ASP H H 19 9.312 9.312 8.869 0.443 17707
3000 1 8 . 1 1 54 54 ASN N N 20 112.496 112.496 116.249 -3.753 17707
3001 1 8 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.456 0.021 17707
3002 1 8 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.830 -2.814 17707
3003 1 8 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.499 -2.880 17707
3004 1 8 . 1 1 54 54 ASN H H 20 8.438 8.438 8.647 -0.209 17707
3005 1 8 . 1 1 55 55 LEU N N 21 114.844 114.844 117.585 -2.741 17707
3006 1 8 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.242 0.121 17707
3007 1 8 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.069 -5.062 17707
3008 1 8 . 1 1 55 55 LEU CB C 21 41.016 41.016 42.476 -1.460 17707
3009 1 8 . 1 1 55 55 LEU H H 21 7.477 7.477 7.801 -0.324 17707
3010 1 8 . 1 1 56 56 THR N N 22 111.571 111.571 114.430 -2.859 17707
3011 1 8 . 1 1 56 56 THR HA H 22 4.361 4.361 4.721 -0.360 17707
3012 1 8 . 1 1 56 56 THR CA C 22 58.212 58.212 60.498 -2.287 17707
3013 1 8 . 1 1 56 56 THR CB C 22 68.233 68.233 72.066 -3.833 17707
3014 1 8 . 1 1 56 56 THR H H 22 8.341 8.341 7.936 0.405 17707
3015 1 8 . 1 1 57 57 TYR N N 23 122.008 122.008 120.034 1.974 17707
3016 1 8 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.359 -0.049 17707
3017 1 8 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.837 -3.261 17707
3018 1 8 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.690 -3.505 17707
3019 1 8 . 1 1 57 57 TYR H H 23 8.587 8.587 8.850 -0.263 17707
3020 1 8 . 1 1 58 58 ARG N N 24 114.767 114.767 116.848 -2.081 17707
3021 1 8 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.657 -0.394 17707
3022 1 8 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.515 -2.419 17707
3023 1 8 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.755 -3.350 17707
3024 1 8 . 1 1 58 58 ARG H H 24 7.262 7.262 7.759 -0.497 17707
3025 1 8 . 1 1 59 59 THR N N 25 119.267 119.267 116.920 2.347 17707
3026 1 8 . 1 1 59 59 THR HA H 25 4.015 4.015 4.670 -0.655 17707
3027 1 8 . 1 1 59 59 THR CA C 25 62.247 62.247 61.132 1.115 17707
3028 1 8 . 1 1 59 59 THR CB C 25 65.785 65.785 71.328 -5.543 17707
3029 1 8 . 1 1 59 59 THR H H 25 7.348 7.348 7.775 -0.427 17707
3030 1 8 . 1 1 60 60 SER N N 26 124.341 124.341 114.807 9.534 17707
3031 1 8 . 1 1 60 60 SER HA H 26 4.861 4.861 4.980 -0.119 17707
3032 1 8 . 1 1 60 60 SER CA C 26 52.864 52.864 55.486 -2.623 17707
3033 1 8 . 1 1 60 60 SER CB C 26 61.783 61.783 64.502 -2.719 17707
3034 1 8 . 1 1 60 60 SER H H 26 8.319 8.319 8.080 0.239 17707
3035 1 8 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.415 -0.405 17707
3036 1 8 . 1 1 61 61 PRO CA C 27 63.083 63.083 64.883 -1.800 17707
3037 1 8 . 1 1 62 62 ASP N N 28 115.615 115.615 118.240 -2.625 17707
3038 1 8 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.478 -0.102 17707
3039 1 8 . 1 1 62 62 ASP CA C 28 54.681 54.681 58.084 -3.403 17707
3040 1 8 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.421 -2.169 17707
3041 1 8 . 1 1 62 62 ASP H H 28 8.020 8.020 8.560 -0.540 17707
3042 1 8 . 1 1 63 63 THR N N 29 118.079 118.079 117.344 0.735 17707
3043 1 8 . 1 1 63 63 THR HA H 29 3.902 3.902 4.202 -0.300 17707
3044 1 8 . 1 1 63 63 THR CA C 29 63.729 63.729 66.296 -2.567 17707
3045 1 8 . 1 1 63 63 THR CB C 29 65.634 65.634 68.907 -3.273 17707
3046 1 8 . 1 1 63 63 THR H H 29 7.766 7.766 7.672 0.094 17707
3047 1 8 . 1 1 64 64 LEU N N 30 118.985 118.985 120.252 -1.267 17707
3048 1 8 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.257 -0.204 17707
3049 1 8 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.417 -2.439 17707
3050 1 8 . 1 1 64 64 LEU CB C 30 39.831 39.831 41.069 -1.238 17707
3051 1 8 . 1 1 64 64 LEU H H 30 7.495 7.495 8.370 -0.875 17707
3052 1 8 . 1 1 65 65 ARG N N 31 119.245 119.245 120.371 -1.126 17707
3053 1 8 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.240 -0.596 17707
3054 1 8 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.515 -0.159 17707
3055 1 8 . 1 1 65 65 ARG H H 31 8.583 8.583 7.881 0.702 17707
3056 1 8 . 1 1 66 66 ARG N N 32 115.695 115.695 118.183 -2.488 17707
3057 1 8 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.280 -0.208 17707
3058 1 8 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.291 -1.617 17707
3059 1 8 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.265 -1.707 17707
3060 1 8 . 1 1 66 66 ARG H H 32 7.707 7.707 7.724 -0.017 17707
3061 1 8 . 1 1 67 67 VAL N N 33 115.500 115.500 117.206 -1.706 17707
3062 1 8 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.039 -0.147 17707
3063 1 8 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.569 -1.913 17707
3064 1 8 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.531 -2.975 17707
3065 1 8 . 1 1 67 67 VAL H H 33 7.739 7.739 7.832 -0.093 17707
3066 1 8 . 1 1 68 68 PHE N N 34 116.290 116.290 116.207 0.083 17707
3067 1 8 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.947 -0.449 17707
3068 1 8 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.403 0.625 17707
3069 1 8 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.841 -4.649 17707
3070 1 8 . 1 1 68 68 PHE H H 34 8.253 8.253 7.619 0.634 17707
3071 1 8 . 1 1 69 69 GLU N N 35 119.333 119.333 121.578 -2.245 17707
3072 1 8 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.059 0.976 17707
3073 1 8 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.499 -4.517 17707
3074 1 8 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.580 -3.406 17707
3075 1 8 . 1 1 69 69 GLU H H 35 8.583 8.583 8.718 -0.135 17707
3076 1 8 . 1 1 70 70 LYS N N 36 118.341 118.341 117.462 0.879 17707
3077 1 8 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.120 -0.228 17707
3078 1 8 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.187 -2.728 17707
3079 1 8 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.480 -2.256 17707
3080 1 8 . 1 1 70 70 LYS H H 36 6.871 6.871 8.389 -1.518 17707
3081 1 8 . 1 1 71 71 TYR N N 37 115.014 115.014 118.690 -3.676 17707
3082 1 8 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.349 -0.042 17707
3083 1 8 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.001 -3.767 17707
3084 1 8 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.040 -2.405 17707
3085 1 8 . 1 1 71 71 TYR H H 37 7.611 7.611 7.679 -0.068 17707
3086 1 8 . 1 1 72 72 GLY N N 38 104.741 104.741 105.895 -1.154 17707
3087 1 8 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.331 -3.702 17707
3088 1 8 . 1 1 72 72 GLY H H 38 7.356 7.356 7.951 -0.595 17707
3089 1 8 . 1 1 73 73 ARG N N 39 115.783 115.783 119.053 -3.270 17707
3090 1 8 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.599 -0.231 17707
3091 1 8 . 1 1 73 73 ARG CA C 39 54.703 54.703 54.980 -0.277 17707
3092 1 8 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.906 -5.053 17707
3093 1 8 . 1 1 73 73 ARG H H 39 7.990 7.990 8.129 -0.139 17707
3094 1 8 . 1 1 74 74 VAL N N 40 130.246 130.246 118.905 11.341 17707
3095 1 8 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.760 -0.061 17707
3096 1 8 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.902 -1.419 17707
3097 1 8 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.645 -4.346 17707
3098 1 8 . 1 1 74 74 VAL H H 40 8.846 8.846 8.383 0.463 17707
3099 1 8 . 1 1 75 75 GLY N N 41 114.952 114.952 114.148 0.804 17707
3100 1 8 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.156 -2.251 17707
3101 1 8 . 1 1 75 75 GLY H H 41 8.943 8.943 8.524 0.419 17707
3102 1 8 . 1 1 76 76 ASP N N 42 115.344 115.344 118.305 -2.961 17707
3103 1 8 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.805 -0.093 17707
3104 1 8 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.987 -1.473 17707
3105 1 8 . 1 1 76 76 ASP H H 42 7.224 7.224 7.579 -0.355 17707
3106 1 8 . 1 1 77 77 VAL N N 43 122.703 122.703 121.388 1.315 17707
3107 1 8 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.250 0.473 17707
3108 1 8 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.415 -2.068 17707
3109 1 8 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.847 -1.265 17707
3110 1 8 . 1 1 77 77 VAL H H 43 7.551 7.551 8.251 -0.700 17707
3111 1 8 . 1 1 78 78 TYR N N 44 125.956 125.956 128.172 -2.216 17707
3112 1 8 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.621 0.350 17707
3113 1 8 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.096 -3.791 17707
3114 1 8 . 1 1 78 78 TYR H H 44 9.023 9.023 8.493 0.530 17707
3115 1 8 . 1 1 79 79 ILE N N 45 129.856 129.856 122.558 7.298 17707
3116 1 8 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.359 -0.103 17707
3117 1 8 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.351 -1.953 17707
3118 1 8 . 1 1 79 79 ILE CB C 45 36.314 36.314 38.073 -1.759 17707
3119 1 8 . 1 1 79 79 ILE H H 45 8.231 8.231 8.264 -0.033 17707
3120 1 8 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.001 -0.097 17707
3121 1 8 . 1 1 80 80 PRO CA C 46 59.641 59.641 61.978 -2.337 17707
3122 1 8 . 1 1 81 81 ARG H H 47 8.593 8.593 7.222 1.371 17707
3123 1 8 . 1 1 82 82 ASP N N 48 125.712 125.712 121.069 4.643 17707
3124 1 8 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.233 0.149 17707
3125 1 8 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.176 -2.717 17707
3126 1 8 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.944 0.364 17707
3127 1 8 . 1 1 82 82 ASP H H 48 8.948 8.948 7.987 0.961 17707
3128 1 8 . 1 1 83 83 ARG N N 49 125.207 125.207 123.228 1.979 17707
3129 1 8 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.995 -0.299 17707
3130 1 8 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.836 -2.222 17707
3131 1 8 . 1 1 83 83 ARG H H 49 8.688 8.688 8.368 0.320 17707
3132 1 8 . 1 1 84 84 TYR N N 50 117.911 117.911 111.584 6.327 17707
3133 1 8 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.842 -0.248 17707
3134 1 8 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.966 -0.200 17707
3135 1 8 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.552 -2.365 17707
3136 1 8 . 1 1 84 84 TYR H H 50 8.449 8.449 6.752 1.697 17707
3137 1 8 . 1 1 85 85 THR N N 51 110.450 110.450 109.664 0.786 17707
3138 1 8 . 1 1 85 85 THR HA H 51 4.230 4.230 4.488 -0.258 17707
3139 1 8 . 1 1 85 85 THR CA C 51 59.620 59.620 61.443 -1.823 17707
3140 1 8 . 1 1 85 85 THR CB C 51 67.745 67.745 71.147 -3.402 17707
3141 1 8 . 1 1 85 85 THR H H 51 9.141 9.141 7.088 2.053 17707
3142 1 8 . 1 1 86 86 LYS N N 52 113.570 113.570 118.109 -4.539 17707
3143 1 8 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.766 0.189 17707
3144 1 8 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.756 -3.328 17707
3145 1 8 . 1 1 86 86 LYS H H 52 7.821 7.821 8.147 -0.326 17707
3146 1 8 . 1 1 87 87 GLU N N 53 118.364 118.364 121.400 -3.036 17707
3147 1 8 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.129 0.251 17707
3148 1 8 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.492 -3.851 17707
3149 1 8 . 1 1 87 87 GLU CB C 53 28.841 28.841 28.873 -0.032 17707
3150 1 8 . 1 1 87 87 GLU H H 53 7.714 7.714 7.559 0.155 17707
3151 1 8 . 1 1 88 88 SER N N 54 115.692 115.692 119.919 -4.227 17707
3152 1 8 . 1 1 88 88 SER CB C 54 61.369 61.369 63.487 -2.118 17707
3153 1 8 . 1 1 88 88 SER H H 54 8.705 8.705 8.351 0.354 17707
3154 1 8 . 1 1 89 89 ARG N N 55 122.170 122.170 121.736 0.434 17707
3155 1 8 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.446 -0.129 17707
3156 1 8 . 1 1 89 89 ARG CA C 55 53.794 53.794 54.974 -1.180 17707
3157 1 8 . 1 1 89 89 ARG H H 55 7.934 7.934 8.541 -0.607 17707
3158 1 8 . 1 1 90 90 GLY N N 56 106.948 106.948 108.836 -1.888 17707
3159 1 8 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.848 -2.573 17707
3160 1 8 . 1 1 90 90 GLY H H 56 8.557 8.557 7.966 0.591 17707
3161 1 8 . 1 1 91 91 PHE N N 57 113.487 113.487 112.462 1.025 17707
3162 1 8 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.999 0.593 17707
3163 1 8 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.962 -3.051 17707
3164 1 8 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.996 -1.218 17707
3165 1 8 . 1 1 91 91 PHE H H 57 6.936 6.936 6.867 0.069 17707
3166 1 8 . 1 1 92 92 ALA N N 58 117.841 117.841 122.247 -4.406 17707
3167 1 8 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.736 0.012 17707
3168 1 8 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.110 -4.575 17707
3169 1 8 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.645 2.953 17707
3170 1 8 . 1 1 92 92 ALA H H 58 8.848 8.848 8.453 0.395 17707
3171 1 8 . 1 1 93 93 PHE N N 59 115.981 115.981 126.843 -10.862 17707
3172 1 8 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.720 0.953 17707
3173 1 8 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.260 -4.398 17707
3174 1 8 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.855 -1.957 17707
3175 1 8 . 1 1 93 93 PHE H H 59 8.824 8.824 8.236 0.588 17707
3176 1 8 . 1 1 94 94 VAL N N 60 123.120 123.120 123.813 -0.693 17707
3177 1 8 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.484 -0.180 17707
3178 1 8 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.371 -0.440 17707
3179 1 8 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.212 -3.784 17707
3180 1 8 . 1 1 94 94 VAL H H 60 8.581 8.581 7.637 0.944 17707
3181 1 8 . 1 1 95 95 ARG N N 61 123.954 123.954 118.115 5.839 17707
3182 1 8 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.254 0.298 17707
3183 1 8 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.370 -3.855 17707
3184 1 8 . 1 1 95 95 ARG H H 61 8.727 8.727 8.608 0.119 17707
3185 1 8 . 1 1 96 96 PHE N N 62 121.921 121.921 120.816 1.105 17707
3186 1 8 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.777 0.126 17707
3187 1 8 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.422 -1.856 17707
3188 1 8 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.471 -3.585 17707
3189 1 8 . 1 1 96 96 PHE H H 62 9.127 9.127 8.547 0.580 17707
3190 1 8 . 1 1 97 97 HIS N N 63 120.064 120.064 118.733 1.331 17707
3191 1 8 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.674 -0.336 17707
3192 1 8 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.731 0.530 17707
3193 1 8 . 1 1 97 97 HIS CB C 63 27.288 27.288 30.947 -3.659 17707
3194 1 8 . 1 1 97 97 HIS H H 63 7.982 7.982 8.539 -0.557 17707
3195 1 8 . 1 1 98 98 ASP N N 64 119.665 119.665 121.401 -1.736 17707
3196 1 8 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.847 0.212 17707
3197 1 8 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.886 -4.691 17707
3198 1 8 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.022 -0.924 17707
3199 1 8 . 1 1 98 98 ASP H H 64 9.096 9.096 8.462 0.634 17707
3200 1 8 . 1 1 99 99 LYS N N 65 127.804 127.804 127.132 0.672 17707
3201 1 8 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.950 -0.105 17707
3202 1 8 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.377 -1.980 17707
3203 1 8 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.461 -2.215 17707
3204 1 8 . 1 1 99 99 LYS H H 65 8.784 8.784 8.889 -0.105 17707
3205 1 8 . 1 1 100 100 ARG N N 66 118.451 118.451 117.812 0.639 17707
3206 1 8 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.121 -0.051 17707
3207 1 8 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.091 -2.952 17707
3208 1 8 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.658 -1.892 17707
3209 1 8 . 1 1 100 100 ARG H H 66 8.600 8.600 8.724 -0.124 17707
3210 1 8 . 1 1 101 101 ASP N N 67 119.627 119.627 118.571 1.056 17707
3211 1 8 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.701 -0.507 17707
3212 1 8 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.730 -2.497 17707
3213 1 8 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.398 -2.402 17707
3214 1 8 . 1 1 101 101 ASP H H 67 7.089 7.089 8.676 -1.587 17707
3215 1 8 . 1 1 102 102 ALA N N 68 119.421 119.421 123.544 -4.123 17707
3216 1 8 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.621 -0.657 17707
3217 1 8 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.929 -3.226 17707
3218 1 8 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.797 -3.129 17707
3219 1 8 . 1 1 102 102 ALA H H 68 6.832 6.832 7.348 -0.516 17707
3220 1 8 . 1 1 103 103 GLU N N 69 117.506 117.506 116.453 1.053 17707
3221 1 8 . 1 1 103 103 GLU HA H 69 3.658 3.658 4.002 -0.344 17707
3222 1 8 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.365 -1.204 17707
3223 1 8 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.335 -2.910 17707
3224 1 8 . 1 1 103 103 GLU H H 69 8.011 8.011 8.490 -0.479 17707
3225 1 8 . 1 1 104 104 ASP N N 70 120.487 120.487 120.736 -0.249 17707
3226 1 8 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.464 -0.198 17707
3227 1 8 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.632 -2.144 17707
3228 1 8 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.121 -3.659 17707
3229 1 8 . 1 1 104 104 ASP H H 70 8.020 8.020 7.629 0.391 17707
3230 1 8 . 1 1 105 105 ALA N N 71 122.179 122.179 120.724 1.455 17707
3231 1 8 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.256 -0.481 17707
3232 1 8 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.531 -2.786 17707
3233 1 8 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.479 -1.271 17707
3234 1 8 . 1 1 105 105 ALA H H 71 8.118 8.118 7.310 0.808 17707
3235 1 8 . 1 1 106 106 MET N N 72 118.380 118.380 114.835 3.545 17707
3236 1 8 . 1 1 106 106 MET HA H 72 3.655 3.655 4.146 -0.491 17707
3237 1 8 . 1 1 106 106 MET CA C 72 57.188 57.188 58.654 -1.466 17707
3238 1 8 . 1 1 106 106 MET CB C 72 30.409 30.409 32.525 -2.116 17707
3239 1 8 . 1 1 106 106 MET H H 72 8.279 8.279 7.427 0.852 17707
3240 1 8 . 1 1 107 107 ASP N N 73 117.030 117.030 119.998 -2.968 17707
3241 1 8 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.510 -0.183 17707
3242 1 8 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.615 -1.556 17707
3243 1 8 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.817 -2.724 17707
3244 1 8 . 1 1 107 107 ASP H H 73 7.749 7.749 7.865 -0.116 17707
3245 1 8 . 1 1 108 108 ALA N N 74 117.995 117.995 119.256 -1.261 17707
3246 1 8 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.545 -0.421 17707
3247 1 8 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.812 -1.478 17707
3248 1 8 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.824 -3.165 17707
3249 1 8 . 1 1 108 108 ALA H H 74 7.347 7.347 7.130 0.217 17707
3250 1 8 . 1 1 109 109 MET N N 75 112.202 112.202 115.865 -3.663 17707
3251 1 8 . 1 1 109 109 MET HA H 75 4.742 4.742 4.610 0.132 17707
3252 1 8 . 1 1 109 109 MET CA C 75 50.546 50.546 55.426 -4.880 17707
3253 1 8 . 1 1 109 109 MET H H 75 8.057 8.057 7.651 0.406 17707
3254 1 8 . 1 1 110 110 ASP N N 76 120.043 120.043 120.373 -0.330 17707
3255 1 8 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.412 -0.026 17707
3256 1 8 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.319 -1.374 17707
3257 1 8 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.051 -2.447 17707
3258 1 8 . 1 1 110 110 ASP H H 76 7.825 7.825 7.600 0.225 17707
3259 1 8 . 1 1 111 111 GLY N N 77 117.743 117.743 111.995 5.748 17707
3260 1 8 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.911 -2.895 17707
3261 1 8 . 1 1 111 111 GLY H H 77 8.636 8.636 8.053 0.583 17707
3262 1 8 . 1 1 112 112 ALA N N 78 123.755 123.755 122.728 1.027 17707
3263 1 8 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.377 -0.058 17707
3264 1 8 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.565 -2.529 17707
3265 1 8 . 1 1 112 112 ALA CB C 78 17.448 17.448 17.910 -0.462 17707
3266 1 8 . 1 1 112 112 ALA H H 78 7.909 7.909 7.639 0.270 17707
3267 1 8 . 1 1 113 113 VAL N N 79 118.703 118.703 116.966 1.737 17707
3268 1 8 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.158 0.455 17707
3269 1 8 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.775 -3.203 17707
3270 1 8 . 1 1 113 113 VAL H H 79 8.083 8.083 7.442 0.641 17707
3271 1 8 . 1 1 114 114 LEU N N 80 129.473 129.473 117.544 11.929 17707
3272 1 8 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.835 -0.292 17707
3273 1 8 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.322 -3.380 17707
3274 1 8 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.299 -0.714 17707
3275 1 8 . 1 1 114 114 LEU H H 80 8.895 8.895 8.667 0.228 17707
3276 1 8 . 1 1 115 115 ASP N N 81 129.660 129.660 120.121 9.539 17707
3277 1 8 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.893 -0.664 17707
3278 1 8 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.125 -1.873 17707
3279 1 8 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.201 -4.929 17707
3280 1 8 . 1 1 115 115 ASP H H 81 9.428 9.428 8.276 1.152 17707
3281 1 8 . 1 1 116 116 GLY N N 82 100.557 100.557 108.498 -7.941 17707
3282 1 8 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.123 -2.242 17707
3283 1 8 . 1 1 116 116 GLY H H 82 7.978 7.978 7.994 -0.016 17707
3284 1 8 . 1 1 117 117 ARG N N 83 120.104 120.104 119.437 0.667 17707
3285 1 8 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.640 -0.090 17707
3286 1 8 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.513 -4.407 17707
3287 1 8 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.214 -1.569 17707
3288 1 8 . 1 1 117 117 ARG H H 83 7.493 7.493 7.654 -0.161 17707
3289 1 8 . 1 1 118 118 GLU N N 84 121.206 121.206 116.937 4.269 17707
3290 1 8 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.457 -0.154 17707
3291 1 8 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.527 -3.098 17707
3292 1 8 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.673 -5.547 17707
3293 1 8 . 1 1 118 118 GLU H H 84 8.352 8.352 8.567 -0.215 17707
3294 1 8 . 1 1 119 119 LEU N N 85 127.970 127.970 118.321 9.649 17707
3295 1 8 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.878 -0.316 17707
3296 1 8 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.573 -1.050 17707
3297 1 8 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.466 -4.655 17707
3298 1 8 . 1 1 119 119 LEU H H 85 9.349 9.349 7.814 1.535 17707
3299 1 8 . 1 1 120 120 ARG N N 86 121.001 121.001 121.696 -0.695 17707
3300 1 8 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.050 0.124 17707
3301 1 8 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.883 -3.288 17707
3302 1 8 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.755 -3.063 17707
3303 1 8 . 1 1 120 120 ARG H H 86 7.512 7.512 8.440 -0.928 17707
3304 1 8 . 1 1 121 121 VAL N N 87 125.999 125.999 124.602 1.397 17707
3305 1 8 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.852 0.086 17707
3306 1 8 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.043 -1.277 17707
3307 1 8 . 1 1 121 121 VAL H H 87 9.437 9.437 8.174 1.263 17707
3308 1 8 . 1 1 122 122 GLN N N 88 121.684 121.684 124.310 -2.626 17707
3309 1 8 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.574 0.395 17707
3310 1 8 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.715 -2.816 17707
3311 1 8 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.231 -2.075 17707
3312 1 8 . 1 1 122 122 GLN H H 88 8.301 8.301 7.817 0.484 17707
3313 1 8 . 1 1 123 123 MET N N 89 121.937 121.937 120.668 1.269 17707
3314 1 8 . 1 1 123 123 MET HA H 89 4.529 4.529 4.286 0.243 17707
3315 1 8 . 1 1 123 123 MET CA C 89 53.328 53.328 55.592 -2.264 17707
3316 1 8 . 1 1 123 123 MET CB C 89 28.750 28.750 31.938 -3.188 17707
3317 1 8 . 1 1 123 123 MET H H 89 8.714 8.714 8.738 -0.024 17707
3318 1 8 . 1 1 124 124 ALA N N 90 126.984 126.984 129.215 -2.231 17707
3319 1 8 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.238 0.179 17707
3320 1 8 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.527 -2.724 17707
3321 1 8 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.786 -4.534 17707
3322 1 8 . 1 1 124 124 ALA H H 90 8.437 8.437 8.177 0.260 17707
3323 1 8 . 1 1 125 125 ARG H H 91 9.886 9.886 8.645 1.241 17707
3324 1 8 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.110 -2.374 17707
3325 1 8 . 1 1 128 128 ARG N N 94 120.921 120.921 120.981 -0.060 17707
3326 1 8 . 1 1 128 128 ARG H H 94 8.245 8.245 8.384 -0.139 17707
3327 1 8 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.843 -0.250 17707
3328 1 8 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.761 -2.772 17707
3329 1 8 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.450 -0.133 17707
3330 1 8 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.219 -3.824 17707
3331 1 8 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.195 -2.934 17707
3332 1 8 . 1 1 131 131 ASP N N 97 119.855 119.855 115.918 3.937 17707
3333 1 8 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.655 -0.163 17707
3334 1 8 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.188 -2.773 17707
3335 1 8 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.166 -3.613 17707
3336 1 8 . 1 1 131 131 ASP H H 97 8.196 8.196 7.810 0.386 17707
3337 1 8 . 1 1 132 132 SER N N 98 116.150 116.150 117.036 -0.886 17707
3338 1 8 . 1 1 132 132 SER HA H 98 4.286 4.286 4.586 -0.300 17707
3339 1 8 . 1 1 132 132 SER CA C 98 55.729 55.729 58.515 -2.786 17707
3340 1 8 . 1 1 132 132 SER CB C 98 61.088 61.088 63.685 -2.597 17707
3341 1 8 . 1 1 132 132 SER H H 98 8.070 8.070 8.459 -0.389 17707
3342 1 8 . 1 1 133 133 HIS N N 99 119.771 119.771 118.540 1.231 17707
3343 1 8 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.812 -3.745 17707
3344 1 8 . 1 1 133 133 HIS H H 99 8.322 8.322 7.569 0.753 17707
3345 1 9 . 1 1 36 36 SER N N 2 116.365 116.365 115.238 1.127 17707
3346 1 9 . 1 1 36 36 SER HA H 2 4.398 4.398 4.596 -0.198 17707
3347 1 9 . 1 1 36 36 SER CA C 2 55.706 55.706 57.477 -1.771 17707
3348 1 9 . 1 1 36 36 SER CB C 2 61.260 61.260 64.911 -3.651 17707
3349 1 9 . 1 1 36 36 SER H H 2 8.112 8.112 8.194 -0.082 17707
3350 1 9 . 1 1 37 37 TYR N N 3 121.885 121.885 121.430 0.455 17707
3351 1 9 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.367 0.267 17707
3352 1 9 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.327 -2.144 17707
3353 1 9 . 1 1 37 37 TYR H H 3 8.155 8.155 8.543 -0.388 17707
3354 1 9 . 1 1 38 38 GLY N N 4 109.771 109.771 108.597 1.174 17707
3355 1 9 . 1 1 38 38 GLY H H 4 8.332 8.332 8.122 0.210 17707
3356 1 9 . 1 1 39 39 ARG N N 5 121.087 121.087 116.209 4.878 17707
3357 1 9 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.073 0.468 17707
3358 1 9 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.104 -4.909 17707
3359 1 9 . 1 1 39 39 ARG H H 5 8.224 8.224 8.303 -0.079 17707
3360 1 9 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.714 -0.475 17707
3361 1 9 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.137 -2.743 17707
3362 1 9 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.686 -0.302 17707
3363 1 9 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.998 -3.426 17707
3364 1 9 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.753 -0.480 17707
3365 1 9 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.279 -2.148 17707
3366 1 9 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.670 -4.573 17707
3367 1 9 . 1 1 43 43 ASP N N 9 119.118 119.118 117.513 1.605 17707
3368 1 9 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.828 -0.316 17707
3369 1 9 . 1 1 43 43 ASP CA C 9 51.541 51.541 54.068 -2.527 17707
3370 1 9 . 1 1 43 43 ASP CB C 9 37.499 37.499 42.029 -4.530 17707
3371 1 9 . 1 1 43 43 ASP H H 9 8.425 8.425 8.530 -0.104 17707
3372 1 9 . 1 1 44 44 VAL N N 10 118.278 118.278 118.506 -0.228 17707
3373 1 9 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.899 0.307 17707
3374 1 9 . 1 1 44 44 VAL CA C 10 59.163 59.163 63.981 -4.818 17707
3375 1 9 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.527 -2.529 17707
3376 1 9 . 1 1 44 44 VAL H H 10 7.882 7.882 7.832 0.050 17707
3377 1 9 . 1 1 45 45 GLU N N 11 123.222 123.222 118.959 4.263 17707
3378 1 9 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.229 -0.181 17707
3379 1 9 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.066 -1.219 17707
3380 1 9 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.036 -2.589 17707
3381 1 9 . 1 1 45 45 GLU H H 11 8.328 8.328 8.535 -0.207 17707
3382 1 9 . 1 1 46 46 GLY N N 12 108.993 108.993 108.945 0.048 17707
3383 1 9 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.273 -2.574 17707
3384 1 9 . 1 1 46 46 GLY H H 12 8.361 8.361 8.026 0.335 17707
3385 1 9 . 1 1 47 47 MET N N 13 118.074 118.074 117.349 0.725 17707
3386 1 9 . 1 1 47 47 MET HA H 13 4.584 4.584 5.015 -0.431 17707
3387 1 9 . 1 1 47 47 MET CB C 13 31.447 31.447 34.936 -3.489 17707
3388 1 9 . 1 1 47 47 MET H H 13 7.493 7.493 7.447 0.046 17707
3389 1 9 . 1 1 48 48 THR N N 14 118.968 118.968 114.344 4.624 17707
3390 1 9 . 1 1 48 48 THR HA H 14 4.534 4.534 4.217 0.317 17707
3391 1 9 . 1 1 48 48 THR CA C 14 60.656 60.656 64.209 -3.553 17707
3392 1 9 . 1 1 48 48 THR CB C 14 67.544 67.544 69.194 -1.650 17707
3393 1 9 . 1 1 48 48 THR H H 14 8.993 8.993 8.514 0.479 17707
3394 1 9 . 1 1 49 49 SER N N 15 123.365 123.365 115.195 8.170 17707
3395 1 9 . 1 1 49 49 SER HA H 15 5.017 5.017 4.060 0.957 17707
3396 1 9 . 1 1 49 49 SER CB C 15 61.787 61.787 61.765 0.022 17707
3397 1 9 . 1 1 49 49 SER H H 15 9.097 9.097 7.885 1.212 17707
3398 1 9 . 1 1 50 50 LEU N N 16 124.488 124.488 121.556 2.932 17707
3399 1 9 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.080 0.928 17707
3400 1 9 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.168 -5.809 17707
3401 1 9 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.265 -2.163 17707
3402 1 9 . 1 1 50 50 LEU H H 16 9.495 9.495 7.471 2.024 17707
3403 1 9 . 1 1 51 51 LYS N N 17 123.276 123.276 117.801 5.475 17707
3404 1 9 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.280 -0.399 17707
3405 1 9 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.173 -1.748 17707
3406 1 9 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.525 -4.194 17707
3407 1 9 . 1 1 51 51 LYS H H 17 9.239 9.239 8.926 0.313 17707
3408 1 9 . 1 1 52 52 VAL N N 18 130.086 130.086 120.468 9.618 17707
3409 1 9 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.704 0.070 17707
3410 1 9 . 1 1 52 52 VAL CA C 18 58.226 58.226 61.035 -2.809 17707
3411 1 9 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.270 -4.348 17707
3412 1 9 . 1 1 52 52 VAL H H 18 9.136 9.136 7.653 1.483 17707
3413 1 9 . 1 1 53 53 ASP N N 19 125.621 125.621 123.713 1.908 17707
3414 1 9 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.075 0.103 17707
3415 1 9 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.877 -2.264 17707
3416 1 9 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.398 -2.851 17707
3417 1 9 . 1 1 53 53 ASP H H 19 9.312 9.312 8.858 0.454 17707
3418 1 9 . 1 1 54 54 ASN N N 20 112.496 112.496 115.677 -3.181 17707
3419 1 9 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.417 0.060 17707
3420 1 9 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.749 -2.733 17707
3421 1 9 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.448 -2.829 17707
3422 1 9 . 1 1 54 54 ASN H H 20 8.438 8.438 8.633 -0.195 17707
3423 1 9 . 1 1 55 55 LEU N N 21 114.844 114.844 116.718 -1.874 17707
3424 1 9 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.176 0.187 17707
3425 1 9 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.349 -5.342 17707
3426 1 9 . 1 1 55 55 LEU CB C 21 41.016 41.016 42.384 -1.368 17707
3427 1 9 . 1 1 55 55 LEU H H 21 7.477 7.477 7.717 -0.240 17707
3428 1 9 . 1 1 56 56 THR N N 22 111.571 111.571 114.356 -2.785 17707
3429 1 9 . 1 1 56 56 THR HA H 22 4.361 4.361 4.697 -0.336 17707
3430 1 9 . 1 1 56 56 THR CA C 22 58.212 58.212 60.690 -2.478 17707
3431 1 9 . 1 1 56 56 THR CB C 22 68.233 68.233 71.522 -3.289 17707
3432 1 9 . 1 1 56 56 THR H H 22 8.341 8.341 8.033 0.308 17707
3433 1 9 . 1 1 57 57 TYR N N 23 122.008 122.008 119.953 2.055 17707
3434 1 9 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.374 -0.064 17707
3435 1 9 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.744 -3.168 17707
3436 1 9 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.464 -3.279 17707
3437 1 9 . 1 1 57 57 TYR H H 23 8.587 8.587 8.928 -0.342 17707
3438 1 9 . 1 1 58 58 ARG N N 24 114.767 114.767 115.191 -0.424 17707
3439 1 9 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.620 -0.357 17707
3440 1 9 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.545 -2.449 17707
3441 1 9 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.039 -2.635 17707
3442 1 9 . 1 1 58 58 ARG H H 24 7.262 7.262 7.769 -0.507 17707
3443 1 9 . 1 1 59 59 THR N N 25 119.267 119.267 117.524 1.743 17707
3444 1 9 . 1 1 59 59 THR HA H 25 4.015 4.015 4.737 -0.722 17707
3445 1 9 . 1 1 59 59 THR CA C 25 62.247 62.247 60.764 1.483 17707
3446 1 9 . 1 1 59 59 THR CB C 25 65.785 65.785 70.801 -5.016 17707
3447 1 9 . 1 1 59 59 THR H H 25 7.348 7.348 7.827 -0.479 17707
3448 1 9 . 1 1 60 60 SER N N 26 124.341 124.341 114.099 10.242 17707
3449 1 9 . 1 1 60 60 SER HA H 26 4.861 4.861 4.980 -0.119 17707
3450 1 9 . 1 1 60 60 SER CA C 26 52.864 52.864 54.937 -2.073 17707
3451 1 9 . 1 1 60 60 SER CB C 26 61.783 61.783 65.201 -3.418 17707
3452 1 9 . 1 1 60 60 SER H H 26 8.319 8.319 8.201 0.118 17707
3453 1 9 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.368 -0.358 17707
3454 1 9 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.326 -2.243 17707
3455 1 9 . 1 1 62 62 ASP N N 28 115.615 115.615 117.176 -1.561 17707
3456 1 9 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.446 -0.070 17707
3457 1 9 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.392 -2.711 17707
3458 1 9 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.715 -2.463 17707
3459 1 9 . 1 1 62 62 ASP H H 28 8.020 8.020 8.496 -0.476 17707
3460 1 9 . 1 1 63 63 THR N N 29 118.079 118.079 117.258 0.821 17707
3461 1 9 . 1 1 63 63 THR HA H 29 3.902 3.902 4.181 -0.279 17707
3462 1 9 . 1 1 63 63 THR CA C 29 63.729 63.729 66.704 -2.975 17707
3463 1 9 . 1 1 63 63 THR CB C 29 65.634 65.634 68.887 -3.253 17707
3464 1 9 . 1 1 63 63 THR H H 29 7.766 7.766 7.492 0.274 17707
3465 1 9 . 1 1 64 64 LEU N N 30 118.985 118.985 120.253 -1.268 17707
3466 1 9 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.250 -0.197 17707
3467 1 9 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.628 -2.650 17707
3468 1 9 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.939 -1.108 17707
3469 1 9 . 1 1 64 64 LEU H H 30 7.495 7.495 8.296 -0.801 17707
3470 1 9 . 1 1 65 65 ARG N N 31 119.245 119.245 120.722 -1.477 17707
3471 1 9 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.223 -0.579 17707
3472 1 9 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.605 -0.249 17707
3473 1 9 . 1 1 65 65 ARG H H 31 8.583 8.583 7.738 0.845 17707
3474 1 9 . 1 1 66 66 ARG N N 32 115.695 115.695 118.358 -2.663 17707
3475 1 9 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.268 -0.196 17707
3476 1 9 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.304 -1.630 17707
3477 1 9 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.290 -1.732 17707
3478 1 9 . 1 1 66 66 ARG H H 32 7.707 7.707 7.821 -0.114 17707
3479 1 9 . 1 1 67 67 VAL N N 33 115.500 115.500 117.220 -1.720 17707
3480 1 9 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.083 -0.191 17707
3481 1 9 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.480 -1.824 17707
3482 1 9 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.493 -2.937 17707
3483 1 9 . 1 1 67 67 VAL H H 33 7.739 7.739 7.910 -0.171 17707
3484 1 9 . 1 1 68 68 PHE N N 34 116.290 116.290 117.111 -0.821 17707
3485 1 9 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.826 -0.328 17707
3486 1 9 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.515 0.513 17707
3487 1 9 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.794 -4.603 17707
3488 1 9 . 1 1 68 68 PHE H H 34 8.253 8.253 7.695 0.558 17707
3489 1 9 . 1 1 69 69 GLU N N 35 119.333 119.333 120.783 -1.450 17707
3490 1 9 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.118 0.917 17707
3491 1 9 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.113 -4.131 17707
3492 1 9 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.719 -3.545 17707
3493 1 9 . 1 1 69 69 GLU H H 35 8.583 8.583 8.420 0.163 17707
3494 1 9 . 1 1 70 70 LYS N N 36 118.341 118.341 117.360 0.981 17707
3495 1 9 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.138 -0.246 17707
3496 1 9 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.186 -2.727 17707
3497 1 9 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.524 -2.300 17707
3498 1 9 . 1 1 70 70 LYS H H 36 6.871 6.871 8.348 -1.477 17707
3499 1 9 . 1 1 71 71 TYR N N 37 115.014 115.014 118.331 -3.317 17707
3500 1 9 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.347 -0.040 17707
3501 1 9 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.117 -3.882 17707
3502 1 9 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.004 -2.369 17707
3503 1 9 . 1 1 71 71 TYR H H 37 7.611 7.611 7.765 -0.154 17707
3504 1 9 . 1 1 72 72 GLY N N 38 104.741 104.741 105.066 -0.325 17707
3505 1 9 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.105 -3.476 17707
3506 1 9 . 1 1 72 72 GLY H H 38 7.356 7.356 7.691 -0.335 17707
3507 1 9 . 1 1 73 73 ARG N N 39 115.783 115.783 119.559 -3.776 17707
3508 1 9 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.664 -0.296 17707
3509 1 9 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.514 -0.811 17707
3510 1 9 . 1 1 73 73 ARG CB C 39 27.852 27.852 33.067 -5.215 17707
3511 1 9 . 1 1 73 73 ARG H H 39 7.990 7.990 9.100 -1.110 17707
3512 1 9 . 1 1 74 74 VAL N N 40 130.246 130.246 118.045 12.201 17707
3513 1 9 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.625 0.074 17707
3514 1 9 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.205 -1.722 17707
3515 1 9 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.545 -4.246 17707
3516 1 9 . 1 1 74 74 VAL H H 40 8.846 8.846 8.393 0.453 17707
3517 1 9 . 1 1 75 75 GLY N N 41 114.952 114.952 114.135 0.817 17707
3518 1 9 . 1 1 75 75 GLY CA C 41 42.905 42.905 46.072 -3.167 17707
3519 1 9 . 1 1 75 75 GLY H H 41 8.943 8.943 8.620 0.323 17707
3520 1 9 . 1 1 76 76 ASP N N 42 115.344 115.344 114.963 0.381 17707
3521 1 9 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.712 -0.000 17707
3522 1 9 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.456 -0.942 17707
3523 1 9 . 1 1 76 76 ASP H H 42 7.224 7.224 7.429 -0.205 17707
3524 1 9 . 1 1 77 77 VAL N N 43 122.703 122.703 117.909 4.794 17707
3525 1 9 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.782 -0.059 17707
3526 1 9 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.361 -2.014 17707
3527 1 9 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.015 -1.433 17707
3528 1 9 . 1 1 77 77 VAL H H 43 7.551 7.551 7.983 -0.432 17707
3529 1 9 . 1 1 78 78 TYR N N 44 125.956 125.956 126.914 -0.958 17707
3530 1 9 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.812 0.159 17707
3531 1 9 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.297 -3.991 17707
3532 1 9 . 1 1 78 78 TYR H H 44 9.023 9.023 8.265 0.758 17707
3533 1 9 . 1 1 79 79 ILE N N 45 129.856 129.856 121.956 7.900 17707
3534 1 9 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.009 0.247 17707
3535 1 9 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.593 -2.195 17707
3536 1 9 . 1 1 79 79 ILE CB C 45 36.314 36.314 38.161 -1.847 17707
3537 1 9 . 1 1 79 79 ILE H H 45 8.231 8.231 8.112 0.119 17707
3538 1 9 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.127 -0.223 17707
3539 1 9 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.350 -2.709 17707
3540 1 9 . 1 1 81 81 ARG H H 47 8.593 8.593 8.315 0.278 17707
3541 1 9 . 1 1 82 82 ASP N N 48 125.712 125.712 122.099 3.613 17707
3542 1 9 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.452 -0.070 17707
3543 1 9 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.868 -2.409 17707
3544 1 9 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.781 0.527 17707
3545 1 9 . 1 1 82 82 ASP H H 48 8.948 8.948 8.464 0.484 17707
3546 1 9 . 1 1 83 83 ARG N N 49 125.207 125.207 123.402 1.805 17707
3547 1 9 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.055 -0.359 17707
3548 1 9 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.387 -1.773 17707
3549 1 9 . 1 1 83 83 ARG H H 49 8.688 8.688 8.750 -0.062 17707
3550 1 9 . 1 1 84 84 TYR N N 50 117.911 117.911 112.436 5.475 17707
3551 1 9 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.847 -0.253 17707
3552 1 9 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.590 -0.825 17707
3553 1 9 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.822 -2.635 17707
3554 1 9 . 1 1 84 84 TYR H H 50 8.449 8.449 7.292 1.157 17707
3555 1 9 . 1 1 85 85 THR N N 51 110.450 110.450 113.808 -3.358 17707
3556 1 9 . 1 1 85 85 THR HA H 51 4.230 4.230 4.325 -0.095 17707
3557 1 9 . 1 1 85 85 THR CA C 51 59.620 59.620 62.502 -2.882 17707
3558 1 9 . 1 1 85 85 THR CB C 51 67.745 67.745 70.438 -2.692 17707
3559 1 9 . 1 1 85 85 THR H H 51 9.141 9.141 7.153 1.988 17707
3560 1 9 . 1 1 86 86 LYS N N 52 113.570 113.570 119.140 -5.570 17707
3561 1 9 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.861 0.094 17707
3562 1 9 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.651 -3.223 17707
3563 1 9 . 1 1 86 86 LYS H H 52 7.821 7.821 8.236 -0.415 17707
3564 1 9 . 1 1 87 87 GLU N N 53 118.364 118.364 116.645 1.719 17707
3565 1 9 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.134 0.246 17707
3566 1 9 . 1 1 87 87 GLU CA C 53 52.641 52.641 57.758 -5.117 17707
3567 1 9 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.791 -0.950 17707
3568 1 9 . 1 1 87 87 GLU H H 53 7.714 7.714 7.836 -0.122 17707
3569 1 9 . 1 1 88 88 SER N N 54 115.692 115.692 113.972 1.720 17707
3570 1 9 . 1 1 88 88 SER CB C 54 61.369 61.369 64.159 -2.790 17707
3571 1 9 . 1 1 88 88 SER H H 54 8.705 8.705 7.884 0.821 17707
3572 1 9 . 1 1 89 89 ARG N N 55 122.170 122.170 125.347 -3.177 17707
3573 1 9 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.373 -0.056 17707
3574 1 9 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.167 -2.373 17707
3575 1 9 . 1 1 89 89 ARG H H 55 7.934 7.934 8.789 -0.855 17707
3576 1 9 . 1 1 90 90 GLY N N 56 106.948 106.948 108.899 -1.951 17707
3577 1 9 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.877 -2.602 17707
3578 1 9 . 1 1 90 90 GLY H H 56 8.557 8.557 8.074 0.483 17707
3579 1 9 . 1 1 91 91 PHE N N 57 113.487 113.487 113.120 0.367 17707
3580 1 9 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.810 0.782 17707
3581 1 9 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.563 -2.652 17707
3582 1 9 . 1 1 91 91 PHE CB C 57 39.778 39.778 41.229 -1.451 17707
3583 1 9 . 1 1 91 91 PHE H H 57 6.936 6.936 7.130 -0.194 17707
3584 1 9 . 1 1 92 92 ALA N N 58 117.841 117.841 121.818 -3.977 17707
3585 1 9 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.414 0.334 17707
3586 1 9 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.168 -4.633 17707
3587 1 9 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.469 3.129 17707
3588 1 9 . 1 1 92 92 ALA H H 58 8.848 8.848 8.208 0.640 17707
3589 1 9 . 1 1 93 93 PHE N N 59 115.981 115.981 126.778 -10.797 17707
3590 1 9 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.716 0.957 17707
3591 1 9 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.220 -4.358 17707
3592 1 9 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.887 -1.989 17707
3593 1 9 . 1 1 93 93 PHE H H 59 8.824 8.824 7.912 0.912 17707
3594 1 9 . 1 1 94 94 VAL N N 60 123.120 123.120 123.702 -0.582 17707
3595 1 9 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.893 -0.589 17707
3596 1 9 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.097 -0.166 17707
3597 1 9 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.301 -3.872 17707
3598 1 9 . 1 1 94 94 VAL H H 60 8.581 8.581 7.638 0.943 17707
3599 1 9 . 1 1 95 95 ARG N N 61 123.954 123.954 118.668 5.286 17707
3600 1 9 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.307 0.245 17707
3601 1 9 . 1 1 95 95 ARG CA C 61 50.515 50.515 53.868 -3.353 17707
3602 1 9 . 1 1 95 95 ARG H H 61 8.727 8.727 8.577 0.150 17707
3603 1 9 . 1 1 96 96 PHE N N 62 121.921 121.921 121.163 0.758 17707
3604 1 9 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.745 0.158 17707
3605 1 9 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.316 -1.750 17707
3606 1 9 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.014 -3.128 17707
3607 1 9 . 1 1 96 96 PHE H H 62 9.127 9.127 8.202 0.925 17707
3608 1 9 . 1 1 97 97 HIS N N 63 120.064 120.064 119.251 0.813 17707
3609 1 9 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.676 -0.338 17707
3610 1 9 . 1 1 97 97 HIS CA C 63 57.261 57.261 57.372 -0.111 17707
3611 1 9 . 1 1 97 97 HIS CB C 63 27.288 27.288 30.850 -3.562 17707
3612 1 9 . 1 1 97 97 HIS H H 63 7.982 7.982 8.525 -0.543 17707
3613 1 9 . 1 1 98 98 ASP N N 64 119.665 119.665 121.406 -1.741 17707
3614 1 9 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.740 0.319 17707
3615 1 9 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.431 -5.237 17707
3616 1 9 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.243 -1.145 17707
3617 1 9 . 1 1 98 98 ASP H H 64 9.096 9.096 8.641 0.455 17707
3618 1 9 . 1 1 99 99 LYS N N 65 127.804 127.804 126.281 1.523 17707
3619 1 9 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.994 -0.149 17707
3620 1 9 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.545 -2.149 17707
3621 1 9 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.580 -2.334 17707
3622 1 9 . 1 1 99 99 LYS H H 65 8.784 8.784 8.800 -0.016 17707
3623 1 9 . 1 1 100 100 ARG N N 66 118.451 118.451 117.262 1.189 17707
3624 1 9 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.106 -0.036 17707
3625 1 9 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.871 -2.732 17707
3626 1 9 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.800 -2.034 17707
3627 1 9 . 1 1 100 100 ARG H H 66 8.600 8.600 8.529 0.071 17707
3628 1 9 . 1 1 101 101 ASP N N 67 119.627 119.627 118.187 1.440 17707
3629 1 9 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.606 -0.412 17707
3630 1 9 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.728 -2.495 17707
3631 1 9 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.657 -2.661 17707
3632 1 9 . 1 1 101 101 ASP H H 67 7.089 7.089 8.651 -1.562 17707
3633 1 9 . 1 1 102 102 ALA N N 68 119.421 119.421 122.215 -2.794 17707
3634 1 9 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.563 -0.599 17707
3635 1 9 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.758 -3.055 17707
3636 1 9 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.926 -3.258 17707
3637 1 9 . 1 1 102 102 ALA H H 68 6.832 6.832 7.237 -0.405 17707
3638 1 9 . 1 1 103 103 GLU N N 69 117.506 117.506 117.255 0.251 17707
3639 1 9 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.961 -0.303 17707
3640 1 9 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.636 -1.474 17707
3641 1 9 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.379 -2.954 17707
3642 1 9 . 1 1 103 103 GLU H H 69 8.011 8.011 8.087 -0.076 17707
3643 1 9 . 1 1 104 104 ASP N N 70 120.487 120.487 120.805 -0.318 17707
3644 1 9 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.454 -0.188 17707
3645 1 9 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.717 -2.229 17707
3646 1 9 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.082 -3.620 17707
3647 1 9 . 1 1 104 104 ASP H H 70 8.020 8.020 7.610 0.410 17707
3648 1 9 . 1 1 105 105 ALA N N 71 122.179 122.179 120.562 1.617 17707
3649 1 9 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.258 -0.483 17707
3650 1 9 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.537 -2.792 17707
3651 1 9 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.498 -1.290 17707
3652 1 9 . 1 1 105 105 ALA H H 71 8.118 8.118 7.263 0.855 17707
3653 1 9 . 1 1 106 106 MET N N 72 118.380 118.380 115.353 3.027 17707
3654 1 9 . 1 1 106 106 MET HA H 72 3.655 3.655 4.200 -0.545 17707
3655 1 9 . 1 1 106 106 MET CA C 72 57.188 57.188 58.568 -1.379 17707
3656 1 9 . 1 1 106 106 MET CB C 72 30.409 30.409 32.715 -2.306 17707
3657 1 9 . 1 1 106 106 MET H H 72 8.279 8.279 7.473 0.806 17707
3658 1 9 . 1 1 107 107 ASP N N 73 117.030 117.030 120.197 -3.167 17707
3659 1 9 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.519 -0.192 17707
3660 1 9 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.734 -1.675 17707
3661 1 9 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.866 -2.773 17707
3662 1 9 . 1 1 107 107 ASP H H 73 7.749 7.749 7.803 -0.054 17707
3663 1 9 . 1 1 108 108 ALA N N 74 117.995 117.995 119.081 -1.086 17707
3664 1 9 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.626 -0.502 17707
3665 1 9 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.732 -1.398 17707
3666 1 9 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.345 -2.686 17707
3667 1 9 . 1 1 108 108 ALA H H 74 7.347 7.347 7.420 -0.073 17707
3668 1 9 . 1 1 109 109 MET N N 75 112.202 112.202 116.879 -4.677 17707
3669 1 9 . 1 1 109 109 MET HA H 75 4.742 4.742 4.565 0.177 17707
3670 1 9 . 1 1 109 109 MET CA C 75 50.546 50.546 55.707 -5.161 17707
3671 1 9 . 1 1 109 109 MET H H 75 8.057 8.057 7.662 0.395 17707
3672 1 9 . 1 1 110 110 ASP N N 76 120.043 120.043 120.784 -0.741 17707
3673 1 9 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.419 -0.033 17707
3674 1 9 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.616 -1.671 17707
3675 1 9 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.202 -2.598 17707
3676 1 9 . 1 1 110 110 ASP H H 76 7.825 7.825 7.650 0.175 17707
3677 1 9 . 1 1 111 111 GLY N N 77 117.743 117.743 112.326 5.417 17707
3678 1 9 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.703 -2.687 17707
3679 1 9 . 1 1 111 111 GLY H H 77 8.636 8.636 8.182 0.454 17707
3680 1 9 . 1 1 112 112 ALA N N 78 123.755 123.755 122.768 0.987 17707
3681 1 9 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.466 -0.147 17707
3682 1 9 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.372 -2.336 17707
3683 1 9 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.484 -1.036 17707
3684 1 9 . 1 1 112 112 ALA H H 78 7.909 7.909 7.740 0.169 17707
3685 1 9 . 1 1 113 113 VAL N N 79 118.703 118.703 119.957 -1.254 17707
3686 1 9 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.957 0.656 17707
3687 1 9 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.953 -3.381 17707
3688 1 9 . 1 1 113 113 VAL H H 79 8.083 8.083 7.525 0.558 17707
3689 1 9 . 1 1 114 114 LEU N N 80 129.473 129.473 118.922 10.551 17707
3690 1 9 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.729 -0.186 17707
3691 1 9 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.551 -3.609 17707
3692 1 9 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.960 -0.375 17707
3693 1 9 . 1 1 114 114 LEU H H 80 8.895 8.895 8.522 0.373 17707
3694 1 9 . 1 1 115 115 ASP N N 81 129.660 129.660 119.846 9.814 17707
3695 1 9 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.737 -0.508 17707
3696 1 9 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.801 -1.549 17707
3697 1 9 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.896 -4.624 17707
3698 1 9 . 1 1 115 115 ASP H H 81 9.428 9.428 8.218 1.210 17707
3699 1 9 . 1 1 116 116 GLY N N 82 100.557 100.557 107.108 -6.551 17707
3700 1 9 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.838 -1.957 17707
3701 1 9 . 1 1 116 116 GLY H H 82 7.978 7.978 8.023 -0.045 17707
3702 1 9 . 1 1 117 117 ARG N N 83 120.104 120.104 118.525 1.579 17707
3703 1 9 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.622 -0.072 17707
3704 1 9 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.165 -4.059 17707
3705 1 9 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.262 -1.617 17707
3706 1 9 . 1 1 117 117 ARG H H 83 7.493 7.493 7.470 0.023 17707
3707 1 9 . 1 1 118 118 GLU N N 84 121.206 121.206 118.500 2.706 17707
3708 1 9 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.506 -0.203 17707
3709 1 9 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.653 -3.224 17707
3710 1 9 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.494 -5.368 17707
3711 1 9 . 1 1 118 118 GLU H H 84 8.352 8.352 8.594 -0.242 17707
3712 1 9 . 1 1 119 119 LEU N N 85 127.970 127.970 118.854 9.116 17707
3713 1 9 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.882 -0.320 17707
3714 1 9 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.472 -0.949 17707
3715 1 9 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.181 -4.370 17707
3716 1 9 . 1 1 119 119 LEU H H 85 9.349 9.349 7.843 1.506 17707
3717 1 9 . 1 1 120 120 ARG N N 86 121.001 121.001 122.048 -1.047 17707
3718 1 9 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.186 -0.012 17707
3719 1 9 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.836 -3.241 17707
3720 1 9 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.573 -2.881 17707
3721 1 9 . 1 1 120 120 ARG H H 86 7.512 7.512 8.326 -0.814 17707
3722 1 9 . 1 1 121 121 VAL N N 87 125.999 125.999 123.882 2.117 17707
3723 1 9 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.933 0.005 17707
3724 1 9 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.851 -2.085 17707
3725 1 9 . 1 1 121 121 VAL H H 87 9.437 9.437 9.147 0.290 17707
3726 1 9 . 1 1 122 122 GLN N N 88 121.684 121.684 124.398 -2.714 17707
3727 1 9 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.529 0.440 17707
3728 1 9 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.116 -3.217 17707
3729 1 9 . 1 1 122 122 GLN CB C 88 31.157 31.157 32.768 -1.611 17707
3730 1 9 . 1 1 122 122 GLN H H 88 8.301 8.301 8.640 -0.339 17707
3731 1 9 . 1 1 123 123 MET N N 89 121.937 121.937 119.649 2.288 17707
3732 1 9 . 1 1 123 123 MET HA H 89 4.529 4.529 4.391 0.138 17707
3733 1 9 . 1 1 123 123 MET CA C 89 53.328 53.328 55.282 -1.954 17707
3734 1 9 . 1 1 123 123 MET CB C 89 28.750 28.750 32.727 -3.977 17707
3735 1 9 . 1 1 123 123 MET H H 89 8.714 8.714 8.666 0.048 17707
3736 1 9 . 1 1 124 124 ALA N N 90 126.984 126.984 127.584 -0.600 17707
3737 1 9 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.241 0.176 17707
3738 1 9 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.643 -2.840 17707
3739 1 9 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.743 -4.491 17707
3740 1 9 . 1 1 124 124 ALA H H 90 8.437 8.437 8.275 0.162 17707
3741 1 9 . 1 1 125 125 ARG H H 91 9.886 9.886 8.678 1.208 17707
3742 1 9 . 1 1 127 127 GLY CA C 93 41.736 41.736 43.853 -2.117 17707
3743 1 9 . 1 1 128 128 ARG N N 94 120.921 120.921 121.449 -0.528 17707
3744 1 9 . 1 1 128 128 ARG H H 94 8.245 8.245 8.485 -0.240 17707
3745 1 9 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.695 -0.102 17707
3746 1 9 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.923 -2.934 17707
3747 1 9 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.454 -0.137 17707
3748 1 9 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.740 -3.345 17707
3749 1 9 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.688 -3.426 17707
3750 1 9 . 1 1 131 131 ASP N N 97 119.855 119.855 117.480 2.375 17707
3751 1 9 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.945 -0.453 17707
3752 1 9 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.559 -2.144 17707
3753 1 9 . 1 1 131 131 ASP CB C 97 38.553 38.553 43.782 -5.229 17707
3754 1 9 . 1 1 131 131 ASP H H 97 8.196 8.196 7.762 0.434 17707
3755 1 9 . 1 1 132 132 SER N N 98 116.150 116.150 114.131 2.019 17707
3756 1 9 . 1 1 132 132 SER HA H 98 4.286 4.286 4.737 -0.451 17707
3757 1 9 . 1 1 132 132 SER CA C 98 55.729 55.729 58.321 -2.592 17707
3758 1 9 . 1 1 132 132 SER CB C 98 61.088 61.088 64.533 -3.445 17707
3759 1 9 . 1 1 132 132 SER H H 98 8.070 8.070 8.891 -0.821 17707
3760 1 9 . 1 1 133 133 HIS N N 99 119.771 119.771 119.475 0.296 17707
3761 1 9 . 1 1 133 133 HIS CB C 99 27.067 27.067 28.218 -1.151 17707
3762 1 9 . 1 1 133 133 HIS H H 99 8.322 8.322 8.789 -0.467 17707
3763 1 10 . 1 1 36 36 SER N N 2 116.365 116.365 116.621 -0.256 17707
3764 1 10 . 1 1 36 36 SER HA H 2 4.398 4.398 4.786 -0.388 17707
3765 1 10 . 1 1 36 36 SER CA C 2 55.706 55.706 57.599 -1.893 17707
3766 1 10 . 1 1 36 36 SER CB C 2 61.260 61.260 64.830 -3.570 17707
3767 1 10 . 1 1 36 36 SER H H 2 8.112 8.112 8.206 -0.094 17707
3768 1 10 . 1 1 37 37 TYR N N 3 121.885 121.885 118.757 3.128 17707
3769 1 10 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.675 -0.041 17707
3770 1 10 . 1 1 37 37 TYR CB C 3 36.183 36.183 39.055 -2.872 17707
3771 1 10 . 1 1 37 37 TYR H H 3 8.155 8.155 8.421 -0.266 17707
3772 1 10 . 1 1 38 38 GLY N N 4 109.771 109.771 108.080 1.691 17707
3773 1 10 . 1 1 38 38 GLY H H 4 8.332 8.332 7.848 0.484 17707
3774 1 10 . 1 1 39 39 ARG N N 5 121.087 121.087 119.740 1.347 17707
3775 1 10 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.057 0.484 17707
3776 1 10 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.987 -4.793 17707
3777 1 10 . 1 1 39 39 ARG H H 5 8.224 8.224 7.955 0.269 17707
3778 1 10 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.618 -0.379 17707
3779 1 10 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.686 -3.292 17707
3780 1 10 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.613 -0.229 17707
3781 1 10 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.250 -3.678 17707
3782 1 10 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.639 -0.366 17707
3783 1 10 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.266 -2.135 17707
3784 1 10 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.236 -4.139 17707
3785 1 10 . 1 1 43 43 ASP N N 9 119.118 119.118 117.782 1.336 17707
3786 1 10 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.784 -0.272 17707
3787 1 10 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.918 -2.377 17707
3788 1 10 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.483 -2.985 17707
3789 1 10 . 1 1 43 43 ASP H H 9 8.425 8.425 8.520 -0.095 17707
3790 1 10 . 1 1 44 44 VAL N N 10 118.278 118.278 116.819 1.459 17707
3791 1 10 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.813 0.393 17707
3792 1 10 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.170 -5.007 17707
3793 1 10 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.631 -2.633 17707
3794 1 10 . 1 1 44 44 VAL H H 10 7.882 7.882 8.026 -0.144 17707
3795 1 10 . 1 1 45 45 GLU N N 11 123.222 123.222 118.905 4.317 17707
3796 1 10 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.198 -0.150 17707
3797 1 10 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.757 -0.910 17707
3798 1 10 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.564 -2.117 17707
3799 1 10 . 1 1 45 45 GLU H H 11 8.328 8.328 8.392 -0.064 17707
3800 1 10 . 1 1 46 46 GLY N N 12 108.993 108.993 109.027 -0.034 17707
3801 1 10 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.266 -2.567 17707
3802 1 10 . 1 1 46 46 GLY H H 12 8.361 8.361 7.873 0.488 17707
3803 1 10 . 1 1 47 47 MET N N 13 118.074 118.074 117.861 0.213 17707
3804 1 10 . 1 1 47 47 MET HA H 13 4.584 4.584 5.060 -0.476 17707
3805 1 10 . 1 1 47 47 MET CB C 13 31.447 31.447 34.891 -3.444 17707
3806 1 10 . 1 1 47 47 MET H H 13 7.493 7.493 7.496 -0.003 17707
3807 1 10 . 1 1 48 48 THR N N 14 118.968 118.968 116.535 2.433 17707
3808 1 10 . 1 1 48 48 THR HA H 14 4.534 4.534 4.173 0.361 17707
3809 1 10 . 1 1 48 48 THR CA C 14 60.656 60.656 65.100 -4.444 17707
3810 1 10 . 1 1 48 48 THR CB C 14 67.544 67.544 68.968 -1.424 17707
3811 1 10 . 1 1 48 48 THR H H 14 8.993 8.993 8.654 0.339 17707
3812 1 10 . 1 1 49 49 SER N N 15 123.365 123.365 113.493 9.872 17707
3813 1 10 . 1 1 49 49 SER HA H 15 5.017 5.017 4.122 0.895 17707
3814 1 10 . 1 1 49 49 SER CB C 15 61.787 61.787 61.862 -0.075 17707
3815 1 10 . 1 1 49 49 SER H H 15 9.097 9.097 7.954 1.143 17707
3816 1 10 . 1 1 50 50 LEU N N 16 124.488 124.488 121.156 3.332 17707
3817 1 10 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.112 0.896 17707
3818 1 10 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.571 -5.212 17707
3819 1 10 . 1 1 50 50 LEU CB C 16 41.102 41.102 42.046 -0.944 17707
3820 1 10 . 1 1 50 50 LEU H H 16 9.495 9.495 7.380 2.115 17707
3821 1 10 . 1 1 51 51 LYS N N 17 123.276 123.276 126.880 -3.604 17707
3822 1 10 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.225 -0.344 17707
3823 1 10 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.209 -1.784 17707
3824 1 10 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.373 -3.042 17707
3825 1 10 . 1 1 51 51 LYS H H 17 9.239 9.239 8.104 1.135 17707
3826 1 10 . 1 1 52 52 VAL N N 18 130.086 130.086 119.606 10.480 17707
3827 1 10 . 1 1 52 52 VAL HA H 18 4.774 4.774 5.031 -0.257 17707
3828 1 10 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.067 -0.841 17707
3829 1 10 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.018 -4.096 17707
3830 1 10 . 1 1 52 52 VAL H H 18 9.136 9.136 7.637 1.499 17707
3831 1 10 . 1 1 53 53 ASP N N 19 125.621 125.621 123.063 2.558 17707
3832 1 10 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.054 0.124 17707
3833 1 10 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.594 -2.980 17707
3834 1 10 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.932 -2.385 17707
3835 1 10 . 1 1 53 53 ASP H H 19 9.312 9.312 8.819 0.493 17707
3836 1 10 . 1 1 54 54 ASN N N 20 112.496 112.496 115.366 -2.870 17707
3837 1 10 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.484 -0.007 17707
3838 1 10 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.779 -2.763 17707
3839 1 10 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.745 -3.126 17707
3840 1 10 . 1 1 54 54 ASN H H 20 8.438 8.438 8.700 -0.262 17707
3841 1 10 . 1 1 55 55 LEU N N 21 114.844 114.844 118.980 -4.136 17707
3842 1 10 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.155 0.208 17707
3843 1 10 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.891 -4.884 17707
3844 1 10 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.346 -0.330 17707
3845 1 10 . 1 1 55 55 LEU H H 21 7.477 7.477 7.745 -0.268 17707
3846 1 10 . 1 1 56 56 THR N N 22 111.571 111.571 116.910 -5.339 17707
3847 1 10 . 1 1 56 56 THR HA H 22 4.361 4.361 4.449 -0.088 17707
3848 1 10 . 1 1 56 56 THR CA C 22 58.212 58.212 61.818 -3.606 17707
3849 1 10 . 1 1 56 56 THR CB C 22 68.233 68.233 70.003 -1.770 17707
3850 1 10 . 1 1 56 56 THR H H 22 8.341 8.341 7.866 0.475 17707
3851 1 10 . 1 1 57 57 TYR N N 23 122.008 122.008 120.045 1.963 17707
3852 1 10 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.384 -0.074 17707
3853 1 10 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.576 -3.000 17707
3854 1 10 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.324 -3.139 17707
3855 1 10 . 1 1 57 57 TYR H H 23 8.587 8.587 8.888 -0.301 17707
3856 1 10 . 1 1 58 58 ARG N N 24 114.767 114.767 116.434 -1.667 17707
3857 1 10 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.655 -0.392 17707
3858 1 10 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.514 -2.418 17707
3859 1 10 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.366 -2.962 17707
3860 1 10 . 1 1 58 58 ARG H H 24 7.262 7.262 7.810 -0.548 17707
3861 1 10 . 1 1 59 59 THR N N 25 119.267 119.267 116.986 2.281 17707
3862 1 10 . 1 1 59 59 THR HA H 25 4.015 4.015 4.604 -0.589 17707
3863 1 10 . 1 1 59 59 THR CA C 25 62.247 62.247 61.026 1.221 17707
3864 1 10 . 1 1 59 59 THR CB C 25 65.785 65.785 70.687 -4.902 17707
3865 1 10 . 1 1 59 59 THR H H 25 7.348 7.348 7.626 -0.278 17707
3866 1 10 . 1 1 60 60 SER N N 26 124.341 124.341 115.353 8.988 17707
3867 1 10 . 1 1 60 60 SER HA H 26 4.861 4.861 4.969 -0.108 17707
3868 1 10 . 1 1 60 60 SER CA C 26 52.864 52.864 55.262 -2.398 17707
3869 1 10 . 1 1 60 60 SER CB C 26 61.783 61.783 64.706 -2.923 17707
3870 1 10 . 1 1 60 60 SER H H 26 8.319 8.319 8.043 0.276 17707
3871 1 10 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.354 -0.344 17707
3872 1 10 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.033 -1.950 17707
3873 1 10 . 1 1 62 62 ASP N N 28 115.615 115.615 117.595 -1.980 17707
3874 1 10 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.482 -0.106 17707
3875 1 10 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.234 -2.554 17707
3876 1 10 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.785 -2.533 17707
3877 1 10 . 1 1 62 62 ASP H H 28 8.020 8.020 8.501 -0.481 17707
3878 1 10 . 1 1 63 63 THR N N 29 118.079 118.079 117.374 0.705 17707
3879 1 10 . 1 1 63 63 THR HA H 29 3.902 3.902 4.232 -0.330 17707
3880 1 10 . 1 1 63 63 THR CA C 29 63.729 63.729 66.647 -2.918 17707
3881 1 10 . 1 1 63 63 THR CB C 29 65.634 65.634 68.936 -3.301 17707
3882 1 10 . 1 1 63 63 THR H H 29 7.766 7.766 7.441 0.325 17707
3883 1 10 . 1 1 64 64 LEU N N 30 118.985 118.985 120.585 -1.600 17707
3884 1 10 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.256 -0.203 17707
3885 1 10 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.605 -2.627 17707
3886 1 10 . 1 1 64 64 LEU CB C 30 39.831 39.831 41.046 -1.215 17707
3887 1 10 . 1 1 64 64 LEU H H 30 7.495 7.495 8.554 -1.059 17707
3888 1 10 . 1 1 65 65 ARG N N 31 119.245 119.245 120.155 -0.910 17707
3889 1 10 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.246 -0.602 17707
3890 1 10 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.420 -0.064 17707
3891 1 10 . 1 1 65 65 ARG H H 31 8.583 8.583 7.681 0.902 17707
3892 1 10 . 1 1 66 66 ARG N N 32 115.695 115.695 119.359 -3.664 17707
3893 1 10 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.124 -0.052 17707
3894 1 10 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.059 -2.385 17707
3895 1 10 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.617 -2.059 17707
3896 1 10 . 1 1 66 66 ARG H H 32 7.707 7.707 7.705 0.001 17707
3897 1 10 . 1 1 67 67 VAL N N 33 115.500 115.500 119.067 -3.567 17707
3898 1 10 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.837 0.055 17707
3899 1 10 . 1 1 67 67 VAL CA C 33 62.656 62.656 66.157 -3.501 17707
3900 1 10 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.063 -2.507 17707
3901 1 10 . 1 1 67 67 VAL H H 33 7.739 7.739 8.296 -0.557 17707
3902 1 10 . 1 1 68 68 PHE N N 34 116.290 116.290 115.546 0.744 17707
3903 1 10 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.925 -0.427 17707
3904 1 10 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.543 0.485 17707
3905 1 10 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.693 -4.501 17707
3906 1 10 . 1 1 68 68 PHE H H 34 8.253 8.253 7.593 0.660 17707
3907 1 10 . 1 1 69 69 GLU N N 35 119.333 119.333 121.583 -2.250 17707
3908 1 10 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.084 0.951 17707
3909 1 10 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.288 -4.306 17707
3910 1 10 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.465 -3.291 17707
3911 1 10 . 1 1 69 69 GLU H H 35 8.583 8.583 8.829 -0.246 17707
3912 1 10 . 1 1 70 70 LYS N N 36 118.341 118.341 118.422 -0.081 17707
3913 1 10 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.104 -0.212 17707
3914 1 10 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.326 -2.867 17707
3915 1 10 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.686 -2.462 17707
3916 1 10 . 1 1 70 70 LYS H H 36 6.871 6.871 7.910 -1.039 17707
3917 1 10 . 1 1 71 71 TYR N N 37 115.014 115.014 118.197 -3.183 17707
3918 1 10 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.370 -0.063 17707
3919 1 10 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.854 -3.620 17707
3920 1 10 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.093 -2.458 17707
3921 1 10 . 1 1 71 71 TYR H H 37 7.611 7.611 7.607 0.004 17707
3922 1 10 . 1 1 72 72 GLY N N 38 104.741 104.741 104.833 -0.092 17707
3923 1 10 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.151 -3.522 17707
3924 1 10 . 1 1 72 72 GLY H H 38 7.356 7.356 7.960 -0.604 17707
3925 1 10 . 1 1 73 73 ARG N N 39 115.783 115.783 119.605 -3.822 17707
3926 1 10 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.635 -0.267 17707
3927 1 10 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.349 -0.646 17707
3928 1 10 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.795 -4.943 17707
3929 1 10 . 1 1 73 73 ARG H H 39 7.990 7.990 7.762 0.228 17707
3930 1 10 . 1 1 74 74 VAL N N 40 130.246 130.246 118.214 12.032 17707
3931 1 10 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.550 0.149 17707
3932 1 10 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.117 -1.634 17707
3933 1 10 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.662 -4.363 17707
3934 1 10 . 1 1 74 74 VAL H H 40 8.846 8.846 8.271 0.575 17707
3935 1 10 . 1 1 75 75 GLY N N 41 114.952 114.952 114.116 0.836 17707
3936 1 10 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.474 -2.569 17707
3937 1 10 . 1 1 75 75 GLY H H 41 8.943 8.943 8.503 0.440 17707
3938 1 10 . 1 1 76 76 ASP N N 42 115.344 115.344 117.848 -2.504 17707
3939 1 10 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.986 -0.274 17707
3940 1 10 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.871 -1.357 17707
3941 1 10 . 1 1 76 76 ASP H H 42 7.224 7.224 7.582 -0.358 17707
3942 1 10 . 1 1 77 77 VAL N N 43 122.703 122.703 120.873 1.830 17707
3943 1 10 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.433 0.290 17707
3944 1 10 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.657 -1.310 17707
3945 1 10 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.681 -1.099 17707
3946 1 10 . 1 1 77 77 VAL H H 43 7.551 7.551 8.667 -1.116 17707
3947 1 10 . 1 1 78 78 TYR N N 44 125.956 125.956 129.550 -3.594 17707
3948 1 10 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.735 0.236 17707
3949 1 10 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.416 -4.110 17707
3950 1 10 . 1 1 78 78 TYR H H 44 9.023 9.023 8.164 0.859 17707
3951 1 10 . 1 1 79 79 ILE N N 45 129.856 129.856 121.589 8.267 17707
3952 1 10 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.177 0.079 17707
3953 1 10 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.856 -2.458 17707
3954 1 10 . 1 1 79 79 ILE CB C 45 36.314 36.314 38.988 -2.674 17707
3955 1 10 . 1 1 79 79 ILE H H 45 8.231 8.231 7.654 0.577 17707
3956 1 10 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.070 -0.166 17707
3957 1 10 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.876 -3.235 17707
3958 1 10 . 1 1 81 81 ARG H H 47 8.593 8.593 8.320 0.273 17707
3959 1 10 . 1 1 82 82 ASP N N 48 125.712 125.712 121.566 4.146 17707
3960 1 10 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.411 -0.029 17707
3961 1 10 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.445 -1.986 17707
3962 1 10 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.219 0.089 17707
3963 1 10 . 1 1 82 82 ASP H H 48 8.948 8.948 8.424 0.524 17707
3964 1 10 . 1 1 83 83 ARG N N 49 125.207 125.207 123.614 1.593 17707
3965 1 10 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.080 -0.384 17707
3966 1 10 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.630 -2.016 17707
3967 1 10 . 1 1 83 83 ARG H H 49 8.688 8.688 8.658 0.030 17707
3968 1 10 . 1 1 84 84 TYR N N 50 117.911 117.911 112.532 5.379 17707
3969 1 10 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.895 -0.301 17707
3970 1 10 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.298 -0.532 17707
3971 1 10 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.893 -2.706 17707
3972 1 10 . 1 1 84 84 TYR H H 50 8.449 8.449 7.095 1.354 17707
3973 1 10 . 1 1 85 85 THR N N 51 110.450 110.450 111.757 -1.307 17707
3974 1 10 . 1 1 85 85 THR HA H 51 4.230 4.230 4.429 -0.199 17707
3975 1 10 . 1 1 85 85 THR CA C 51 59.620 59.620 61.523 -1.903 17707
3976 1 10 . 1 1 85 85 THR CB C 51 67.745 67.745 70.627 -2.882 17707
3977 1 10 . 1 1 85 85 THR H H 51 9.141 9.141 7.143 1.998 17707
3978 1 10 . 1 1 86 86 LYS N N 52 113.570 113.570 117.942 -4.372 17707
3979 1 10 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.832 0.123 17707
3980 1 10 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.513 -3.085 17707
3981 1 10 . 1 1 86 86 LYS H H 52 7.821 7.821 8.176 -0.355 17707
3982 1 10 . 1 1 87 87 GLU N N 53 118.364 118.364 118.972 -0.608 17707
3983 1 10 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.109 0.271 17707
3984 1 10 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.386 -3.745 17707
3985 1 10 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.424 -1.583 17707
3986 1 10 . 1 1 87 87 GLU H H 53 7.714 7.714 7.656 0.058 17707
3987 1 10 . 1 1 88 88 SER N N 54 115.692 115.692 113.640 2.052 17707
3988 1 10 . 1 1 88 88 SER CB C 54 61.369 61.369 64.229 -2.860 17707
3989 1 10 . 1 1 88 88 SER H H 54 8.705 8.705 8.199 0.506 17707
3990 1 10 . 1 1 89 89 ARG N N 55 122.170 122.170 122.023 0.147 17707
3991 1 10 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.600 -0.283 17707
3992 1 10 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.322 -1.528 17707
3993 1 10 . 1 1 89 89 ARG H H 55 7.934 7.934 8.562 -0.628 17707
3994 1 10 . 1 1 90 90 GLY N N 56 106.948 106.948 108.536 -1.588 17707
3995 1 10 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.305 -2.030 17707
3996 1 10 . 1 1 90 90 GLY H H 56 8.557 8.557 7.873 0.684 17707
3997 1 10 . 1 1 91 91 PHE N N 57 113.487 113.487 113.513 -0.026 17707
3998 1 10 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.919 0.673 17707
3999 1 10 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.623 -3.712 17707
4000 1 10 . 1 1 91 91 PHE CB C 57 39.778 39.778 41.083 -1.305 17707
4001 1 10 . 1 1 91 91 PHE H H 57 6.936 6.936 7.080 -0.144 17707
4002 1 10 . 1 1 92 92 ALA N N 58 117.841 117.841 122.796 -4.955 17707
4003 1 10 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.537 0.211 17707
4004 1 10 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.162 -4.627 17707
4005 1 10 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.818 2.780 17707
4006 1 10 . 1 1 92 92 ALA H H 58 8.848 8.848 8.338 0.510 17707
4007 1 10 . 1 1 93 93 PHE N N 59 115.981 115.981 127.620 -11.639 17707
4008 1 10 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.860 0.813 17707
4009 1 10 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.168 -4.306 17707
4010 1 10 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.708 -1.810 17707
4011 1 10 . 1 1 93 93 PHE H H 59 8.824 8.824 8.278 0.546 17707
4012 1 10 . 1 1 94 94 VAL N N 60 123.120 123.120 128.266 -5.146 17707
4013 1 10 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.256 0.048 17707
4014 1 10 . 1 1 94 94 VAL CA C 60 58.931 58.931 61.456 -2.525 17707
4015 1 10 . 1 1 94 94 VAL CB C 60 31.429 31.429 33.733 -2.304 17707
4016 1 10 . 1 1 94 94 VAL H H 60 8.581 8.581 7.813 0.768 17707
4017 1 10 . 1 1 95 95 ARG N N 61 123.954 123.954 121.222 2.732 17707
4018 1 10 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.336 0.216 17707
4019 1 10 . 1 1 95 95 ARG CA C 61 50.515 50.515 53.854 -3.339 17707
4020 1 10 . 1 1 95 95 ARG H H 61 8.727 8.727 8.926 -0.199 17707
4021 1 10 . 1 1 96 96 PHE N N 62 121.921 121.921 121.799 0.122 17707
4022 1 10 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.744 0.159 17707
4023 1 10 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.217 -1.651 17707
4024 1 10 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.215 -3.329 17707
4025 1 10 . 1 1 96 96 PHE H H 62 9.127 9.127 8.326 0.801 17707
4026 1 10 . 1 1 97 97 HIS N N 63 120.064 120.064 118.414 1.650 17707
4027 1 10 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.624 -0.286 17707
4028 1 10 . 1 1 97 97 HIS CA C 63 57.261 57.261 57.083 0.178 17707
4029 1 10 . 1 1 97 97 HIS CB C 63 27.288 27.288 30.716 -3.428 17707
4030 1 10 . 1 1 97 97 HIS H H 63 7.982 7.982 8.539 -0.557 17707
4031 1 10 . 1 1 98 98 ASP N N 64 119.665 119.665 119.950 -0.285 17707
4032 1 10 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.974 0.085 17707
4033 1 10 . 1 1 98 98 ASP CA C 64 50.195 50.195 53.863 -3.668 17707
4034 1 10 . 1 1 98 98 ASP CB C 64 41.098 41.098 43.269 -2.171 17707
4035 1 10 . 1 1 98 98 ASP H H 64 9.096 9.096 8.099 0.997 17707
4036 1 10 . 1 1 99 99 LYS N N 65 127.804 127.804 126.313 1.491 17707
4037 1 10 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.942 -0.097 17707
4038 1 10 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.420 -2.024 17707
4039 1 10 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.419 -2.173 17707
4040 1 10 . 1 1 99 99 LYS H H 65 8.784 8.784 8.860 -0.076 17707
4041 1 10 . 1 1 100 100 ARG N N 66 118.451 118.451 116.396 2.055 17707
4042 1 10 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.095 -0.025 17707
4043 1 10 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.907 -2.768 17707
4044 1 10 . 1 1 100 100 ARG CB C 66 26.766 26.766 29.218 -2.453 17707
4045 1 10 . 1 1 100 100 ARG H H 66 8.600 8.600 8.879 -0.279 17707
4046 1 10 . 1 1 101 101 ASP N N 67 119.627 119.627 116.859 2.768 17707
4047 1 10 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.785 -0.591 17707
4048 1 10 . 1 1 101 101 ASP CA C 67 54.233 54.233 55.639 -1.407 17707
4049 1 10 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.647 -2.651 17707
4050 1 10 . 1 1 101 101 ASP H H 67 7.089 7.089 7.786 -0.697 17707
4051 1 10 . 1 1 102 102 ALA N N 68 119.421 119.421 124.034 -4.613 17707
4052 1 10 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.607 -0.643 17707
4053 1 10 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.042 -3.339 17707
4054 1 10 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.917 -3.249 17707
4055 1 10 . 1 1 102 102 ALA H H 68 6.832 6.832 7.645 -0.813 17707
4056 1 10 . 1 1 103 103 GLU N N 69 117.506 117.506 117.383 0.123 17707
4057 1 10 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.956 -0.298 17707
4058 1 10 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.839 -1.677 17707
4059 1 10 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.442 -3.017 17707
4060 1 10 . 1 1 103 103 GLU H H 69 8.011 8.011 8.639 -0.628 17707
4061 1 10 . 1 1 104 104 ASP N N 70 120.487 120.487 120.788 -0.301 17707
4062 1 10 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.390 -0.124 17707
4063 1 10 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.975 -2.487 17707
4064 1 10 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.967 -3.505 17707
4065 1 10 . 1 1 104 104 ASP H H 70 8.020 8.020 7.683 0.337 17707
4066 1 10 . 1 1 105 105 ALA N N 71 122.179 122.179 120.394 1.785 17707
4067 1 10 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.025 -0.250 17707
4068 1 10 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.458 -2.713 17707
4069 1 10 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.516 -1.308 17707
4070 1 10 . 1 1 105 105 ALA H H 71 8.118 8.118 7.280 0.838 17707
4071 1 10 . 1 1 106 106 MET N N 72 118.380 118.380 115.478 2.902 17707
4072 1 10 . 1 1 106 106 MET HA H 72 3.655 3.655 4.179 -0.524 17707
4073 1 10 . 1 1 106 106 MET CA C 72 57.188 57.188 58.495 -1.307 17707
4074 1 10 . 1 1 106 106 MET CB C 72 30.409 30.409 32.740 -2.331 17707
4075 1 10 . 1 1 106 106 MET H H 72 8.279 8.279 7.419 0.860 17707
4076 1 10 . 1 1 107 107 ASP N N 73 117.030 117.030 119.987 -2.957 17707
4077 1 10 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.525 -0.198 17707
4078 1 10 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.718 -1.659 17707
4079 1 10 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.920 -2.827 17707
4080 1 10 . 1 1 107 107 ASP H H 73 7.749 7.749 7.988 -0.239 17707
4081 1 10 . 1 1 108 108 ALA N N 74 117.995 117.995 119.714 -1.719 17707
4082 1 10 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.574 -0.450 17707
4083 1 10 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.636 -1.302 17707
4084 1 10 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.530 -2.871 17707
4085 1 10 . 1 1 108 108 ALA H H 74 7.347 7.347 7.258 0.089 17707
4086 1 10 . 1 1 109 109 MET N N 75 112.202 112.202 115.876 -3.674 17707
4087 1 10 . 1 1 109 109 MET HA H 75 4.742 4.742 4.540 0.202 17707
4088 1 10 . 1 1 109 109 MET CA C 75 50.546 50.546 55.405 -4.859 17707
4089 1 10 . 1 1 109 109 MET H H 75 8.057 8.057 7.538 0.519 17707
4090 1 10 . 1 1 110 110 ASP N N 76 120.043 120.043 120.783 -0.740 17707
4091 1 10 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.424 -0.038 17707
4092 1 10 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.385 -1.440 17707
4093 1 10 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.023 -2.419 17707
4094 1 10 . 1 1 110 110 ASP H H 76 7.825 7.825 7.608 0.217 17707
4095 1 10 . 1 1 111 111 GLY N N 77 117.743 117.743 113.000 4.743 17707
4096 1 10 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.654 -2.638 17707
4097 1 10 . 1 1 111 111 GLY H H 77 8.636 8.636 8.074 0.562 17707
4098 1 10 . 1 1 112 112 ALA N N 78 123.755 123.755 122.784 0.971 17707
4099 1 10 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.383 -0.064 17707
4100 1 10 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.805 -2.769 17707
4101 1 10 . 1 1 112 112 ALA CB C 78 17.448 17.448 19.127 -1.679 17707
4102 1 10 . 1 1 112 112 ALA H H 78 7.909 7.909 7.609 0.300 17707
4103 1 10 . 1 1 113 113 VAL N N 79 118.703 118.703 115.732 2.971 17707
4104 1 10 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.942 0.671 17707
4105 1 10 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.460 -2.888 17707
4106 1 10 . 1 1 113 113 VAL H H 79 8.083 8.083 7.465 0.618 17707
4107 1 10 . 1 1 114 114 LEU N N 80 129.473 129.473 115.690 13.783 17707
4108 1 10 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.684 -0.141 17707
4109 1 10 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.141 -3.199 17707
4110 1 10 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.330 0.255 17707
4111 1 10 . 1 1 114 114 LEU H H 80 8.895 8.895 8.521 0.374 17707
4112 1 10 . 1 1 115 115 ASP N N 81 129.660 129.660 119.984 9.676 17707
4113 1 10 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.753 -0.524 17707
4114 1 10 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.972 -1.720 17707
4115 1 10 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.934 -4.662 17707
4116 1 10 . 1 1 115 115 ASP H H 81 9.428 9.428 8.034 1.394 17707
4117 1 10 . 1 1 116 116 GLY N N 82 100.557 100.557 108.659 -8.102 17707
4118 1 10 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.303 -2.422 17707
4119 1 10 . 1 1 116 116 GLY H H 82 7.978 7.978 8.031 -0.053 17707
4120 1 10 . 1 1 117 117 ARG N N 83 120.104 120.104 120.511 -0.407 17707
4121 1 10 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.543 0.007 17707
4122 1 10 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.701 -4.595 17707
4123 1 10 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.845 -1.200 17707
4124 1 10 . 1 1 117 117 ARG H H 83 7.493 7.493 7.667 -0.174 17707
4125 1 10 . 1 1 118 118 GLU N N 84 121.206 121.206 120.256 0.950 17707
4126 1 10 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.545 -0.242 17707
4127 1 10 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.606 -3.177 17707
4128 1 10 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.975 -4.849 17707
4129 1 10 . 1 1 118 118 GLU H H 84 8.352 8.352 8.631 -0.279 17707
4130 1 10 . 1 1 119 119 LEU N N 85 127.970 127.970 118.960 9.010 17707
4131 1 10 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.924 -0.362 17707
4132 1 10 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.352 -0.829 17707
4133 1 10 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.153 -4.342 17707
4134 1 10 . 1 1 119 119 LEU H H 85 9.349 9.349 7.799 1.550 17707
4135 1 10 . 1 1 120 120 ARG N N 86 121.001 121.001 121.191 -0.190 17707
4136 1 10 . 1 1 120 120 ARG HA H 86 5.174 5.174 4.960 0.214 17707
4137 1 10 . 1 1 120 120 ARG CA C 86 51.595 51.595 55.010 -3.415 17707
4138 1 10 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.915 -3.223 17707
4139 1 10 . 1 1 120 120 ARG H H 86 7.512 7.512 8.411 -0.899 17707
4140 1 10 . 1 1 121 121 VAL N N 87 125.999 125.999 123.639 2.360 17707
4141 1 10 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.951 -0.013 17707
4142 1 10 . 1 1 121 121 VAL CA C 87 58.766 58.766 59.885 -1.119 17707
4143 1 10 . 1 1 121 121 VAL H H 87 9.437 9.437 7.966 1.471 17707
4144 1 10 . 1 1 122 122 GLN N N 88 121.684 121.684 123.988 -2.304 17707
4145 1 10 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.589 0.380 17707
4146 1 10 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.909 -3.010 17707
4147 1 10 . 1 1 122 122 GLN CB C 88 31.157 31.157 31.654 -0.497 17707
4148 1 10 . 1 1 122 122 GLN H H 88 8.301 8.301 8.584 -0.283 17707
4149 1 10 . 1 1 123 123 MET N N 89 121.937 121.937 119.286 2.651 17707
4150 1 10 . 1 1 123 123 MET HA H 89 4.529 4.529 4.316 0.213 17707
4151 1 10 . 1 1 123 123 MET CA C 89 53.328 53.328 55.406 -2.078 17707
4152 1 10 . 1 1 123 123 MET CB C 89 28.750 28.750 32.088 -3.338 17707
4153 1 10 . 1 1 123 123 MET H H 89 8.714 8.714 8.760 -0.046 17707
4154 1 10 . 1 1 124 124 ALA N N 90 126.984 126.984 127.743 -0.759 17707
4155 1 10 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.302 0.115 17707
4156 1 10 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.653 -2.850 17707
4157 1 10 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.654 -4.402 17707
4158 1 10 . 1 1 124 124 ALA H H 90 8.437 8.437 8.097 0.340 17707
4159 1 10 . 1 1 125 125 ARG H H 91 9.886 9.886 8.873 1.013 17707
4160 1 10 . 1 1 127 127 GLY CA C 93 41.736 41.736 43.658 -1.922 17707
4161 1 10 . 1 1 128 128 ARG N N 94 120.921 120.921 121.087 -0.166 17707
4162 1 10 . 1 1 128 128 ARG H H 94 8.245 8.245 8.361 -0.116 17707
4163 1 10 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.701 -0.108 17707
4164 1 10 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.923 -2.934 17707
4165 1 10 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.427 -0.110 17707
4166 1 10 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.144 -3.749 17707
4167 1 10 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.433 -3.172 17707
4168 1 10 . 1 1 131 131 ASP N N 97 119.855 119.855 117.040 2.815 17707
4169 1 10 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.761 -0.269 17707
4170 1 10 . 1 1 131 131 ASP CA C 97 51.415 51.415 52.576 -1.161 17707
4171 1 10 . 1 1 131 131 ASP CB C 97 38.553 38.553 43.139 -4.586 17707
4172 1 10 . 1 1 131 131 ASP H H 97 8.196 8.196 7.369 0.827 17707
4173 1 10 . 1 1 132 132 SER N N 98 116.150 116.150 115.584 0.566 17707
4174 1 10 . 1 1 132 132 SER HA H 98 4.286 4.286 4.330 -0.044 17707
4175 1 10 . 1 1 132 132 SER CA C 98 55.729 55.729 59.793 -4.064 17707
4176 1 10 . 1 1 132 132 SER CB C 98 61.088 61.088 63.743 -2.655 17707
4177 1 10 . 1 1 132 132 SER H H 98 8.070 8.070 8.486 -0.416 17707
4178 1 10 . 1 1 133 133 HIS N N 99 119.771 119.771 117.591 2.180 17707
4179 1 10 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.186 -4.119 17707
4180 1 10 . 1 1 133 133 HIS H H 99 8.322 8.322 7.786 0.536 17707
4181 1 11 . 1 1 36 36 SER N N 2 116.365 116.365 113.824 2.541 17707
4182 1 11 . 1 1 36 36 SER HA H 2 4.398 4.398 4.720 -0.322 17707
4183 1 11 . 1 1 36 36 SER CA C 2 55.706 55.706 57.489 -1.783 17707
4184 1 11 . 1 1 36 36 SER CB C 2 61.260 61.260 64.625 -3.365 17707
4185 1 11 . 1 1 36 36 SER H H 2 8.112 8.112 8.322 -0.210 17707
4186 1 11 . 1 1 37 37 TYR N N 3 121.885 121.885 119.743 2.142 17707
4187 1 11 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.399 0.235 17707
4188 1 11 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.691 -2.508 17707
4189 1 11 . 1 1 37 37 TYR H H 3 8.155 8.155 8.697 -0.542 17707
4190 1 11 . 1 1 38 38 GLY N N 4 109.771 109.771 106.284 3.487 17707
4191 1 11 . 1 1 38 38 GLY H H 4 8.332 8.332 8.362 -0.030 17707
4192 1 11 . 1 1 39 39 ARG N N 5 121.087 121.087 116.757 4.330 17707
4193 1 11 . 1 1 39 39 ARG HA H 5 4.541 4.541 3.957 0.584 17707
4194 1 11 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.280 -5.085 17707
4195 1 11 . 1 1 39 39 ARG H H 5 8.224 8.224 8.384 -0.160 17707
4196 1 11 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.760 -0.521 17707
4197 1 11 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.403 -3.009 17707
4198 1 11 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.710 -0.326 17707
4199 1 11 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.872 -3.300 17707
4200 1 11 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.598 -0.325 17707
4201 1 11 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.604 -2.473 17707
4202 1 11 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.839 -4.742 17707
4203 1 11 . 1 1 43 43 ASP N N 9 119.118 119.118 117.885 1.233 17707
4204 1 11 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.804 -0.292 17707
4205 1 11 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.859 -2.318 17707
4206 1 11 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.776 -4.277 17707
4207 1 11 . 1 1 43 43 ASP H H 9 8.425 8.425 8.632 -0.207 17707
4208 1 11 . 1 1 44 44 VAL N N 10 118.278 118.278 121.891 -3.613 17707
4209 1 11 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.841 0.365 17707
4210 1 11 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.533 -5.370 17707
4211 1 11 . 1 1 44 44 VAL CB C 10 28.998 28.998 32.050 -3.052 17707
4212 1 11 . 1 1 44 44 VAL H H 10 7.882 7.882 8.043 -0.162 17707
4213 1 11 . 1 1 45 45 GLU N N 11 123.222 123.222 119.676 3.546 17707
4214 1 11 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.204 -0.156 17707
4215 1 11 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.549 -1.702 17707
4216 1 11 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.255 -2.808 17707
4217 1 11 . 1 1 45 45 GLU H H 11 8.328 8.328 8.710 -0.382 17707
4218 1 11 . 1 1 46 46 GLY N N 12 108.993 108.993 106.928 2.065 17707
4219 1 11 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.032 -2.333 17707
4220 1 11 . 1 1 46 46 GLY H H 12 8.361 8.361 7.609 0.752 17707
4221 1 11 . 1 1 47 47 MET N N 13 118.074 118.074 118.423 -0.349 17707
4222 1 11 . 1 1 47 47 MET HA H 13 4.584 4.584 4.862 -0.278 17707
4223 1 11 . 1 1 47 47 MET CB C 13 31.447 31.447 35.835 -4.388 17707
4224 1 11 . 1 1 47 47 MET H H 13 7.493 7.493 7.592 -0.099 17707
4225 1 11 . 1 1 48 48 THR N N 14 118.968 118.968 114.908 4.060 17707
4226 1 11 . 1 1 48 48 THR HA H 14 4.534 4.534 4.268 0.266 17707
4227 1 11 . 1 1 48 48 THR CA C 14 60.656 60.656 64.418 -3.763 17707
4228 1 11 . 1 1 48 48 THR CB C 14 67.544 67.544 69.365 -1.821 17707
4229 1 11 . 1 1 48 48 THR H H 14 8.993 8.993 8.565 0.428 17707
4230 1 11 . 1 1 49 49 SER N N 15 123.365 123.365 117.008 6.357 17707
4231 1 11 . 1 1 49 49 SER HA H 15 5.017 5.017 4.123 0.894 17707
4232 1 11 . 1 1 49 49 SER CB C 15 61.787 61.787 62.023 -0.236 17707
4233 1 11 . 1 1 49 49 SER H H 15 9.097 9.097 7.920 1.177 17707
4234 1 11 . 1 1 50 50 LEU N N 16 124.488 124.488 122.389 2.099 17707
4235 1 11 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.143 0.865 17707
4236 1 11 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.139 -5.780 17707
4237 1 11 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.212 -2.110 17707
4238 1 11 . 1 1 50 50 LEU H H 16 9.495 9.495 7.481 2.014 17707
4239 1 11 . 1 1 51 51 LYS N N 17 123.276 123.276 117.815 5.461 17707
4240 1 11 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.249 -0.368 17707
4241 1 11 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.259 -1.834 17707
4242 1 11 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.137 -3.806 17707
4243 1 11 . 1 1 51 51 LYS H H 17 9.239 9.239 8.983 0.256 17707
4244 1 11 . 1 1 52 52 VAL N N 18 130.086 130.086 120.961 9.125 17707
4245 1 11 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.690 0.084 17707
4246 1 11 . 1 1 52 52 VAL CA C 18 58.226 58.226 61.144 -2.918 17707
4247 1 11 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.130 -4.208 17707
4248 1 11 . 1 1 52 52 VAL H H 18 9.136 9.136 7.624 1.512 17707
4249 1 11 . 1 1 53 53 ASP N N 19 125.621 125.621 123.337 2.284 17707
4250 1 11 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.081 0.097 17707
4251 1 11 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.044 -2.430 17707
4252 1 11 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.351 -2.804 17707
4253 1 11 . 1 1 53 53 ASP H H 19 9.312 9.312 8.853 0.459 17707
4254 1 11 . 1 1 54 54 ASN N N 20 112.496 112.496 115.268 -2.772 17707
4255 1 11 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.452 0.025 17707
4256 1 11 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.668 -2.652 17707
4257 1 11 . 1 1 54 54 ASN CB C 20 34.619 34.619 38.043 -3.424 17707
4258 1 11 . 1 1 54 54 ASN H H 20 8.438 8.438 8.700 -0.262 17707
4259 1 11 . 1 1 55 55 LEU N N 21 114.844 114.844 117.722 -2.878 17707
4260 1 11 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.113 0.250 17707
4261 1 11 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.283 -5.276 17707
4262 1 11 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.682 -0.666 17707
4263 1 11 . 1 1 55 55 LEU H H 21 7.477 7.477 8.034 -0.557 17707
4264 1 11 . 1 1 56 56 THR N N 22 111.571 111.571 116.543 -4.972 17707
4265 1 11 . 1 1 56 56 THR HA H 22 4.361 4.361 4.420 -0.059 17707
4266 1 11 . 1 1 56 56 THR CA C 22 58.212 58.212 62.233 -4.021 17707
4267 1 11 . 1 1 56 56 THR CB C 22 68.233 68.233 69.768 -1.535 17707
4268 1 11 . 1 1 56 56 THR H H 22 8.341 8.341 7.983 0.358 17707
4269 1 11 . 1 1 57 57 TYR N N 23 122.008 122.008 119.672 2.336 17707
4270 1 11 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.255 0.055 17707
4271 1 11 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.536 -2.960 17707
4272 1 11 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.405 -3.220 17707
4273 1 11 . 1 1 57 57 TYR H H 23 8.587 8.587 8.765 -0.178 17707
4274 1 11 . 1 1 58 58 ARG N N 24 114.767 114.767 116.973 -2.206 17707
4275 1 11 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.539 -0.276 17707
4276 1 11 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.346 -2.250 17707
4277 1 11 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.387 -2.983 17707
4278 1 11 . 1 1 58 58 ARG H H 24 7.262 7.262 7.707 -0.445 17707
4279 1 11 . 1 1 59 59 THR N N 25 119.267 119.267 116.639 2.628 17707
4280 1 11 . 1 1 59 59 THR HA H 25 4.015 4.015 4.708 -0.693 17707
4281 1 11 . 1 1 59 59 THR CA C 25 62.247 62.247 60.907 1.339 17707
4282 1 11 . 1 1 59 59 THR CB C 25 65.785 65.785 70.735 -4.950 17707
4283 1 11 . 1 1 59 59 THR H H 25 7.348 7.348 7.736 -0.388 17707
4284 1 11 . 1 1 60 60 SER N N 26 124.341 124.341 114.844 9.497 17707
4285 1 11 . 1 1 60 60 SER HA H 26 4.861 4.861 5.001 -0.140 17707
4286 1 11 . 1 1 60 60 SER CA C 26 52.864 52.864 54.788 -1.924 17707
4287 1 11 . 1 1 60 60 SER CB C 26 61.783 61.783 65.202 -3.419 17707
4288 1 11 . 1 1 60 60 SER H H 26 8.319 8.319 8.278 0.041 17707
4289 1 11 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.439 -0.429 17707
4290 1 11 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.189 -2.106 17707
4291 1 11 . 1 1 62 62 ASP N N 28 115.615 115.615 118.108 -2.493 17707
4292 1 11 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.454 -0.078 17707
4293 1 11 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.995 -3.314 17707
4294 1 11 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.398 -2.146 17707
4295 1 11 . 1 1 62 62 ASP H H 28 8.020 8.020 8.586 -0.566 17707
4296 1 11 . 1 1 63 63 THR N N 29 118.079 118.079 117.348 0.731 17707
4297 1 11 . 1 1 63 63 THR HA H 29 3.902 3.902 4.181 -0.279 17707
4298 1 11 . 1 1 63 63 THR CA C 29 63.729 63.729 66.311 -2.582 17707
4299 1 11 . 1 1 63 63 THR CB C 29 65.634 65.634 68.898 -3.264 17707
4300 1 11 . 1 1 63 63 THR H H 29 7.766 7.766 7.521 0.245 17707
4301 1 11 . 1 1 64 64 LEU N N 30 118.985 118.985 120.649 -1.664 17707
4302 1 11 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.250 -0.197 17707
4303 1 11 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.685 -2.707 17707
4304 1 11 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.906 -1.075 17707
4305 1 11 . 1 1 64 64 LEU H H 30 7.495 7.495 8.491 -0.996 17707
4306 1 11 . 1 1 65 65 ARG N N 31 119.245 119.245 120.313 -1.068 17707
4307 1 11 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.206 -0.562 17707
4308 1 11 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.495 -0.139 17707
4309 1 11 . 1 1 65 65 ARG H H 31 8.583 8.583 7.795 0.788 17707
4310 1 11 . 1 1 66 66 ARG N N 32 115.695 115.695 118.400 -2.705 17707
4311 1 11 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.188 -0.116 17707
4312 1 11 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.831 -2.157 17707
4313 1 11 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.599 -2.041 17707
4314 1 11 . 1 1 66 66 ARG H H 32 7.707 7.707 7.655 0.052 17707
4315 1 11 . 1 1 67 67 VAL N N 33 115.500 115.500 119.210 -3.710 17707
4316 1 11 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.916 -0.024 17707
4317 1 11 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.969 -3.313 17707
4318 1 11 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.195 -2.639 17707
4319 1 11 . 1 1 67 67 VAL H H 33 7.739 7.739 8.224 -0.485 17707
4320 1 11 . 1 1 68 68 PHE N N 34 116.290 116.290 116.248 0.042 17707
4321 1 11 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.973 -0.475 17707
4322 1 11 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.388 0.640 17707
4323 1 11 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.853 -4.661 17707
4324 1 11 . 1 1 68 68 PHE H H 34 8.253 8.253 7.711 0.542 17707
4325 1 11 . 1 1 69 69 GLU N N 35 119.333 119.333 121.849 -2.516 17707
4326 1 11 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.056 0.979 17707
4327 1 11 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.478 -4.496 17707
4328 1 11 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.468 -3.294 17707
4329 1 11 . 1 1 69 69 GLU H H 35 8.583 8.583 8.752 -0.169 17707
4330 1 11 . 1 1 70 70 LYS N N 36 118.341 118.341 118.054 0.287 17707
4331 1 11 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.132 -0.240 17707
4332 1 11 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.284 -2.825 17707
4333 1 11 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.689 -2.465 17707
4334 1 11 . 1 1 70 70 LYS H H 36 6.871 6.871 8.172 -1.301 17707
4335 1 11 . 1 1 71 71 TYR N N 37 115.014 115.014 118.667 -3.653 17707
4336 1 11 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.371 -0.064 17707
4337 1 11 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.020 -3.786 17707
4338 1 11 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.023 -2.388 17707
4339 1 11 . 1 1 71 71 TYR H H 37 7.611 7.611 7.670 -0.059 17707
4340 1 11 . 1 1 72 72 GLY N N 38 104.741 104.741 105.641 -0.900 17707
4341 1 11 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.151 -3.522 17707
4342 1 11 . 1 1 72 72 GLY H H 38 7.356 7.356 8.023 -0.667 17707
4343 1 11 . 1 1 73 73 ARG N N 39 115.783 115.783 118.650 -2.867 17707
4344 1 11 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.557 -0.189 17707
4345 1 11 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.259 -0.556 17707
4346 1 11 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.364 -4.511 17707
4347 1 11 . 1 1 73 73 ARG H H 39 7.990 7.990 8.061 -0.071 17707
4348 1 11 . 1 1 74 74 VAL N N 40 130.246 130.246 118.078 12.168 17707
4349 1 11 . 1 1 74 74 VAL HA H 40 3.699 3.699 4.031 -0.332 17707
4350 1 11 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.326 -1.843 17707
4351 1 11 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.187 -4.888 17707
4352 1 11 . 1 1 74 74 VAL H H 40 8.846 8.846 8.318 0.528 17707
4353 1 11 . 1 1 75 75 GLY N N 41 114.952 114.952 112.807 2.145 17707
4354 1 11 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.806 -1.901 17707
4355 1 11 . 1 1 75 75 GLY H H 41 8.943 8.943 8.566 0.377 17707
4356 1 11 . 1 1 76 76 ASP N N 42 115.344 115.344 118.899 -3.555 17707
4357 1 11 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.730 -0.018 17707
4358 1 11 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.588 -1.074 17707
4359 1 11 . 1 1 76 76 ASP H H 42 7.224 7.224 7.486 -0.262 17707
4360 1 11 . 1 1 77 77 VAL N N 43 122.703 122.703 122.401 0.302 17707
4361 1 11 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.423 0.300 17707
4362 1 11 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.956 -2.610 17707
4363 1 11 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.168 -0.586 17707
4364 1 11 . 1 1 77 77 VAL H H 43 7.551 7.551 8.140 -0.589 17707
4365 1 11 . 1 1 78 78 TYR N N 44 125.956 125.956 125.076 0.880 17707
4366 1 11 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.869 0.102 17707
4367 1 11 . 1 1 78 78 TYR CA C 44 53.306 53.306 56.186 -2.880 17707
4368 1 11 . 1 1 78 78 TYR H H 44 9.023 9.023 8.775 0.248 17707
4369 1 11 . 1 1 79 79 ILE N N 45 129.856 129.856 119.374 10.482 17707
4370 1 11 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.228 0.028 17707
4371 1 11 . 1 1 79 79 ILE CA C 45 55.398 55.398 56.843 -1.445 17707
4372 1 11 . 1 1 79 79 ILE CB C 45 36.314 36.314 36.685 -0.372 17707
4373 1 11 . 1 1 79 79 ILE H H 45 8.231 8.231 8.087 0.144 17707
4374 1 11 . 1 1 80 80 PRO HA H 46 3.904 3.904 3.692 0.212 17707
4375 1 11 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.018 -3.377 17707
4376 1 11 . 1 1 81 81 ARG H H 47 8.593 8.593 7.848 0.745 17707
4377 1 11 . 1 1 82 82 ASP N N 48 125.712 125.712 120.100 5.612 17707
4378 1 11 . 1 1 82 82 ASP HA H 48 4.382 4.382 3.907 0.475 17707
4379 1 11 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.665 -2.206 17707
4380 1 11 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.706 1.601 17707
4381 1 11 . 1 1 82 82 ASP H H 48 8.948 8.948 8.557 0.391 17707
4382 1 11 . 1 1 83 83 ARG N N 49 125.207 125.207 118.391 6.816 17707
4383 1 11 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.931 -0.235 17707
4384 1 11 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.057 -2.443 17707
4385 1 11 . 1 1 83 83 ARG H H 49 8.688 8.688 8.513 0.175 17707
4386 1 11 . 1 1 84 84 TYR N N 50 117.911 117.911 111.071 6.840 17707
4387 1 11 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.964 -0.370 17707
4388 1 11 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.596 0.170 17707
4389 1 11 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.643 -2.456 17707
4390 1 11 . 1 1 84 84 TYR H H 50 8.449 8.449 6.772 1.677 17707
4391 1 11 . 1 1 85 85 THR N N 51 110.450 110.450 112.387 -1.937 17707
4392 1 11 . 1 1 85 85 THR HA H 51 4.230 4.230 4.533 -0.303 17707
4393 1 11 . 1 1 85 85 THR CA C 51 59.620 59.620 61.892 -2.272 17707
4394 1 11 . 1 1 85 85 THR CB C 51 67.745 67.745 71.277 -3.532 17707
4395 1 11 . 1 1 85 85 THR H H 51 9.141 9.141 7.510 1.631 17707
4396 1 11 . 1 1 86 86 LYS N N 52 113.570 113.570 118.434 -4.864 17707
4397 1 11 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.756 0.199 17707
4398 1 11 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.722 -3.294 17707
4399 1 11 . 1 1 86 86 LYS H H 52 7.821 7.821 8.205 -0.384 17707
4400 1 11 . 1 1 87 87 GLU N N 53 118.364 118.364 120.326 -1.962 17707
4401 1 11 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.204 0.176 17707
4402 1 11 . 1 1 87 87 GLU CA C 53 52.641 52.641 55.995 -3.354 17707
4403 1 11 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.991 -1.150 17707
4404 1 11 . 1 1 87 87 GLU H H 53 7.714 7.714 7.626 0.088 17707
4405 1 11 . 1 1 88 88 SER N N 54 115.692 115.692 113.135 2.557 17707
4406 1 11 . 1 1 88 88 SER CB C 54 61.369 61.369 62.682 -1.313 17707
4407 1 11 . 1 1 88 88 SER H H 54 8.705 8.705 8.658 0.047 17707
4408 1 11 . 1 1 89 89 ARG N N 55 122.170 122.170 117.885 4.285 17707
4409 1 11 . 1 1 89 89 ARG HA H 55 4.317 4.317 3.992 0.325 17707
4410 1 11 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.224 -2.430 17707
4411 1 11 . 1 1 89 89 ARG H H 55 7.934 7.934 8.005 -0.071 17707
4412 1 11 . 1 1 90 90 GLY N N 56 106.948 106.948 104.854 2.094 17707
4413 1 11 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.446 -2.171 17707
4414 1 11 . 1 1 90 90 GLY H H 56 8.557 8.557 8.166 0.391 17707
4415 1 11 . 1 1 91 91 PHE N N 57 113.487 113.487 113.935 -0.448 17707
4416 1 11 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.991 0.601 17707
4417 1 11 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.458 -3.547 17707
4418 1 11 . 1 1 91 91 PHE CB C 57 39.778 39.778 39.995 -0.217 17707
4419 1 11 . 1 1 91 91 PHE H H 57 6.936 6.936 7.109 -0.173 17707
4420 1 11 . 1 1 92 92 ALA N N 58 117.841 117.841 121.981 -4.140 17707
4421 1 11 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.493 0.255 17707
4422 1 11 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.246 -4.711 17707
4423 1 11 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.717 2.881 17707
4424 1 11 . 1 1 92 92 ALA H H 58 8.848 8.848 8.136 0.712 17707
4425 1 11 . 1 1 93 93 PHE N N 59 115.981 115.981 127.367 -11.386 17707
4426 1 11 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.939 0.734 17707
4427 1 11 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.332 -4.470 17707
4428 1 11 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.471 -2.574 17707
4429 1 11 . 1 1 93 93 PHE H H 59 8.824 8.824 8.027 0.797 17707
4430 1 11 . 1 1 94 94 VAL N N 60 123.120 123.120 123.338 -0.218 17707
4431 1 11 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.472 -0.168 17707
4432 1 11 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.083 -0.152 17707
4433 1 11 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.735 -4.306 17707
4434 1 11 . 1 1 94 94 VAL H H 60 8.581 8.581 7.668 0.913 17707
4435 1 11 . 1 1 95 95 ARG N N 61 123.954 123.954 118.493 5.461 17707
4436 1 11 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.222 0.330 17707
4437 1 11 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.320 -3.805 17707
4438 1 11 . 1 1 95 95 ARG H H 61 8.727 8.727 8.558 0.169 17707
4439 1 11 . 1 1 96 96 PHE N N 62 121.921 121.921 119.681 2.240 17707
4440 1 11 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.710 0.193 17707
4441 1 11 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.850 -1.284 17707
4442 1 11 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.925 -3.039 17707
4443 1 11 . 1 1 96 96 PHE H H 62 9.127 9.127 8.266 0.861 17707
4444 1 11 . 1 1 97 97 HIS N N 63 120.064 120.064 115.811 4.253 17707
4445 1 11 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.820 -0.482 17707
4446 1 11 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.846 0.415 17707
4447 1 11 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.860 -4.572 17707
4448 1 11 . 1 1 97 97 HIS H H 63 7.982 7.982 8.872 -0.890 17707
4449 1 11 . 1 1 98 98 ASP N N 64 119.665 119.665 119.330 0.335 17707
4450 1 11 . 1 1 98 98 ASP HA H 64 5.059 5.059 5.080 -0.021 17707
4451 1 11 . 1 1 98 98 ASP CA C 64 50.195 50.195 52.665 -2.470 17707
4452 1 11 . 1 1 98 98 ASP CB C 64 41.098 41.098 43.694 -2.596 17707
4453 1 11 . 1 1 98 98 ASP H H 64 9.096 9.096 7.938 1.158 17707
4454 1 11 . 1 1 99 99 LYS N N 65 127.804 127.804 124.312 3.492 17707
4455 1 11 . 1 1 99 99 LYS HA H 65 3.845 3.845 4.027 -0.182 17707
4456 1 11 . 1 1 99 99 LYS CA C 65 57.396 57.396 58.947 -1.551 17707
4457 1 11 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.553 -2.307 17707
4458 1 11 . 1 1 99 99 LYS H H 65 8.784 8.784 8.769 0.015 17707
4459 1 11 . 1 1 100 100 ARG N N 66 118.451 118.451 117.278 1.173 17707
4460 1 11 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.141 -0.071 17707
4461 1 11 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.288 -3.149 17707
4462 1 11 . 1 1 100 100 ARG CB C 66 26.766 26.766 29.123 -2.357 17707
4463 1 11 . 1 1 100 100 ARG H H 66 8.600 8.600 8.151 0.449 17707
4464 1 11 . 1 1 101 101 ASP N N 67 119.627 119.627 117.341 2.286 17707
4465 1 11 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.702 -0.508 17707
4466 1 11 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.331 -2.098 17707
4467 1 11 . 1 1 101 101 ASP CB C 67 37.996 37.996 39.929 -1.933 17707
4468 1 11 . 1 1 101 101 ASP H H 67 7.089 7.089 8.605 -1.516 17707
4469 1 11 . 1 1 102 102 ALA N N 68 119.421 119.421 123.648 -4.227 17707
4470 1 11 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.694 -0.730 17707
4471 1 11 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.704 -3.001 17707
4472 1 11 . 1 1 102 102 ALA CB C 68 15.668 15.668 19.163 -3.495 17707
4473 1 11 . 1 1 102 102 ALA H H 68 6.832 6.832 7.449 -0.617 17707
4474 1 11 . 1 1 103 103 GLU N N 69 117.506 117.506 118.194 -0.688 17707
4475 1 11 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.912 -0.254 17707
4476 1 11 . 1 1 103 103 GLU CA C 69 57.162 57.162 59.003 -1.841 17707
4477 1 11 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.318 -2.893 17707
4478 1 11 . 1 1 103 103 GLU H H 69 8.011 8.011 8.564 -0.553 17707
4479 1 11 . 1 1 104 104 ASP N N 70 120.487 120.487 120.926 -0.439 17707
4480 1 11 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.432 -0.166 17707
4481 1 11 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.802 -2.314 17707
4482 1 11 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.927 -3.465 17707
4483 1 11 . 1 1 104 104 ASP H H 70 8.020 8.020 7.742 0.278 17707
4484 1 11 . 1 1 105 105 ALA N N 71 122.179 122.179 120.905 1.274 17707
4485 1 11 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.124 -0.349 17707
4486 1 11 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.475 -2.730 17707
4487 1 11 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.246 -1.038 17707
4488 1 11 . 1 1 105 105 ALA H H 71 8.118 8.118 7.237 0.881 17707
4489 1 11 . 1 1 106 106 MET N N 72 118.380 118.380 117.063 1.317 17707
4490 1 11 . 1 1 106 106 MET HA H 72 3.655 3.655 4.108 -0.453 17707
4491 1 11 . 1 1 106 106 MET CA C 72 57.188 57.188 58.614 -1.426 17707
4492 1 11 . 1 1 106 106 MET CB C 72 30.409 30.409 32.874 -2.465 17707
4493 1 11 . 1 1 106 106 MET H H 72 8.279 8.279 7.786 0.493 17707
4494 1 11 . 1 1 107 107 ASP N N 73 117.030 117.030 118.912 -1.882 17707
4495 1 11 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.553 -0.226 17707
4496 1 11 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.617 -1.558 17707
4497 1 11 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.887 -2.794 17707
4498 1 11 . 1 1 107 107 ASP H H 73 7.749 7.749 7.997 -0.248 17707
4499 1 11 . 1 1 108 108 ALA N N 74 117.995 117.995 120.144 -2.149 17707
4500 1 11 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.586 -0.462 17707
4501 1 11 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.602 -1.268 17707
4502 1 11 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.474 -2.814 17707
4503 1 11 . 1 1 108 108 ALA H H 74 7.347 7.347 7.356 -0.009 17707
4504 1 11 . 1 1 109 109 MET N N 75 112.202 112.202 116.192 -3.990 17707
4505 1 11 . 1 1 109 109 MET HA H 75 4.742 4.742 4.532 0.210 17707
4506 1 11 . 1 1 109 109 MET CA C 75 50.546 50.546 55.495 -4.949 17707
4507 1 11 . 1 1 109 109 MET H H 75 8.057 8.057 7.559 0.498 17707
4508 1 11 . 1 1 110 110 ASP N N 76 120.043 120.043 120.506 -0.463 17707
4509 1 11 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.421 -0.035 17707
4510 1 11 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.298 -1.353 17707
4511 1 11 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.337 -2.733 17707
4512 1 11 . 1 1 110 110 ASP H H 76 7.825 7.825 7.627 0.198 17707
4513 1 11 . 1 1 111 111 GLY N N 77 117.743 117.743 112.798 4.945 17707
4514 1 11 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.614 -2.598 17707
4515 1 11 . 1 1 111 111 GLY H H 77 8.636 8.636 8.116 0.520 17707
4516 1 11 . 1 1 112 112 ALA N N 78 123.755 123.755 120.629 3.126 17707
4517 1 11 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.490 -0.171 17707
4518 1 11 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.352 -2.316 17707
4519 1 11 . 1 1 112 112 ALA CB C 78 17.448 17.448 20.066 -2.618 17707
4520 1 11 . 1 1 112 112 ALA H H 78 7.909 7.909 7.929 -0.020 17707
4521 1 11 . 1 1 113 113 VAL N N 79 118.703 118.703 118.518 0.185 17707
4522 1 11 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.144 0.469 17707
4523 1 11 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.464 -2.892 17707
4524 1 11 . 1 1 113 113 VAL H H 79 8.083 8.083 7.648 0.435 17707
4525 1 11 . 1 1 114 114 LEU N N 80 129.473 129.473 118.180 11.293 17707
4526 1 11 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.618 -0.075 17707
4527 1 11 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.074 -4.132 17707
4528 1 11 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.623 -0.038 17707
4529 1 11 . 1 1 114 114 LEU H H 80 8.895 8.895 8.443 0.453 17707
4530 1 11 . 1 1 115 115 ASP N N 81 129.660 129.660 120.082 9.578 17707
4531 1 11 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.783 -0.554 17707
4532 1 11 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.392 -2.140 17707
4533 1 11 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.842 -4.569 17707
4534 1 11 . 1 1 115 115 ASP H H 81 9.428 9.428 7.792 1.636 17707
4535 1 11 . 1 1 116 116 GLY N N 82 100.557 100.557 108.784 -8.227 17707
4536 1 11 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.353 -2.473 17707
4537 1 11 . 1 1 116 116 GLY H H 82 7.978 7.978 8.131 -0.153 17707
4538 1 11 . 1 1 117 117 ARG N N 83 120.104 120.104 118.236 1.868 17707
4539 1 11 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.547 0.003 17707
4540 1 11 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.869 -4.763 17707
4541 1 11 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.521 -0.876 17707
4542 1 11 . 1 1 117 117 ARG H H 83 7.493 7.493 7.481 0.012 17707
4543 1 11 . 1 1 118 118 GLU N N 84 121.206 121.206 118.512 2.694 17707
4544 1 11 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.401 -0.098 17707
4545 1 11 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.271 -2.842 17707
4546 1 11 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.230 -5.104 17707
4547 1 11 . 1 1 118 118 GLU H H 84 8.352 8.352 8.556 -0.204 17707
4548 1 11 . 1 1 119 119 LEU N N 85 127.970 127.970 119.598 8.372 17707
4549 1 11 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.857 -0.295 17707
4550 1 11 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.999 -1.476 17707
4551 1 11 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.515 -4.704 17707
4552 1 11 . 1 1 119 119 LEU H H 85 9.349 9.349 7.730 1.619 17707
4553 1 11 . 1 1 120 120 ARG N N 86 121.001 121.001 122.858 -1.857 17707
4554 1 11 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.246 -0.072 17707
4555 1 11 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.576 -2.981 17707
4556 1 11 . 1 1 120 120 ARG CB C 86 29.692 29.692 33.008 -3.316 17707
4557 1 11 . 1 1 120 120 ARG H H 86 7.512 7.512 8.394 -0.882 17707
4558 1 11 . 1 1 121 121 VAL N N 87 125.999 125.999 124.033 1.966 17707
4559 1 11 . 1 1 121 121 VAL HA H 87 4.938 4.938 5.014 -0.076 17707
4560 1 11 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.692 -1.926 17707
4561 1 11 . 1 1 121 121 VAL H H 87 9.437 9.437 9.107 0.330 17707
4562 1 11 . 1 1 122 122 GLN N N 88 121.684 121.684 121.447 0.237 17707
4563 1 11 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.701 0.268 17707
4564 1 11 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.041 -3.142 17707
4565 1 11 . 1 1 122 122 GLN CB C 88 31.157 31.157 31.452 -0.295 17707
4566 1 11 . 1 1 122 122 GLN H H 88 8.301 8.301 8.891 -0.590 17707
4567 1 11 . 1 1 123 123 MET N N 89 121.937 121.937 119.038 2.899 17707
4568 1 11 . 1 1 123 123 MET HA H 89 4.529 4.529 4.415 0.114 17707
4569 1 11 . 1 1 123 123 MET CA C 89 53.328 53.328 54.784 -1.456 17707
4570 1 11 . 1 1 123 123 MET CB C 89 28.750 28.750 32.560 -3.811 17707
4571 1 11 . 1 1 123 123 MET H H 89 8.714 8.714 8.665 0.049 17707
4572 1 11 . 1 1 124 124 ALA N N 90 126.984 126.984 126.439 0.545 17707
4573 1 11 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.255 0.162 17707
4574 1 11 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.050 -2.247 17707
4575 1 11 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.738 -4.486 17707
4576 1 11 . 1 1 124 124 ALA H H 90 8.437 8.437 8.132 0.305 17707
4577 1 11 . 1 1 125 125 ARG H H 91 9.886 9.886 8.638 1.248 17707
4578 1 11 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.468 -2.732 17707
4579 1 11 . 1 1 128 128 ARG N N 94 120.921 120.921 119.581 1.340 17707
4580 1 11 . 1 1 128 128 ARG H H 94 8.245 8.245 8.250 -0.005 17707
4581 1 11 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.352 0.241 17707
4582 1 11 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.787 -3.798 17707
4583 1 11 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.380 -0.063 17707
4584 1 11 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.712 -3.317 17707
4585 1 11 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.616 -3.355 17707
4586 1 11 . 1 1 131 131 ASP N N 97 119.855 119.855 115.869 3.986 17707
4587 1 11 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.756 -0.264 17707
4588 1 11 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.503 -2.088 17707
4589 1 11 . 1 1 131 131 ASP CB C 97 38.553 38.553 43.148 -4.595 17707
4590 1 11 . 1 1 131 131 ASP H H 97 8.196 8.196 7.507 0.689 17707
4591 1 11 . 1 1 132 132 SER N N 98 116.150 116.150 115.648 0.502 17707
4592 1 11 . 1 1 132 132 SER HA H 98 4.286 4.286 4.399 -0.113 17707
4593 1 11 . 1 1 132 132 SER CA C 98 55.729 55.729 60.204 -4.475 17707
4594 1 11 . 1 1 132 132 SER CB C 98 61.088 61.088 63.971 -2.883 17707
4595 1 11 . 1 1 132 132 SER H H 98 8.070 8.070 8.511 -0.441 17707
4596 1 11 . 1 1 133 133 HIS N N 99 119.771 119.771 116.041 3.730 17707
4597 1 11 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.296 -4.229 17707
4598 1 11 . 1 1 133 133 HIS H H 99 8.322 8.322 8.027 0.295 17707
4599 1 12 . 1 1 36 36 SER N N 2 116.365 116.365 117.957 -1.592 17707
4600 1 12 . 1 1 36 36 SER HA H 2 4.398 4.398 4.453 -0.055 17707
4601 1 12 . 1 1 36 36 SER CA C 2 55.706 55.706 57.594 -1.888 17707
4602 1 12 . 1 1 36 36 SER CB C 2 61.260 61.260 64.382 -3.122 17707
4603 1 12 . 1 1 36 36 SER H H 2 8.112 8.112 8.292 -0.180 17707
4604 1 12 . 1 1 37 37 TYR N N 3 121.885 121.885 120.966 0.919 17707
4605 1 12 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.545 0.089 17707
4606 1 12 . 1 1 37 37 TYR CB C 3 36.183 36.183 37.484 -1.301 17707
4607 1 12 . 1 1 37 37 TYR H H 3 8.155 8.155 8.631 -0.476 17707
4608 1 12 . 1 1 38 38 GLY N N 4 109.771 109.771 107.801 1.970 17707
4609 1 12 . 1 1 38 38 GLY H H 4 8.332 8.332 7.782 0.550 17707
4610 1 12 . 1 1 39 39 ARG N N 5 121.087 121.087 116.495 4.592 17707
4611 1 12 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.689 -0.148 17707
4612 1 12 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.752 -3.557 17707
4613 1 12 . 1 1 39 39 ARG H H 5 8.224 8.224 8.095 0.129 17707
4614 1 12 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.662 -0.423 17707
4615 1 12 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.105 -3.711 17707
4616 1 12 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.765 -0.381 17707
4617 1 12 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.354 -3.782 17707
4618 1 12 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.816 -0.543 17707
4619 1 12 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.520 -2.389 17707
4620 1 12 . 1 1 42 42 PRO CB C 8 29.097 29.097 34.596 -5.499 17707
4621 1 12 . 1 1 43 43 ASP N N 9 119.118 119.118 118.266 0.852 17707
4622 1 12 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.928 -0.416 17707
4623 1 12 . 1 1 43 43 ASP CA C 9 51.541 51.541 54.162 -2.621 17707
4624 1 12 . 1 1 43 43 ASP CB C 9 37.499 37.499 42.201 -4.702 17707
4625 1 12 . 1 1 43 43 ASP H H 9 8.425 8.425 8.557 -0.132 17707
4626 1 12 . 1 1 44 44 VAL N N 10 118.278 118.278 118.829 -0.551 17707
4627 1 12 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.851 0.355 17707
4628 1 12 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.647 -5.484 17707
4629 1 12 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.501 -2.503 17707
4630 1 12 . 1 1 44 44 VAL H H 10 7.882 7.882 8.192 -0.310 17707
4631 1 12 . 1 1 45 45 GLU N N 11 123.222 123.222 119.140 4.082 17707
4632 1 12 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.286 -0.238 17707
4633 1 12 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.698 -0.851 17707
4634 1 12 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.260 -2.813 17707
4635 1 12 . 1 1 45 45 GLU H H 11 8.328 8.328 8.646 -0.318 17707
4636 1 12 . 1 1 46 46 GLY N N 12 108.993 108.993 109.354 -0.361 17707
4637 1 12 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.299 -2.600 17707
4638 1 12 . 1 1 46 46 GLY H H 12 8.361 8.361 8.259 0.102 17707
4639 1 12 . 1 1 47 47 MET N N 13 118.074 118.074 118.166 -0.092 17707
4640 1 12 . 1 1 47 47 MET HA H 13 4.584 4.584 4.901 -0.317 17707
4641 1 12 . 1 1 47 47 MET CB C 13 31.447 31.447 35.553 -4.106 17707
4642 1 12 . 1 1 47 47 MET H H 13 7.493 7.493 7.502 -0.009 17707
4643 1 12 . 1 1 48 48 THR N N 14 118.968 118.968 119.235 -0.267 17707
4644 1 12 . 1 1 48 48 THR HA H 14 4.534 4.534 4.450 0.084 17707
4645 1 12 . 1 1 48 48 THR CA C 14 60.656 60.656 63.017 -2.361 17707
4646 1 12 . 1 1 48 48 THR CB C 14 67.544 67.544 68.372 -0.828 17707
4647 1 12 . 1 1 48 48 THR H H 14 8.993 8.993 8.722 0.271 17707
4648 1 12 . 1 1 49 49 SER N N 15 123.365 123.365 123.642 -0.277 17707
4649 1 12 . 1 1 49 49 SER HA H 15 5.017 5.017 4.604 0.413 17707
4650 1 12 . 1 1 49 49 SER CB C 15 61.787 61.787 62.446 -0.659 17707
4651 1 12 . 1 1 49 49 SER H H 15 9.097 9.097 8.548 0.549 17707
4652 1 12 . 1 1 50 50 LEU N N 16 124.488 124.488 124.570 -0.082 17707
4653 1 12 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.500 0.508 17707
4654 1 12 . 1 1 50 50 LEU CA C 16 50.359 50.359 54.143 -3.784 17707
4655 1 12 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.039 -1.937 17707
4656 1 12 . 1 1 50 50 LEU H H 16 9.495 9.495 8.384 1.111 17707
4657 1 12 . 1 1 51 51 LYS N N 17 123.276 123.276 126.071 -2.795 17707
4658 1 12 . 1 1 51 51 LYS HA H 17 4.881 4.881 4.902 -0.021 17707
4659 1 12 . 1 1 51 51 LYS CA C 17 52.425 52.425 53.873 -1.448 17707
4660 1 12 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.544 -3.213 17707
4661 1 12 . 1 1 51 51 LYS H H 17 9.239 9.239 8.170 1.069 17707
4662 1 12 . 1 1 52 52 VAL N N 18 130.086 130.086 119.781 10.305 17707
4663 1 12 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.838 -0.064 17707
4664 1 12 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.906 -1.680 17707
4665 1 12 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.474 -4.552 17707
4666 1 12 . 1 1 52 52 VAL H H 18 9.136 9.136 7.659 1.477 17707
4667 1 12 . 1 1 53 53 ASP N N 19 125.621 125.621 124.393 1.228 17707
4668 1 12 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.094 0.084 17707
4669 1 12 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.481 -2.867 17707
4670 1 12 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.200 -2.653 17707
4671 1 12 . 1 1 53 53 ASP H H 19 9.312 9.312 8.522 0.790 17707
4672 1 12 . 1 1 54 54 ASN N N 20 112.496 112.496 115.591 -3.095 17707
4673 1 12 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.463 0.014 17707
4674 1 12 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.730 -2.714 17707
4675 1 12 . 1 1 54 54 ASN CB C 20 34.619 34.619 38.087 -3.467 17707
4676 1 12 . 1 1 54 54 ASN H H 20 8.438 8.438 8.695 -0.257 17707
4677 1 12 . 1 1 55 55 LEU N N 21 114.844 114.844 119.846 -5.002 17707
4678 1 12 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.253 0.110 17707
4679 1 12 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.154 -5.147 17707
4680 1 12 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.630 -0.615 17707
4681 1 12 . 1 1 55 55 LEU H H 21 7.477 7.477 7.814 -0.337 17707
4682 1 12 . 1 1 56 56 THR N N 22 111.571 111.571 118.804 -7.233 17707
4683 1 12 . 1 1 56 56 THR HA H 22 4.361 4.361 4.477 -0.116 17707
4684 1 12 . 1 1 56 56 THR CA C 22 58.212 58.212 61.924 -3.712 17707
4685 1 12 . 1 1 56 56 THR CB C 22 68.233 68.233 70.025 -1.792 17707
4686 1 12 . 1 1 56 56 THR H H 22 8.341 8.341 8.449 -0.108 17707
4687 1 12 . 1 1 57 57 TYR N N 23 122.008 122.008 120.446 1.562 17707
4688 1 12 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.278 0.032 17707
4689 1 12 . 1 1 57 57 TYR CA C 23 56.576 56.576 60.105 -3.529 17707
4690 1 12 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.355 -3.170 17707
4691 1 12 . 1 1 57 57 TYR H H 23 8.587 8.587 9.150 -0.563 17707
4692 1 12 . 1 1 58 58 ARG N N 24 114.767 114.767 115.215 -0.448 17707
4693 1 12 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.560 -0.297 17707
4694 1 12 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.214 -2.118 17707
4695 1 12 . 1 1 58 58 ARG CB C 24 27.404 27.404 29.980 -2.576 17707
4696 1 12 . 1 1 58 58 ARG H H 24 7.262 7.262 7.753 -0.491 17707
4697 1 12 . 1 1 59 59 THR N N 25 119.267 119.267 116.889 2.378 17707
4698 1 12 . 1 1 59 59 THR HA H 25 4.015 4.015 4.697 -0.682 17707
4699 1 12 . 1 1 59 59 THR CA C 25 62.247 62.247 60.995 1.252 17707
4700 1 12 . 1 1 59 59 THR CB C 25 65.785 65.785 70.965 -5.180 17707
4701 1 12 . 1 1 59 59 THR H H 25 7.348 7.348 7.723 -0.374 17707
4702 1 12 . 1 1 60 60 SER N N 26 124.341 124.341 114.638 9.703 17707
4703 1 12 . 1 1 60 60 SER HA H 26 4.861 4.861 4.961 -0.100 17707
4704 1 12 . 1 1 60 60 SER CA C 26 52.864 52.864 54.832 -1.968 17707
4705 1 12 . 1 1 60 60 SER CB C 26 61.783 61.783 65.183 -3.400 17707
4706 1 12 . 1 1 60 60 SER H H 26 8.319 8.319 8.221 0.098 17707
4707 1 12 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.369 -0.359 17707
4708 1 12 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.164 -2.081 17707
4709 1 12 . 1 1 62 62 ASP N N 28 115.615 115.615 117.657 -2.042 17707
4710 1 12 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.451 -0.075 17707
4711 1 12 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.406 -2.725 17707
4712 1 12 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.737 -2.485 17707
4713 1 12 . 1 1 62 62 ASP H H 28 8.020 8.020 8.526 -0.506 17707
4714 1 12 . 1 1 63 63 THR N N 29 118.079 118.079 117.377 0.702 17707
4715 1 12 . 1 1 63 63 THR HA H 29 3.902 3.902 4.247 -0.345 17707
4716 1 12 . 1 1 63 63 THR CA C 29 63.729 63.729 66.611 -2.882 17707
4717 1 12 . 1 1 63 63 THR CB C 29 65.634 65.634 68.953 -3.319 17707
4718 1 12 . 1 1 63 63 THR H H 29 7.766 7.766 7.396 0.370 17707
4719 1 12 . 1 1 64 64 LEU N N 30 118.985 118.985 120.930 -1.945 17707
4720 1 12 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.232 -0.179 17707
4721 1 12 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.694 -2.716 17707
4722 1 12 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.996 -1.165 17707
4723 1 12 . 1 1 64 64 LEU H H 30 7.495 7.495 8.553 -1.058 17707
4724 1 12 . 1 1 65 65 ARG N N 31 119.245 119.245 120.145 -0.900 17707
4725 1 12 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.175 -0.531 17707
4726 1 12 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.503 -0.147 17707
4727 1 12 . 1 1 65 65 ARG H H 31 8.583 8.583 7.668 0.915 17707
4728 1 12 . 1 1 66 66 ARG N N 32 115.695 115.695 119.195 -3.500 17707
4729 1 12 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.138 -0.066 17707
4730 1 12 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.043 -2.369 17707
4731 1 12 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.687 -2.129 17707
4732 1 12 . 1 1 66 66 ARG H H 32 7.707 7.707 7.679 0.028 17707
4733 1 12 . 1 1 67 67 VAL N N 33 115.500 115.500 119.128 -3.628 17707
4734 1 12 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.870 0.022 17707
4735 1 12 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.869 -3.213 17707
4736 1 12 . 1 1 67 67 VAL CB C 33 29.556 29.556 31.804 -2.248 17707
4737 1 12 . 1 1 67 67 VAL H H 33 7.739 7.739 8.440 -0.701 17707
4738 1 12 . 1 1 68 68 PHE N N 34 116.290 116.290 116.572 -0.282 17707
4739 1 12 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.917 -0.419 17707
4740 1 12 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.583 0.445 17707
4741 1 12 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.668 -4.476 17707
4742 1 12 . 1 1 68 68 PHE H H 34 8.253 8.253 7.718 0.535 17707
4743 1 12 . 1 1 69 69 GLU N N 35 119.333 119.333 121.951 -2.618 17707
4744 1 12 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.009 1.026 17707
4745 1 12 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.517 -4.535 17707
4746 1 12 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.357 -3.183 17707
4747 1 12 . 1 1 69 69 GLU H H 35 8.583 8.583 8.734 -0.151 17707
4748 1 12 . 1 1 70 70 LYS N N 36 118.341 118.341 117.841 0.500 17707
4749 1 12 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.154 -0.262 17707
4750 1 12 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.282 -2.822 17707
4751 1 12 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.748 -2.524 17707
4752 1 12 . 1 1 70 70 LYS H H 36 6.871 6.871 7.921 -1.050 17707
4753 1 12 . 1 1 71 71 TYR N N 37 115.014 115.014 119.074 -4.060 17707
4754 1 12 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.371 -0.064 17707
4755 1 12 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.081 -3.847 17707
4756 1 12 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.108 -2.473 17707
4757 1 12 . 1 1 71 71 TYR H H 37 7.611 7.611 7.741 -0.130 17707
4758 1 12 . 1 1 72 72 GLY N N 38 104.741 104.741 105.951 -1.210 17707
4759 1 12 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.397 -3.768 17707
4760 1 12 . 1 1 72 72 GLY H H 38 7.356 7.356 7.929 -0.573 17707
4761 1 12 . 1 1 73 73 ARG N N 39 115.783 115.783 118.994 -3.211 17707
4762 1 12 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.551 -0.183 17707
4763 1 12 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.056 -0.353 17707
4764 1 12 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.800 -4.948 17707
4765 1 12 . 1 1 73 73 ARG H H 39 7.990 7.990 8.009 -0.019 17707
4766 1 12 . 1 1 74 74 VAL N N 40 130.246 130.246 117.765 12.481 17707
4767 1 12 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.694 0.005 17707
4768 1 12 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.179 -1.696 17707
4769 1 12 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.992 -4.693 17707
4770 1 12 . 1 1 74 74 VAL H H 40 8.846 8.846 8.281 0.565 17707
4771 1 12 . 1 1 75 75 GLY N N 41 114.952 114.952 113.023 1.929 17707
4772 1 12 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.366 -2.461 17707
4773 1 12 . 1 1 75 75 GLY H H 41 8.943 8.943 8.670 0.273 17707
4774 1 12 . 1 1 76 76 ASP N N 42 115.344 115.344 116.535 -1.191 17707
4775 1 12 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.415 0.297 17707
4776 1 12 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.266 -0.752 17707
4777 1 12 . 1 1 76 76 ASP H H 42 7.224 7.224 7.496 -0.272 17707
4778 1 12 . 1 1 77 77 VAL N N 43 122.703 122.703 118.660 4.043 17707
4779 1 12 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.496 0.227 17707
4780 1 12 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.332 -1.985 17707
4781 1 12 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.987 -1.405 17707
4782 1 12 . 1 1 77 77 VAL H H 43 7.551 7.551 7.518 0.033 17707
4783 1 12 . 1 1 78 78 TYR N N 44 125.956 125.956 124.401 1.555 17707
4784 1 12 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.792 0.179 17707
4785 1 12 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.031 -1.725 17707
4786 1 12 . 1 1 78 78 TYR H H 44 9.023 9.023 8.151 0.872 17707
4787 1 12 . 1 1 79 79 ILE N N 45 129.856 129.856 119.716 10.140 17707
4788 1 12 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.237 0.019 17707
4789 1 12 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.888 -2.490 17707
4790 1 12 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.776 -3.462 17707
4791 1 12 . 1 1 79 79 ILE H H 45 8.231 8.231 8.174 0.057 17707
4792 1 12 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.199 -0.295 17707
4793 1 12 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.028 -3.387 17707
4794 1 12 . 1 1 81 81 ARG H H 47 8.593 8.593 8.097 0.496 17707
4795 1 12 . 1 1 82 82 ASP N N 48 125.712 125.712 117.808 7.904 17707
4796 1 12 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.704 -0.322 17707
4797 1 12 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.522 -1.063 17707
4798 1 12 . 1 1 82 82 ASP CB C 48 41.308 41.308 43.185 -1.877 17707
4799 1 12 . 1 1 82 82 ASP H H 48 8.948 8.948 7.689 1.259 17707
4800 1 12 . 1 1 83 83 ARG N N 49 125.207 125.207 122.363 2.844 17707
4801 1 12 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.012 -0.316 17707
4802 1 12 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.762 -2.148 17707
4803 1 12 . 1 1 83 83 ARG H H 49 8.688 8.688 8.608 0.080 17707
4804 1 12 . 1 1 84 84 TYR N N 50 117.911 117.911 110.920 6.991 17707
4805 1 12 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.862 -0.268 17707
4806 1 12 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.082 -0.316 17707
4807 1 12 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.488 -2.301 17707
4808 1 12 . 1 1 84 84 TYR H H 50 8.449 8.449 6.961 1.488 17707
4809 1 12 . 1 1 85 85 THR N N 51 110.450 110.450 111.384 -0.934 17707
4810 1 12 . 1 1 85 85 THR HA H 51 4.230 4.230 4.498 -0.268 17707
4811 1 12 . 1 1 85 85 THR CA C 51 59.620 59.620 61.940 -2.320 17707
4812 1 12 . 1 1 85 85 THR CB C 51 67.745 67.745 71.160 -3.415 17707
4813 1 12 . 1 1 85 85 THR H H 51 9.141 9.141 7.358 1.783 17707
4814 1 12 . 1 1 86 86 LYS N N 52 113.570 113.570 121.557 -7.987 17707
4815 1 12 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.758 0.197 17707
4816 1 12 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.739 -3.311 17707
4817 1 12 . 1 1 86 86 LYS H H 52 7.821 7.821 8.146 -0.325 17707
4818 1 12 . 1 1 87 87 GLU N N 53 118.364 118.364 114.853 3.511 17707
4819 1 12 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.392 -0.012 17707
4820 1 12 . 1 1 87 87 GLU CA C 53 52.641 52.641 55.519 -2.878 17707
4821 1 12 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.864 -2.023 17707
4822 1 12 . 1 1 87 87 GLU H H 53 7.714 7.714 7.565 0.149 17707
4823 1 12 . 1 1 88 88 SER N N 54 115.692 115.692 117.763 -2.071 17707
4824 1 12 . 1 1 88 88 SER CB C 54 61.369 61.369 63.034 -1.665 17707
4825 1 12 . 1 1 88 88 SER H H 54 8.705 8.705 8.483 0.222 17707
4826 1 12 . 1 1 89 89 ARG N N 55 122.170 122.170 118.006 4.164 17707
4827 1 12 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.071 0.246 17707
4828 1 12 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.918 -3.124 17707
4829 1 12 . 1 1 89 89 ARG H H 55 7.934 7.934 7.914 0.020 17707
4830 1 12 . 1 1 90 90 GLY N N 56 106.948 106.948 106.458 0.490 17707
4831 1 12 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.042 -1.768 17707
4832 1 12 . 1 1 90 90 GLY H H 56 8.557 8.557 8.718 -0.161 17707
4833 1 12 . 1 1 91 91 PHE N N 57 113.487 113.487 115.830 -2.343 17707
4834 1 12 . 1 1 91 91 PHE HA H 57 5.592 5.592 5.076 0.516 17707
4835 1 12 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.309 -3.398 17707
4836 1 12 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.766 -0.988 17707
4837 1 12 . 1 1 91 91 PHE H H 57 6.936 6.936 7.643 -0.707 17707
4838 1 12 . 1 1 92 92 ALA N N 58 117.841 117.841 122.041 -4.200 17707
4839 1 12 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.462 0.286 17707
4840 1 12 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.559 -5.024 17707
4841 1 12 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.669 2.929 17707
4842 1 12 . 1 1 92 92 ALA H H 58 8.848 8.848 8.297 0.551 17707
4843 1 12 . 1 1 93 93 PHE N N 59 115.981 115.981 127.546 -11.565 17707
4844 1 12 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.973 0.700 17707
4845 1 12 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.893 -4.031 17707
4846 1 12 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.011 -2.113 17707
4847 1 12 . 1 1 93 93 PHE H H 59 8.824 8.824 8.122 0.702 17707
4848 1 12 . 1 1 94 94 VAL N N 60 123.120 123.120 122.965 0.155 17707
4849 1 12 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.672 -0.368 17707
4850 1 12 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.178 -0.247 17707
4851 1 12 . 1 1 94 94 VAL CB C 60 31.429 31.429 34.246 -2.817 17707
4852 1 12 . 1 1 94 94 VAL H H 60 8.581 8.581 7.600 0.981 17707
4853 1 12 . 1 1 95 95 ARG N N 61 123.954 123.954 121.038 2.916 17707
4854 1 12 . 1 1 95 95 ARG HA H 61 5.552 5.552 4.801 0.751 17707
4855 1 12 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.858 -4.343 17707
4856 1 12 . 1 1 95 95 ARG H H 61 8.727 8.727 8.332 0.395 17707
4857 1 12 . 1 1 96 96 PHE N N 62 121.921 121.921 124.095 -2.174 17707
4858 1 12 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.559 0.344 17707
4859 1 12 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.811 -2.245 17707
4860 1 12 . 1 1 96 96 PHE CB C 62 39.886 39.886 41.800 -1.914 17707
4861 1 12 . 1 1 96 96 PHE H H 62 9.127 9.127 9.176 -0.049 17707
4862 1 12 . 1 1 97 97 HIS N N 63 120.064 120.064 114.974 5.090 17707
4863 1 12 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.797 -0.459 17707
4864 1 12 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.540 0.721 17707
4865 1 12 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.122 -4.834 17707
4866 1 12 . 1 1 97 97 HIS H H 63 7.982 7.982 8.955 -0.973 17707
4867 1 12 . 1 1 98 98 ASP N N 64 119.665 119.665 121.708 -2.043 17707
4868 1 12 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.753 0.306 17707
4869 1 12 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.468 -5.273 17707
4870 1 12 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.228 -1.131 17707
4871 1 12 . 1 1 98 98 ASP H H 64 9.096 9.096 8.477 0.619 17707
4872 1 12 . 1 1 99 99 LYS N N 65 127.804 127.804 127.212 0.592 17707
4873 1 12 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.921 -0.076 17707
4874 1 12 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.595 -2.199 17707
4875 1 12 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.373 -2.127 17707
4876 1 12 . 1 1 99 99 LYS H H 65 8.784 8.784 8.884 -0.100 17707
4877 1 12 . 1 1 100 100 ARG N N 66 118.451 118.451 117.506 0.945 17707
4878 1 12 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.117 -0.047 17707
4879 1 12 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.088 -2.949 17707
4880 1 12 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.691 -1.925 17707
4881 1 12 . 1 1 100 100 ARG H H 66 8.600 8.600 8.733 -0.133 17707
4882 1 12 . 1 1 101 101 ASP N N 67 119.627 119.627 119.044 0.583 17707
4883 1 12 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.749 -0.555 17707
4884 1 12 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.553 -2.320 17707
4885 1 12 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.556 -2.560 17707
4886 1 12 . 1 1 101 101 ASP H H 67 7.089 7.089 8.491 -1.402 17707
4887 1 12 . 1 1 102 102 ALA N N 68 119.421 119.421 124.036 -4.615 17707
4888 1 12 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.608 -0.644 17707
4889 1 12 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.068 -3.365 17707
4890 1 12 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.752 -3.084 17707
4891 1 12 . 1 1 102 102 ALA H H 68 6.832 6.832 7.945 -1.113 17707
4892 1 12 . 1 1 103 103 GLU N N 69 117.506 117.506 116.939 0.567 17707
4893 1 12 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.956 -0.298 17707
4894 1 12 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.664 -1.502 17707
4895 1 12 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.315 -2.890 17707
4896 1 12 . 1 1 103 103 GLU H H 69 8.011 8.011 8.419 -0.408 17707
4897 1 12 . 1 1 104 104 ASP N N 70 120.487 120.487 121.133 -0.646 17707
4898 1 12 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.420 -0.154 17707
4899 1 12 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.773 -2.285 17707
4900 1 12 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.942 -3.480 17707
4901 1 12 . 1 1 104 104 ASP H H 70 8.020 8.020 7.713 0.307 17707
4902 1 12 . 1 1 105 105 ALA N N 71 122.179 122.179 120.618 1.561 17707
4903 1 12 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.211 -0.436 17707
4904 1 12 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.507 -2.762 17707
4905 1 12 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.296 -1.088 17707
4906 1 12 . 1 1 105 105 ALA H H 71 8.118 8.118 7.351 0.767 17707
4907 1 12 . 1 1 106 106 MET N N 72 118.380 118.380 116.961 1.419 17707
4908 1 12 . 1 1 106 106 MET HA H 72 3.655 3.655 4.126 -0.471 17707
4909 1 12 . 1 1 106 106 MET CA C 72 57.188 57.188 58.507 -1.319 17707
4910 1 12 . 1 1 106 106 MET CB C 72 30.409 30.409 32.815 -2.406 17707
4911 1 12 . 1 1 106 106 MET H H 72 8.279 8.279 7.466 0.813 17707
4912 1 12 . 1 1 107 107 ASP N N 73 117.030 117.030 118.997 -1.967 17707
4913 1 12 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.558 -0.231 17707
4914 1 12 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.572 -1.513 17707
4915 1 12 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.888 -2.795 17707
4916 1 12 . 1 1 107 107 ASP H H 73 7.749 7.749 7.926 -0.177 17707
4917 1 12 . 1 1 108 108 ALA N N 74 117.995 117.995 119.166 -1.171 17707
4918 1 12 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.590 -0.466 17707
4919 1 12 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.688 -1.354 17707
4920 1 12 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.142 -2.483 17707
4921 1 12 . 1 1 108 108 ALA H H 74 7.347 7.347 7.496 -0.149 17707
4922 1 12 . 1 1 109 109 MET N N 75 112.202 112.202 117.170 -4.968 17707
4923 1 12 . 1 1 109 109 MET HA H 75 4.742 4.742 4.535 0.207 17707
4924 1 12 . 1 1 109 109 MET CA C 75 50.546 50.546 55.816 -5.270 17707
4925 1 12 . 1 1 109 109 MET H H 75 8.057 8.057 7.783 0.274 17707
4926 1 12 . 1 1 110 110 ASP N N 76 120.043 120.043 120.597 -0.554 17707
4927 1 12 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.409 -0.023 17707
4928 1 12 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.566 -1.621 17707
4929 1 12 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.208 -2.604 17707
4930 1 12 . 1 1 110 110 ASP H H 76 7.825 7.825 7.646 0.179 17707
4931 1 12 . 1 1 111 111 GLY N N 77 117.743 117.743 112.233 5.510 17707
4932 1 12 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.642 -2.627 17707
4933 1 12 . 1 1 111 111 GLY H H 77 8.636 8.636 8.223 0.413 17707
4934 1 12 . 1 1 112 112 ALA N N 78 123.755 123.755 123.048 0.707 17707
4935 1 12 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.490 -0.171 17707
4936 1 12 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.202 -2.166 17707
4937 1 12 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.548 -1.100 17707
4938 1 12 . 1 1 112 112 ALA H H 78 7.909 7.909 7.753 0.156 17707
4939 1 12 . 1 1 113 113 VAL N N 79 118.703 118.703 119.996 -1.293 17707
4940 1 12 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.006 0.607 17707
4941 1 12 . 1 1 113 113 VAL CB C 79 29.572 29.572 33.147 -3.575 17707
4942 1 12 . 1 1 113 113 VAL H H 79 8.083 8.083 7.443 0.640 17707
4943 1 12 . 1 1 114 114 LEU N N 80 129.473 129.473 119.158 10.315 17707
4944 1 12 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.655 -0.112 17707
4945 1 12 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.412 -4.470 17707
4946 1 12 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.853 -0.268 17707
4947 1 12 . 1 1 114 114 LEU H H 80 8.895 8.895 8.562 0.333 17707
4948 1 12 . 1 1 115 115 ASP N N 81 129.660 129.660 119.216 10.444 17707
4949 1 12 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.812 -0.583 17707
4950 1 12 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.309 -2.057 17707
4951 1 12 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.587 -4.315 17707
4952 1 12 . 1 1 115 115 ASP H H 81 9.428 9.428 7.698 1.730 17707
4953 1 12 . 1 1 116 116 GLY N N 82 100.557 100.557 107.432 -6.875 17707
4954 1 12 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.145 -2.264 17707
4955 1 12 . 1 1 116 116 GLY H H 82 7.978 7.978 8.412 -0.434 17707
4956 1 12 . 1 1 117 117 ARG N N 83 120.104 120.104 118.624 1.480 17707
4957 1 12 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.630 -0.080 17707
4958 1 12 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.154 -4.048 17707
4959 1 12 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.322 -1.677 17707
4960 1 12 . 1 1 117 117 ARG H H 83 7.493 7.493 7.433 0.060 17707
4961 1 12 . 1 1 118 118 GLU N N 84 121.206 121.206 118.629 2.577 17707
4962 1 12 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.581 -0.278 17707
4963 1 12 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.530 -3.101 17707
4964 1 12 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.465 -5.339 17707
4965 1 12 . 1 1 118 118 GLU H H 84 8.352 8.352 8.637 -0.285 17707
4966 1 12 . 1 1 119 119 LEU N N 85 127.970 127.970 118.884 9.086 17707
4967 1 12 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.811 -0.249 17707
4968 1 12 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.615 -1.092 17707
4969 1 12 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.137 -4.326 17707
4970 1 12 . 1 1 119 119 LEU H H 85 9.349 9.349 7.847 1.502 17707
4971 1 12 . 1 1 120 120 ARG N N 86 121.001 121.001 121.762 -0.761 17707
4972 1 12 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.138 0.036 17707
4973 1 12 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.817 -3.222 17707
4974 1 12 . 1 1 120 120 ARG CB C 86 29.692 29.692 31.893 -2.201 17707
4975 1 12 . 1 1 120 120 ARG H H 86 7.512 7.512 8.369 -0.857 17707
4976 1 12 . 1 1 121 121 VAL N N 87 125.999 125.999 124.768 1.231 17707
4977 1 12 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.969 -0.031 17707
4978 1 12 . 1 1 121 121 VAL CA C 87 58.766 58.766 59.761 -0.995 17707
4979 1 12 . 1 1 121 121 VAL H H 87 9.437 9.437 8.241 1.196 17707
4980 1 12 . 1 1 122 122 GLN N N 88 121.684 121.684 124.544 -2.860 17707
4981 1 12 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.705 0.264 17707
4982 1 12 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.867 -2.968 17707
4983 1 12 . 1 1 122 122 GLN CB C 88 31.157 31.157 31.741 -0.584 17707
4984 1 12 . 1 1 122 122 GLN H H 88 8.301 8.301 8.720 -0.419 17707
4985 1 12 . 1 1 123 123 MET N N 89 121.937 121.937 119.332 2.605 17707
4986 1 12 . 1 1 123 123 MET HA H 89 4.529 4.529 4.238 0.291 17707
4987 1 12 . 1 1 123 123 MET CA C 89 53.328 53.328 55.237 -1.909 17707
4988 1 12 . 1 1 123 123 MET CB C 89 28.750 28.750 32.222 -3.473 17707
4989 1 12 . 1 1 123 123 MET H H 89 8.714 8.714 8.896 -0.182 17707
4990 1 12 . 1 1 124 124 ALA N N 90 126.984 126.984 127.994 -1.010 17707
4991 1 12 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.194 0.223 17707
4992 1 12 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.607 -2.804 17707
4993 1 12 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.703 -4.451 17707
4994 1 12 . 1 1 124 124 ALA H H 90 8.437 8.437 7.977 0.460 17707
4995 1 12 . 1 1 125 125 ARG H H 91 9.886 9.886 8.668 1.218 17707
4996 1 12 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.488 -2.752 17707
4997 1 12 . 1 1 128 128 ARG N N 94 120.921 120.921 119.964 0.957 17707
4998 1 12 . 1 1 128 128 ARG H H 94 8.245 8.245 8.276 -0.031 17707
4999 1 12 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.793 -0.200 17707
5000 1 12 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.823 -2.834 17707
5001 1 12 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.442 -0.125 17707
5002 1 12 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.727 -3.332 17707
5003 1 12 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.526 -3.265 17707
5004 1 12 . 1 1 131 131 ASP N N 97 119.855 119.855 117.746 2.109 17707
5005 1 12 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.759 -0.267 17707
5006 1 12 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.071 -1.656 17707
5007 1 12 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.465 -3.912 17707
5008 1 12 . 1 1 131 131 ASP H H 97 8.196 8.196 7.637 0.559 17707
5009 1 12 . 1 1 132 132 SER N N 98 116.150 116.150 115.906 0.244 17707
5010 1 12 . 1 1 132 132 SER HA H 98 4.286 4.286 4.360 -0.074 17707
5011 1 12 . 1 1 132 132 SER CA C 98 55.729 55.729 59.865 -4.136 17707
5012 1 12 . 1 1 132 132 SER CB C 98 61.088 61.088 64.125 -3.037 17707
5013 1 12 . 1 1 132 132 SER H H 98 8.070 8.070 8.669 -0.599 17707
5014 1 12 . 1 1 133 133 HIS N N 99 119.771 119.771 116.494 3.277 17707
5015 1 12 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.159 -4.092 17707
5016 1 12 . 1 1 133 133 HIS H H 99 8.322 8.322 8.021 0.301 17707
5017 1 13 . 1 1 36 36 SER N N 2 116.365 116.365 122.446 -6.081 17707
5018 1 13 . 1 1 36 36 SER HA H 2 4.398 4.398 4.308 0.090 17707
5019 1 13 . 1 1 36 36 SER CA C 2 55.706 55.706 59.191 -3.485 17707
5020 1 13 . 1 1 36 36 SER CB C 2 61.260 61.260 63.816 -2.556 17707
5021 1 13 . 1 1 36 36 SER H H 2 8.112 8.112 8.478 -0.366 17707
5022 1 13 . 1 1 37 37 TYR N N 3 121.885 121.885 116.076 5.809 17707
5023 1 13 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.145 0.489 17707
5024 1 13 . 1 1 37 37 TYR CB C 3 36.183 36.183 36.346 -0.163 17707
5025 1 13 . 1 1 37 37 TYR H H 3 8.155 8.155 8.329 -0.174 17707
5026 1 13 . 1 1 38 38 GLY N N 4 109.771 109.771 107.687 2.084 17707
5027 1 13 . 1 1 38 38 GLY H H 4 8.332 8.332 7.838 0.494 17707
5028 1 13 . 1 1 39 39 ARG N N 5 121.087 121.087 119.746 1.341 17707
5029 1 13 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.009 0.532 17707
5030 1 13 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.026 -4.831 17707
5031 1 13 . 1 1 39 39 ARG H H 5 8.224 8.224 7.784 0.440 17707
5032 1 13 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.578 -0.339 17707
5033 1 13 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.754 -3.360 17707
5034 1 13 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.676 -0.292 17707
5035 1 13 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.120 -3.548 17707
5036 1 13 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.658 -0.385 17707
5037 1 13 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.490 -2.359 17707
5038 1 13 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.304 -4.207 17707
5039 1 13 . 1 1 43 43 ASP N N 9 119.118 119.118 116.118 3.000 17707
5040 1 13 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.796 -0.284 17707
5041 1 13 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.878 -2.337 17707
5042 1 13 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.692 -3.193 17707
5043 1 13 . 1 1 43 43 ASP H H 9 8.425 8.425 8.439 -0.014 17707
5044 1 13 . 1 1 44 44 VAL N N 10 118.278 118.278 116.080 2.198 17707
5045 1 13 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.908 0.298 17707
5046 1 13 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.547 -5.384 17707
5047 1 13 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.891 -2.893 17707
5048 1 13 . 1 1 44 44 VAL H H 10 7.882 7.882 7.950 -0.068 17707
5049 1 13 . 1 1 45 45 GLU N N 11 123.222 123.222 120.141 3.081 17707
5050 1 13 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.209 -0.161 17707
5051 1 13 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.027 -1.180 17707
5052 1 13 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.709 -2.262 17707
5053 1 13 . 1 1 45 45 GLU H H 11 8.328 8.328 8.506 -0.178 17707
5054 1 13 . 1 1 46 46 GLY N N 12 108.993 108.993 108.466 0.527 17707
5055 1 13 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.273 -2.574 17707
5056 1 13 . 1 1 46 46 GLY H H 12 8.361 8.361 8.112 0.249 17707
5057 1 13 . 1 1 47 47 MET N N 13 118.074 118.074 117.416 0.658 17707
5058 1 13 . 1 1 47 47 MET HA H 13 4.584 4.584 4.942 -0.358 17707
5059 1 13 . 1 1 47 47 MET CB C 13 31.447 31.447 34.185 -2.738 17707
5060 1 13 . 1 1 47 47 MET H H 13 7.493 7.493 7.493 0.000 17707
5061 1 13 . 1 1 48 48 THR N N 14 118.968 118.968 117.197 1.771 17707
5062 1 13 . 1 1 48 48 THR HA H 14 4.534 4.534 4.107 0.427 17707
5063 1 13 . 1 1 48 48 THR CA C 14 60.656 60.656 65.297 -4.641 17707
5064 1 13 . 1 1 48 48 THR CB C 14 67.544 67.544 68.908 -1.364 17707
5065 1 13 . 1 1 48 48 THR H H 14 8.993 8.993 8.608 0.385 17707
5066 1 13 . 1 1 49 49 SER N N 15 123.365 123.365 114.918 8.447 17707
5067 1 13 . 1 1 49 49 SER HA H 15 5.017 5.017 4.118 0.899 17707
5068 1 13 . 1 1 49 49 SER CB C 15 61.787 61.787 61.734 0.053 17707
5069 1 13 . 1 1 49 49 SER H H 15 9.097 9.097 7.849 1.248 17707
5070 1 13 . 1 1 50 50 LEU N N 16 124.488 124.488 121.550 2.938 17707
5071 1 13 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.086 0.922 17707
5072 1 13 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.070 -5.711 17707
5073 1 13 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.303 -2.201 17707
5074 1 13 . 1 1 50 50 LEU H H 16 9.495 9.495 7.448 2.047 17707
5075 1 13 . 1 1 51 51 LYS N N 17 123.276 123.276 117.450 5.826 17707
5076 1 13 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.274 -0.393 17707
5077 1 13 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.189 -1.764 17707
5078 1 13 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.308 -3.977 17707
5079 1 13 . 1 1 51 51 LYS H H 17 9.239 9.239 8.825 0.414 17707
5080 1 13 . 1 1 52 52 VAL N N 18 130.086 130.086 119.635 10.451 17707
5081 1 13 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.772 0.002 17707
5082 1 13 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.950 -2.724 17707
5083 1 13 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.567 -4.645 17707
5084 1 13 . 1 1 52 52 VAL H H 18 9.136 9.136 7.651 1.485 17707
5085 1 13 . 1 1 53 53 ASP N N 19 125.621 125.621 122.826 2.795 17707
5086 1 13 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.025 0.153 17707
5087 1 13 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.953 -2.339 17707
5088 1 13 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.174 -2.627 17707
5089 1 13 . 1 1 53 53 ASP H H 19 9.312 9.312 9.043 0.269 17707
5090 1 13 . 1 1 54 54 ASN N N 20 112.496 112.496 114.959 -2.463 17707
5091 1 13 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.494 -0.017 17707
5092 1 13 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.800 -2.784 17707
5093 1 13 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.623 -3.004 17707
5094 1 13 . 1 1 54 54 ASN H H 20 8.438 8.438 8.722 -0.284 17707
5095 1 13 . 1 1 55 55 LEU N N 21 114.844 114.844 118.820 -3.976 17707
5096 1 13 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.179 0.184 17707
5097 1 13 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.567 -4.560 17707
5098 1 13 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.052 -0.036 17707
5099 1 13 . 1 1 55 55 LEU H H 21 7.477 7.477 7.789 -0.312 17707
5100 1 13 . 1 1 56 56 THR N N 22 111.571 111.571 116.858 -5.287 17707
5101 1 13 . 1 1 56 56 THR HA H 22 4.361 4.361 4.408 -0.047 17707
5102 1 13 . 1 1 56 56 THR CA C 22 58.212 58.212 61.530 -3.318 17707
5103 1 13 . 1 1 56 56 THR CB C 22 68.233 68.233 70.185 -1.952 17707
5104 1 13 . 1 1 56 56 THR H H 22 8.341 8.341 7.783 0.558 17707
5105 1 13 . 1 1 57 57 TYR N N 23 122.008 122.008 119.906 2.102 17707
5106 1 13 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.350 -0.040 17707
5107 1 13 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.627 -3.050 17707
5108 1 13 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.295 -3.110 17707
5109 1 13 . 1 1 57 57 TYR H H 23 8.587 8.587 8.905 -0.318 17707
5110 1 13 . 1 1 58 58 ARG N N 24 114.767 114.767 114.925 -0.158 17707
5111 1 13 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.597 -0.334 17707
5112 1 13 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.601 -2.505 17707
5113 1 13 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.432 -3.028 17707
5114 1 13 . 1 1 58 58 ARG H H 24 7.262 7.262 7.754 -0.492 17707
5115 1 13 . 1 1 59 59 THR N N 25 119.267 119.267 116.902 2.365 17707
5116 1 13 . 1 1 59 59 THR HA H 25 4.015 4.015 4.666 -0.651 17707
5117 1 13 . 1 1 59 59 THR CA C 25 62.247 62.247 61.150 1.097 17707
5118 1 13 . 1 1 59 59 THR CB C 25 65.785 65.785 71.366 -5.581 17707
5119 1 13 . 1 1 59 59 THR H H 25 7.348 7.348 7.668 -0.320 17707
5120 1 13 . 1 1 60 60 SER N N 26 124.341 124.341 114.937 9.404 17707
5121 1 13 . 1 1 60 60 SER HA H 26 4.861 4.861 4.972 -0.111 17707
5122 1 13 . 1 1 60 60 SER CA C 26 52.864 52.864 55.498 -2.634 17707
5123 1 13 . 1 1 60 60 SER CB C 26 61.783 61.783 64.453 -2.670 17707
5124 1 13 . 1 1 60 60 SER H H 26 8.319 8.319 8.082 0.237 17707
5125 1 13 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.375 -0.365 17707
5126 1 13 . 1 1 61 61 PRO CA C 27 63.083 63.083 64.804 -1.721 17707
5127 1 13 . 1 1 62 62 ASP N N 28 115.615 115.615 118.061 -2.446 17707
5128 1 13 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.456 -0.080 17707
5129 1 13 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.997 -3.316 17707
5130 1 13 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.401 -2.149 17707
5131 1 13 . 1 1 62 62 ASP H H 28 8.020 8.020 8.556 -0.536 17707
5132 1 13 . 1 1 63 63 THR N N 29 118.079 118.079 117.374 0.705 17707
5133 1 13 . 1 1 63 63 THR HA H 29 3.902 3.902 4.226 -0.324 17707
5134 1 13 . 1 1 63 63 THR CA C 29 63.729 63.729 66.275 -2.546 17707
5135 1 13 . 1 1 63 63 THR CB C 29 65.634 65.634 68.904 -3.270 17707
5136 1 13 . 1 1 63 63 THR H H 29 7.766 7.766 7.500 0.266 17707
5137 1 13 . 1 1 64 64 LEU N N 30 118.985 118.985 120.254 -1.269 17707
5138 1 13 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.241 -0.188 17707
5139 1 13 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.573 -2.595 17707
5140 1 13 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.980 -1.149 17707
5141 1 13 . 1 1 64 64 LEU H H 30 7.495 7.495 8.315 -0.820 17707
5142 1 13 . 1 1 65 65 ARG N N 31 119.245 119.245 120.403 -1.158 17707
5143 1 13 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.214 -0.570 17707
5144 1 13 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.549 -0.193 17707
5145 1 13 . 1 1 65 65 ARG H H 31 8.583 8.583 7.855 0.728 17707
5146 1 13 . 1 1 66 66 ARG N N 32 115.695 115.695 118.172 -2.477 17707
5147 1 13 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.255 -0.183 17707
5148 1 13 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.245 -1.571 17707
5149 1 13 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.174 -1.616 17707
5150 1 13 . 1 1 66 66 ARG H H 32 7.707 7.707 7.727 -0.020 17707
5151 1 13 . 1 1 67 67 VAL N N 33 115.500 115.500 117.991 -2.491 17707
5152 1 13 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.045 -0.153 17707
5153 1 13 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.424 -2.768 17707
5154 1 13 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.408 -2.852 17707
5155 1 13 . 1 1 67 67 VAL H H 33 7.739 7.739 8.027 -0.288 17707
5156 1 13 . 1 1 68 68 PHE N N 34 116.290 116.290 115.815 0.475 17707
5157 1 13 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.926 -0.428 17707
5158 1 13 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.263 0.765 17707
5159 1 13 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.847 -4.655 17707
5160 1 13 . 1 1 68 68 PHE H H 34 8.253 8.253 7.625 0.628 17707
5161 1 13 . 1 1 69 69 GLU N N 35 119.333 119.333 121.598 -2.265 17707
5162 1 13 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.027 1.008 17707
5163 1 13 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.501 -4.519 17707
5164 1 13 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.586 -3.412 17707
5165 1 13 . 1 1 69 69 GLU H H 35 8.583 8.583 8.691 -0.108 17707
5166 1 13 . 1 1 70 70 LYS N N 36 118.341 118.341 117.688 0.653 17707
5167 1 13 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.121 -0.229 17707
5168 1 13 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.210 -2.751 17707
5169 1 13 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.544 -2.320 17707
5170 1 13 . 1 1 70 70 LYS H H 36 6.871 6.871 8.405 -1.534 17707
5171 1 13 . 1 1 71 71 TYR N N 37 115.014 115.014 118.873 -3.859 17707
5172 1 13 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.350 -0.043 17707
5173 1 13 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.048 -3.814 17707
5174 1 13 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.019 -2.384 17707
5175 1 13 . 1 1 71 71 TYR H H 37 7.611 7.611 7.676 -0.065 17707
5176 1 13 . 1 1 72 72 GLY N N 38 104.741 104.741 105.731 -0.990 17707
5177 1 13 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.376 -3.747 17707
5178 1 13 . 1 1 72 72 GLY H H 38 7.356 7.356 7.927 -0.571 17707
5179 1 13 . 1 1 73 73 ARG N N 39 115.783 115.783 119.035 -3.252 17707
5180 1 13 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.572 -0.204 17707
5181 1 13 . 1 1 73 73 ARG CA C 39 54.703 54.703 54.920 -0.217 17707
5182 1 13 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.869 -5.017 17707
5183 1 13 . 1 1 73 73 ARG H H 39 7.990 7.990 8.008 -0.018 17707
5184 1 13 . 1 1 74 74 VAL N N 40 130.246 130.246 118.488 11.758 17707
5185 1 13 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.656 0.043 17707
5186 1 13 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.319 -1.836 17707
5187 1 13 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.663 -4.364 17707
5188 1 13 . 1 1 74 74 VAL H H 40 8.846 8.846 8.296 0.550 17707
5189 1 13 . 1 1 75 75 GLY N N 41 114.952 114.952 113.147 1.805 17707
5190 1 13 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.793 -1.888 17707
5191 1 13 . 1 1 75 75 GLY H H 41 8.943 8.943 8.533 0.410 17707
5192 1 13 . 1 1 76 76 ASP N N 42 115.344 115.344 118.154 -2.810 17707
5193 1 13 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.826 -0.114 17707
5194 1 13 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.549 -1.035 17707
5195 1 13 . 1 1 76 76 ASP H H 42 7.224 7.224 7.534 -0.310 17707
5196 1 13 . 1 1 77 77 VAL N N 43 122.703 122.703 122.256 0.447 17707
5197 1 13 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.354 0.369 17707
5198 1 13 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.474 -2.127 17707
5199 1 13 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.279 -0.697 17707
5200 1 13 . 1 1 77 77 VAL H H 43 7.551 7.551 8.536 -0.985 17707
5201 1 13 . 1 1 78 78 TYR N N 44 125.956 125.956 129.436 -3.480 17707
5202 1 13 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.708 0.263 17707
5203 1 13 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.372 -4.066 17707
5204 1 13 . 1 1 78 78 TYR H H 44 9.023 9.023 8.195 0.828 17707
5205 1 13 . 1 1 79 79 ILE N N 45 129.856 129.856 121.111 8.745 17707
5206 1 13 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.346 -0.090 17707
5207 1 13 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.837 -2.439 17707
5208 1 13 . 1 1 79 79 ILE CB C 45 36.314 36.314 40.861 -4.547 17707
5209 1 13 . 1 1 79 79 ILE H H 45 8.231 8.231 7.655 0.576 17707
5210 1 13 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.320 -0.416 17707
5211 1 13 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.008 -2.367 17707
5212 1 13 . 1 1 81 81 ARG H H 47 8.593 8.593 7.654 0.939 17707
5213 1 13 . 1 1 82 82 ASP N N 48 125.712 125.712 121.028 4.684 17707
5214 1 13 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.203 0.179 17707
5215 1 13 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.566 -3.107 17707
5216 1 13 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.298 1.010 17707
5217 1 13 . 1 1 82 82 ASP H H 48 8.948 8.948 8.337 0.611 17707
5218 1 13 . 1 1 83 83 ARG N N 49 125.207 125.207 118.572 6.635 17707
5219 1 13 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.275 -0.579 17707
5220 1 13 . 1 1 83 83 ARG CA C 49 55.614 55.614 56.898 -1.284 17707
5221 1 13 . 1 1 83 83 ARG H H 49 8.688 8.688 8.544 0.144 17707
5222 1 13 . 1 1 84 84 TYR N N 50 117.911 117.911 114.287 3.624 17707
5223 1 13 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.882 -0.288 17707
5224 1 13 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.103 -0.337 17707
5225 1 13 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.903 -2.716 17707
5226 1 13 . 1 1 84 84 TYR H H 50 8.449 8.449 7.786 0.663 17707
5227 1 13 . 1 1 85 85 THR N N 51 110.450 110.450 109.749 0.701 17707
5228 1 13 . 1 1 85 85 THR HA H 51 4.230 4.230 4.179 0.051 17707
5229 1 13 . 1 1 85 85 THR CA C 51 59.620 59.620 60.673 -1.053 17707
5230 1 13 . 1 1 85 85 THR CB C 51 67.745 67.745 70.191 -2.446 17707
5231 1 13 . 1 1 85 85 THR H H 51 9.141 9.141 7.366 1.775 17707
5232 1 13 . 1 1 86 86 LYS N N 52 113.570 113.570 119.083 -5.513 17707
5233 1 13 . 1 1 86 86 LYS HA H 52 3.955 3.955 4.216 -0.261 17707
5234 1 13 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.651 -3.223 17707
5235 1 13 . 1 1 86 86 LYS H H 52 7.821 7.821 8.196 -0.375 17707
5236 1 13 . 1 1 87 87 GLU N N 53 118.364 118.364 116.698 1.666 17707
5237 1 13 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.509 -0.129 17707
5238 1 13 . 1 1 87 87 GLU CA C 53 52.641 52.641 54.511 -1.870 17707
5239 1 13 . 1 1 87 87 GLU CB C 53 28.841 28.841 33.023 -4.182 17707
5240 1 13 . 1 1 87 87 GLU H H 53 7.714 7.714 7.486 0.229 17707
5241 1 13 . 1 1 88 88 SER N N 54 115.692 115.692 113.883 1.809 17707
5242 1 13 . 1 1 88 88 SER CB C 54 61.369 61.369 64.591 -3.222 17707
5243 1 13 . 1 1 88 88 SER H H 54 8.705 8.705 8.376 0.329 17707
5244 1 13 . 1 1 89 89 ARG N N 55 122.170 122.170 120.140 2.030 17707
5245 1 13 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.451 -0.134 17707
5246 1 13 . 1 1 89 89 ARG CA C 55 53.794 53.794 54.809 -1.014 17707
5247 1 13 . 1 1 89 89 ARG H H 55 7.934 7.934 8.431 -0.497 17707
5248 1 13 . 1 1 90 90 GLY N N 56 106.948 106.948 109.230 -2.282 17707
5249 1 13 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.971 -2.696 17707
5250 1 13 . 1 1 90 90 GLY H H 56 8.557 8.557 7.803 0.754 17707
5251 1 13 . 1 1 91 91 PHE N N 57 113.487 113.487 112.707 0.780 17707
5252 1 13 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.987 0.605 17707
5253 1 13 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.620 -2.709 17707
5254 1 13 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.932 -1.154 17707
5255 1 13 . 1 1 91 91 PHE H H 57 6.936 6.936 6.864 0.072 17707
5256 1 13 . 1 1 92 92 ALA N N 58 117.841 117.841 122.518 -4.677 17707
5257 1 13 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.666 0.082 17707
5258 1 13 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.283 -4.748 17707
5259 1 13 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.909 2.689 17707
5260 1 13 . 1 1 92 92 ALA H H 58 8.848 8.848 8.339 0.509 17707
5261 1 13 . 1 1 93 93 PHE N N 59 115.981 115.981 128.178 -12.197 17707
5262 1 13 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.894 0.779 17707
5263 1 13 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.595 -3.733 17707
5264 1 13 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.402 -1.504 17707
5265 1 13 . 1 1 93 93 PHE H H 59 8.824 8.824 8.350 0.474 17707
5266 1 13 . 1 1 94 94 VAL N N 60 123.120 123.120 128.039 -4.919 17707
5267 1 13 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.126 0.178 17707
5268 1 13 . 1 1 94 94 VAL CA C 60 58.931 58.931 62.354 -3.423 17707
5269 1 13 . 1 1 94 94 VAL CB C 60 31.429 31.429 32.846 -1.417 17707
5270 1 13 . 1 1 94 94 VAL H H 60 8.581 8.581 7.933 0.648 17707
5271 1 13 . 1 1 95 95 ARG N N 61 123.954 123.954 121.446 2.508 17707
5272 1 13 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.137 0.415 17707
5273 1 13 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.453 -3.938 17707
5274 1 13 . 1 1 95 95 ARG H H 61 8.727 8.727 8.812 -0.085 17707
5275 1 13 . 1 1 96 96 PHE N N 62 121.921 121.921 122.915 -0.994 17707
5276 1 13 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.627 0.276 17707
5277 1 13 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.026 -1.460 17707
5278 1 13 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.752 -2.866 17707
5279 1 13 . 1 1 96 96 PHE H H 62 9.127 9.127 8.281 0.846 17707
5280 1 13 . 1 1 97 97 HIS N N 63 120.064 120.064 114.694 5.370 17707
5281 1 13 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.906 -0.568 17707
5282 1 13 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.800 1.461 17707
5283 1 13 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.052 -4.764 17707
5284 1 13 . 1 1 97 97 HIS H H 63 7.982 7.982 8.911 -0.929 17707
5285 1 13 . 1 1 98 98 ASP N N 64 119.665 119.665 122.240 -2.575 17707
5286 1 13 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.797 0.262 17707
5287 1 13 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.294 -5.099 17707
5288 1 13 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.748 -0.650 17707
5289 1 13 . 1 1 98 98 ASP H H 64 9.096 9.096 8.502 0.594 17707
5290 1 13 . 1 1 99 99 LYS N N 65 127.804 127.804 127.616 0.188 17707
5291 1 13 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.918 -0.073 17707
5292 1 13 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.462 -2.066 17707
5293 1 13 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.395 -2.148 17707
5294 1 13 . 1 1 99 99 LYS H H 65 8.784 8.784 8.870 -0.086 17707
5295 1 13 . 1 1 100 100 ARG N N 66 118.451 118.451 117.472 0.979 17707
5296 1 13 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.125 -0.055 17707
5297 1 13 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.096 -2.957 17707
5298 1 13 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.651 -1.885 17707
5299 1 13 . 1 1 100 100 ARG H H 66 8.600 8.600 8.737 -0.137 17707
5300 1 13 . 1 1 101 101 ASP N N 67 119.627 119.627 119.316 0.311 17707
5301 1 13 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.722 -0.528 17707
5302 1 13 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.779 -2.546 17707
5303 1 13 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.517 -2.521 17707
5304 1 13 . 1 1 101 101 ASP H H 67 7.089 7.089 8.501 -1.412 17707
5305 1 13 . 1 1 102 102 ALA N N 68 119.421 119.421 123.752 -4.331 17707
5306 1 13 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.622 -0.658 17707
5307 1 13 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.000 -3.297 17707
5308 1 13 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.775 -3.107 17707
5309 1 13 . 1 1 102 102 ALA H H 68 6.832 6.832 7.898 -1.066 17707
5310 1 13 . 1 1 103 103 GLU N N 69 117.506 117.506 117.645 -0.139 17707
5311 1 13 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.927 -0.269 17707
5312 1 13 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.897 -1.735 17707
5313 1 13 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.385 -2.960 17707
5314 1 13 . 1 1 103 103 GLU H H 69 8.011 8.011 8.586 -0.575 17707
5315 1 13 . 1 1 104 104 ASP N N 70 120.487 120.487 120.525 -0.038 17707
5316 1 13 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.418 -0.152 17707
5317 1 13 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.862 -2.374 17707
5318 1 13 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.056 -3.594 17707
5319 1 13 . 1 1 104 104 ASP H H 70 8.020 8.020 7.637 0.383 17707
5320 1 13 . 1 1 105 105 ALA N N 71 122.179 122.179 120.482 1.697 17707
5321 1 13 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.243 -0.468 17707
5322 1 13 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.490 -2.745 17707
5323 1 13 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.462 -1.254 17707
5324 1 13 . 1 1 105 105 ALA H H 71 8.118 8.118 7.289 0.829 17707
5325 1 13 . 1 1 106 106 MET N N 72 118.380 118.380 115.466 2.914 17707
5326 1 13 . 1 1 106 106 MET HA H 72 3.655 3.655 4.190 -0.535 17707
5327 1 13 . 1 1 106 106 MET CA C 72 57.188 57.188 58.489 -1.302 17707
5328 1 13 . 1 1 106 106 MET CB C 72 30.409 30.409 32.795 -2.386 17707
5329 1 13 . 1 1 106 106 MET H H 72 8.279 8.279 7.500 0.779 17707
5330 1 13 . 1 1 107 107 ASP N N 73 117.030 117.030 119.790 -2.760 17707
5331 1 13 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.535 -0.208 17707
5332 1 13 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.573 -1.514 17707
5333 1 13 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.906 -2.812 17707
5334 1 13 . 1 1 107 107 ASP H H 73 7.749 7.749 7.777 -0.028 17707
5335 1 13 . 1 1 108 108 ALA N N 74 117.995 117.995 119.819 -1.824 17707
5336 1 13 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.573 -0.449 17707
5337 1 13 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.647 -1.312 17707
5338 1 13 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.557 -2.898 17707
5339 1 13 . 1 1 108 108 ALA H H 74 7.347 7.347 7.279 0.068 17707
5340 1 13 . 1 1 109 109 MET N N 75 112.202 112.202 116.344 -4.142 17707
5341 1 13 . 1 1 109 109 MET HA H 75 4.742 4.742 4.523 0.219 17707
5342 1 13 . 1 1 109 109 MET CA C 75 50.546 50.546 55.279 -4.733 17707
5343 1 13 . 1 1 109 109 MET H H 75 8.057 8.057 7.554 0.503 17707
5344 1 13 . 1 1 110 110 ASP N N 76 120.043 120.043 121.512 -1.469 17707
5345 1 13 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.474 -0.088 17707
5346 1 13 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.313 -1.368 17707
5347 1 13 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.017 -2.413 17707
5348 1 13 . 1 1 110 110 ASP H H 76 7.825 7.825 7.550 0.275 17707
5349 1 13 . 1 1 111 111 GLY N N 77 117.743 117.743 112.297 5.446 17707
5350 1 13 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.636 -2.620 17707
5351 1 13 . 1 1 111 111 GLY H H 77 8.636 8.636 7.970 0.666 17707
5352 1 13 . 1 1 112 112 ALA N N 78 123.755 123.755 122.302 1.453 17707
5353 1 13 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.411 -0.092 17707
5354 1 13 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.425 -2.389 17707
5355 1 13 . 1 1 112 112 ALA CB C 78 17.448 17.448 17.733 -0.285 17707
5356 1 13 . 1 1 112 112 ALA H H 78 7.909 7.909 7.904 0.005 17707
5357 1 13 . 1 1 113 113 VAL N N 79 118.703 118.703 119.878 -1.175 17707
5358 1 13 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.011 0.602 17707
5359 1 13 . 1 1 113 113 VAL CB C 79 29.572 29.572 33.139 -3.567 17707
5360 1 13 . 1 1 113 113 VAL H H 79 8.083 8.083 7.616 0.467 17707
5361 1 13 . 1 1 114 114 LEU N N 80 129.473 129.473 119.327 10.146 17707
5362 1 13 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.665 -0.122 17707
5363 1 13 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.075 -4.133 17707
5364 1 13 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.960 -0.375 17707
5365 1 13 . 1 1 114 114 LEU H H 80 8.895 8.895 8.471 0.424 17707
5366 1 13 . 1 1 115 115 ASP N N 81 129.660 129.660 119.589 10.071 17707
5367 1 13 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.828 -0.599 17707
5368 1 13 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.298 -2.046 17707
5369 1 13 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.680 -4.408 17707
5370 1 13 . 1 1 115 115 ASP H H 81 9.428 9.428 7.754 1.674 17707
5371 1 13 . 1 1 116 116 GLY N N 82 100.557 100.557 107.306 -6.749 17707
5372 1 13 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.168 -2.287 17707
5373 1 13 . 1 1 116 116 GLY H H 82 7.978 7.978 8.413 -0.435 17707
5374 1 13 . 1 1 117 117 ARG N N 83 120.104 120.104 118.789 1.315 17707
5375 1 13 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.601 -0.051 17707
5376 1 13 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.358 -4.253 17707
5377 1 13 . 1 1 117 117 ARG CB C 83 30.645 30.645 32.336 -1.691 17707
5378 1 13 . 1 1 117 117 ARG H H 83 7.493 7.493 7.502 -0.009 17707
5379 1 13 . 1 1 118 118 GLU N N 84 121.206 121.206 118.756 2.450 17707
5380 1 13 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.554 -0.251 17707
5381 1 13 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.449 -3.020 17707
5382 1 13 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.486 -5.360 17707
5383 1 13 . 1 1 118 118 GLU H H 84 8.352 8.352 8.611 -0.259 17707
5384 1 13 . 1 1 119 119 LEU N N 85 127.970 127.970 118.236 9.734 17707
5385 1 13 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.883 -0.321 17707
5386 1 13 . 1 1 119 119 LEU CA C 85 52.523 52.523 54.170 -1.647 17707
5387 1 13 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.813 -5.002 17707
5388 1 13 . 1 1 119 119 LEU H H 85 9.349 9.349 7.733 1.616 17707
5389 1 13 . 1 1 120 120 ARG N N 86 121.001 121.001 120.283 0.718 17707
5390 1 13 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.291 -0.117 17707
5391 1 13 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.724 -3.129 17707
5392 1 13 . 1 1 120 120 ARG CB C 86 29.692 29.692 33.361 -3.669 17707
5393 1 13 . 1 1 120 120 ARG H H 86 7.512 7.512 8.390 -0.878 17707
5394 1 13 . 1 1 121 121 VAL N N 87 125.999 125.999 123.509 2.490 17707
5395 1 13 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.862 0.076 17707
5396 1 13 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.853 -2.087 17707
5397 1 13 . 1 1 121 121 VAL H H 87 9.437 9.437 9.210 0.227 17707
5398 1 13 . 1 1 122 122 GLN N N 88 121.684 121.684 122.352 -0.668 17707
5399 1 13 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.580 0.389 17707
5400 1 13 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.781 -2.882 17707
5401 1 13 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.785 -2.628 17707
5402 1 13 . 1 1 122 122 GLN H H 88 8.301 8.301 8.472 -0.171 17707
5403 1 13 . 1 1 123 123 MET N N 89 121.937 121.937 119.889 2.048 17707
5404 1 13 . 1 1 123 123 MET HA H 89 4.529 4.529 4.343 0.186 17707
5405 1 13 . 1 1 123 123 MET CA C 89 53.328 53.328 54.899 -1.571 17707
5406 1 13 . 1 1 123 123 MET CB C 89 28.750 28.750 32.575 -3.825 17707
5407 1 13 . 1 1 123 123 MET H H 89 8.714 8.714 8.714 -0.000 17707
5408 1 13 . 1 1 124 124 ALA N N 90 126.984 126.984 126.878 0.106 17707
5409 1 13 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.325 0.092 17707
5410 1 13 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.153 -2.350 17707
5411 1 13 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.971 -4.720 17707
5412 1 13 . 1 1 124 124 ALA H H 90 8.437 8.437 8.118 0.319 17707
5413 1 13 . 1 1 125 125 ARG H H 91 9.886 9.886 8.499 1.387 17707
5414 1 13 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.313 -2.577 17707
5415 1 13 . 1 1 128 128 ARG N N 94 120.921 120.921 118.917 2.004 17707
5416 1 13 . 1 1 128 128 ARG H H 94 8.245 8.245 8.149 0.096 17707
5417 1 13 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.444 0.149 17707
5418 1 13 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.322 -3.333 17707
5419 1 13 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.326 -0.009 17707
5420 1 13 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.048 -3.653 17707
5421 1 13 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.429 -3.168 17707
5422 1 13 . 1 1 131 131 ASP N N 97 119.855 119.855 117.935 1.920 17707
5423 1 13 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.584 -0.092 17707
5424 1 13 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.818 -2.403 17707
5425 1 13 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.641 -4.088 17707
5426 1 13 . 1 1 131 131 ASP H H 97 8.196 8.196 7.968 0.228 17707
5427 1 13 . 1 1 132 132 SER N N 98 116.150 116.150 115.132 1.018 17707
5428 1 13 . 1 1 132 132 SER HA H 98 4.286 4.286 4.630 -0.344 17707
5429 1 13 . 1 1 132 132 SER CA C 98 55.729 55.729 58.066 -2.337 17707
5430 1 13 . 1 1 132 132 SER CB C 98 61.088 61.088 64.244 -3.156 17707
5431 1 13 . 1 1 132 132 SER H H 98 8.070 8.070 8.279 -0.209 17707
5432 1 13 . 1 1 133 133 HIS N N 99 119.771 119.771 113.243 6.528 17707
5433 1 13 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.901 -3.834 17707
5434 1 13 . 1 1 133 133 HIS H H 99 8.322 8.322 7.370 0.952 17707
5435 1 14 . 1 1 36 36 SER N N 2 116.365 116.365 116.447 -0.082 17707
5436 1 14 . 1 1 36 36 SER HA H 2 4.398 4.398 4.789 -0.391 17707
5437 1 14 . 1 1 36 36 SER CA C 2 55.706 55.706 57.345 -1.639 17707
5438 1 14 . 1 1 36 36 SER CB C 2 61.260 61.260 64.969 -3.708 17707
5439 1 14 . 1 1 36 36 SER H H 2 8.112 8.112 8.194 -0.082 17707
5440 1 14 . 1 1 37 37 TYR N N 3 121.885 121.885 121.635 0.250 17707
5441 1 14 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.263 0.371 17707
5442 1 14 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.392 -2.209 17707
5443 1 14 . 1 1 37 37 TYR H H 3 8.155 8.155 8.769 -0.614 17707
5444 1 14 . 1 1 38 38 GLY N N 4 109.771 109.771 108.643 1.128 17707
5445 1 14 . 1 1 38 38 GLY H H 4 8.332 8.332 8.457 -0.125 17707
5446 1 14 . 1 1 39 39 ARG N N 5 121.087 121.087 120.399 0.688 17707
5447 1 14 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.635 -0.094 17707
5448 1 14 . 1 1 39 39 ARG CA C 5 51.195 51.195 54.297 -3.103 17707
5449 1 14 . 1 1 39 39 ARG H H 5 8.224 8.224 8.280 -0.056 17707
5450 1 14 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.732 -0.493 17707
5451 1 14 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.124 -3.730 17707
5452 1 14 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.667 -0.283 17707
5453 1 14 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.033 -3.461 17707
5454 1 14 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.733 -0.460 17707
5455 1 14 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.502 -2.371 17707
5456 1 14 . 1 1 42 42 PRO CB C 8 29.097 29.097 32.870 -3.773 17707
5457 1 14 . 1 1 43 43 ASP N N 9 119.118 119.118 116.688 2.430 17707
5458 1 14 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.797 -0.285 17707
5459 1 14 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.860 -2.319 17707
5460 1 14 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.752 -3.253 17707
5461 1 14 . 1 1 43 43 ASP H H 9 8.425 8.425 8.548 -0.123 17707
5462 1 14 . 1 1 44 44 VAL N N 10 118.278 118.278 117.000 1.278 17707
5463 1 14 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.881 0.325 17707
5464 1 14 . 1 1 44 44 VAL CA C 10 59.163 59.163 63.737 -4.574 17707
5465 1 14 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.587 -2.589 17707
5466 1 14 . 1 1 44 44 VAL H H 10 7.882 7.882 7.980 -0.098 17707
5467 1 14 . 1 1 45 45 GLU N N 11 123.222 123.222 119.725 3.497 17707
5468 1 14 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.155 -0.107 17707
5469 1 14 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.569 -1.722 17707
5470 1 14 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.376 -2.929 17707
5471 1 14 . 1 1 45 45 GLU H H 11 8.328 8.328 8.367 -0.038 17707
5472 1 14 . 1 1 46 46 GLY N N 12 108.993 108.993 106.598 2.395 17707
5473 1 14 . 1 1 46 46 GLY CA C 12 42.699 42.699 44.856 -2.157 17707
5474 1 14 . 1 1 46 46 GLY H H 12 8.361 8.361 7.564 0.797 17707
5475 1 14 . 1 1 47 47 MET N N 13 118.074 118.074 118.102 -0.028 17707
5476 1 14 . 1 1 47 47 MET HA H 13 4.584 4.584 4.598 -0.014 17707
5477 1 14 . 1 1 47 47 MET CB C 13 31.447 31.447 32.731 -1.284 17707
5478 1 14 . 1 1 47 47 MET H H 13 7.493 7.493 7.704 -0.211 17707
5479 1 14 . 1 1 48 48 THR N N 14 118.968 118.968 115.730 3.238 17707
5480 1 14 . 1 1 48 48 THR HA H 14 4.534 4.534 4.273 0.261 17707
5481 1 14 . 1 1 48 48 THR CA C 14 60.656 60.656 64.415 -3.759 17707
5482 1 14 . 1 1 48 48 THR CB C 14 67.544 67.544 69.030 -1.486 17707
5483 1 14 . 1 1 48 48 THR H H 14 8.993 8.993 8.392 0.601 17707
5484 1 14 . 1 1 49 49 SER N N 15 123.365 123.365 117.332 6.033 17707
5485 1 14 . 1 1 49 49 SER HA H 15 5.017 5.017 4.142 0.875 17707
5486 1 14 . 1 1 49 49 SER CB C 15 61.787 61.787 61.923 -0.136 17707
5487 1 14 . 1 1 49 49 SER H H 15 9.097 9.097 7.877 1.220 17707
5488 1 14 . 1 1 50 50 LEU N N 16 124.488 124.488 122.240 2.248 17707
5489 1 14 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.130 0.878 17707
5490 1 14 . 1 1 50 50 LEU CA C 16 50.359 50.359 56.011 -5.652 17707
5491 1 14 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.173 -2.071 17707
5492 1 14 . 1 1 50 50 LEU H H 16 9.495 9.495 7.505 1.990 17707
5493 1 14 . 1 1 51 51 LYS N N 17 123.276 123.276 118.205 5.071 17707
5494 1 14 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.273 -0.392 17707
5495 1 14 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.176 -1.752 17707
5496 1 14 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.333 -4.002 17707
5497 1 14 . 1 1 51 51 LYS H H 17 9.239 9.239 8.898 0.341 17707
5498 1 14 . 1 1 52 52 VAL N N 18 130.086 130.086 119.683 10.403 17707
5499 1 14 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.778 -0.004 17707
5500 1 14 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.946 -2.720 17707
5501 1 14 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.530 -4.608 17707
5502 1 14 . 1 1 52 52 VAL H H 18 9.136 9.136 7.592 1.544 17707
5503 1 14 . 1 1 53 53 ASP N N 19 125.621 125.621 121.820 3.801 17707
5504 1 14 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.085 0.093 17707
5505 1 14 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.137 -2.523 17707
5506 1 14 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.066 -2.519 17707
5507 1 14 . 1 1 53 53 ASP H H 19 9.312 9.312 9.091 0.221 17707
5508 1 14 . 1 1 54 54 ASN N N 20 112.496 112.496 116.162 -3.666 17707
5509 1 14 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.413 0.064 17707
5510 1 14 . 1 1 54 54 ASN CA C 20 51.016 51.016 54.154 -3.138 17707
5511 1 14 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.724 -3.105 17707
5512 1 14 . 1 1 54 54 ASN H H 20 8.438 8.438 8.786 -0.348 17707
5513 1 14 . 1 1 55 55 LEU N N 21 114.844 114.844 123.824 -8.980 17707
5514 1 14 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.715 -0.352 17707
5515 1 14 . 1 1 55 55 LEU CA C 21 51.007 51.007 53.598 -2.591 17707
5516 1 14 . 1 1 55 55 LEU CB C 21 41.016 41.016 43.904 -2.888 17707
5517 1 14 . 1 1 55 55 LEU H H 21 7.477 7.477 8.314 -0.837 17707
5518 1 14 . 1 1 56 56 THR N N 22 111.571 111.571 120.531 -8.960 17707
5519 1 14 . 1 1 56 56 THR HA H 22 4.361 4.361 4.457 -0.096 17707
5520 1 14 . 1 1 56 56 THR CA C 22 58.212 58.212 62.340 -4.128 17707
5521 1 14 . 1 1 56 56 THR CB C 22 68.233 68.233 69.913 -1.680 17707
5522 1 14 . 1 1 56 56 THR H H 22 8.341 8.341 8.334 0.007 17707
5523 1 14 . 1 1 57 57 TYR N N 23 122.008 122.008 119.838 2.170 17707
5524 1 14 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.249 0.061 17707
5525 1 14 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.678 -3.102 17707
5526 1 14 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.389 -3.204 17707
5527 1 14 . 1 1 57 57 TYR H H 23 8.587 8.587 8.911 -0.324 17707
5528 1 14 . 1 1 58 58 ARG N N 24 114.767 114.767 116.861 -2.094 17707
5529 1 14 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.735 -0.472 17707
5530 1 14 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.202 -2.106 17707
5531 1 14 . 1 1 58 58 ARG CB C 24 27.404 27.404 29.935 -2.531 17707
5532 1 14 . 1 1 58 58 ARG H H 24 7.262 7.262 7.884 -0.622 17707
5533 1 14 . 1 1 59 59 THR N N 25 119.267 119.267 116.184 3.083 17707
5534 1 14 . 1 1 59 59 THR HA H 25 4.015 4.015 4.696 -0.681 17707
5535 1 14 . 1 1 59 59 THR CA C 25 62.247 62.247 60.947 1.300 17707
5536 1 14 . 1 1 59 59 THR CB C 25 65.785 65.785 71.102 -5.317 17707
5537 1 14 . 1 1 59 59 THR H H 25 7.348 7.348 7.726 -0.378 17707
5538 1 14 . 1 1 60 60 SER N N 26 124.341 124.341 114.313 10.028 17707
5539 1 14 . 1 1 60 60 SER HA H 26 4.861 4.861 4.921 -0.060 17707
5540 1 14 . 1 1 60 60 SER CA C 26 52.864 52.864 55.180 -2.316 17707
5541 1 14 . 1 1 60 60 SER CB C 26 61.783 61.783 64.758 -2.975 17707
5542 1 14 . 1 1 60 60 SER H H 26 8.319 8.319 8.116 0.203 17707
5543 1 14 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.419 -0.409 17707
5544 1 14 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.398 -2.315 17707
5545 1 14 . 1 1 62 62 ASP N N 28 115.615 115.615 116.980 -1.365 17707
5546 1 14 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.544 -0.168 17707
5547 1 14 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.316 -2.635 17707
5548 1 14 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.799 -2.547 17707
5549 1 14 . 1 1 62 62 ASP H H 28 8.020 8.020 8.572 -0.552 17707
5550 1 14 . 1 1 63 63 THR N N 29 118.079 118.079 117.142 0.937 17707
5551 1 14 . 1 1 63 63 THR HA H 29 3.902 3.902 4.220 -0.318 17707
5552 1 14 . 1 1 63 63 THR CA C 29 63.729 63.729 66.618 -2.889 17707
5553 1 14 . 1 1 63 63 THR CB C 29 65.634 65.634 68.933 -3.299 17707
5554 1 14 . 1 1 63 63 THR H H 29 7.766 7.766 7.469 0.297 17707
5555 1 14 . 1 1 64 64 LEU N N 30 118.985 118.985 120.377 -1.392 17707
5556 1 14 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.249 -0.196 17707
5557 1 14 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.507 -2.529 17707
5558 1 14 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.952 -1.121 17707
5559 1 14 . 1 1 64 64 LEU H H 30 7.495 7.495 8.437 -0.942 17707
5560 1 14 . 1 1 65 65 ARG N N 31 119.245 119.245 120.487 -1.242 17707
5561 1 14 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.217 -0.573 17707
5562 1 14 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.491 -0.135 17707
5563 1 14 . 1 1 65 65 ARG H H 31 8.583 8.583 7.852 0.731 17707
5564 1 14 . 1 1 66 66 ARG N N 32 115.695 115.695 118.010 -2.315 17707
5565 1 14 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.265 -0.193 17707
5566 1 14 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.251 -1.577 17707
5567 1 14 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.119 -1.561 17707
5568 1 14 . 1 1 66 66 ARG H H 32 7.707 7.707 7.820 -0.113 17707
5569 1 14 . 1 1 67 67 VAL N N 33 115.500 115.500 117.390 -1.890 17707
5570 1 14 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.145 -0.253 17707
5571 1 14 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.139 -1.483 17707
5572 1 14 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.318 -2.762 17707
5573 1 14 . 1 1 67 67 VAL H H 33 7.739 7.739 7.975 -0.236 17707
5574 1 14 . 1 1 68 68 PHE N N 34 116.290 116.290 117.828 -1.538 17707
5575 1 14 . 1 1 68 68 PHE HA H 34 4.498 4.498 5.009 -0.511 17707
5576 1 14 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.504 0.524 17707
5577 1 14 . 1 1 68 68 PHE CB C 34 36.192 36.192 41.024 -4.832 17707
5578 1 14 . 1 1 68 68 PHE H H 34 8.253 8.253 7.815 0.438 17707
5579 1 14 . 1 1 69 69 GLU N N 35 119.333 119.333 121.789 -2.456 17707
5580 1 14 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.009 1.026 17707
5581 1 14 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.718 -4.736 17707
5582 1 14 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.519 -3.345 17707
5583 1 14 . 1 1 69 69 GLU H H 35 8.583 8.583 8.700 -0.117 17707
5584 1 14 . 1 1 70 70 LYS N N 36 118.341 118.341 116.982 1.359 17707
5585 1 14 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.130 -0.238 17707
5586 1 14 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.190 -2.731 17707
5587 1 14 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.482 -2.258 17707
5588 1 14 . 1 1 70 70 LYS H H 36 6.871 6.871 8.405 -1.534 17707
5589 1 14 . 1 1 71 71 TYR N N 37 115.014 115.014 119.237 -4.223 17707
5590 1 14 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.348 -0.041 17707
5591 1 14 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.287 -4.053 17707
5592 1 14 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.135 -2.500 17707
5593 1 14 . 1 1 71 71 TYR H H 37 7.611 7.611 7.726 -0.115 17707
5594 1 14 . 1 1 72 72 GLY N N 38 104.741 104.741 104.200 0.541 17707
5595 1 14 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.357 -3.728 17707
5596 1 14 . 1 1 72 72 GLY H H 38 7.356 7.356 7.959 -0.603 17707
5597 1 14 . 1 1 73 73 ARG N N 39 115.783 115.783 119.442 -3.659 17707
5598 1 14 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.587 -0.219 17707
5599 1 14 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.187 -0.484 17707
5600 1 14 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.940 -5.088 17707
5601 1 14 . 1 1 73 73 ARG H H 39 7.990 7.990 7.887 0.103 17707
5602 1 14 . 1 1 74 74 VAL N N 40 130.246 130.246 118.289 11.957 17707
5603 1 14 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.825 -0.127 17707
5604 1 14 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.508 -1.024 17707
5605 1 14 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.936 -4.637 17707
5606 1 14 . 1 1 74 74 VAL H H 40 8.846 8.846 8.354 0.492 17707
5607 1 14 . 1 1 75 75 GLY N N 41 114.952 114.952 111.398 3.554 17707
5608 1 14 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.616 -1.711 17707
5609 1 14 . 1 1 75 75 GLY H H 41 8.943 8.943 8.768 0.175 17707
5610 1 14 . 1 1 76 76 ASP N N 42 115.344 115.344 118.324 -2.980 17707
5611 1 14 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.658 0.054 17707
5612 1 14 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.546 -1.032 17707
5613 1 14 . 1 1 76 76 ASP H H 42 7.224 7.224 7.460 -0.236 17707
5614 1 14 . 1 1 77 77 VAL N N 43 122.703 122.703 122.303 0.400 17707
5615 1 14 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.384 0.339 17707
5616 1 14 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.999 -2.652 17707
5617 1 14 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.867 -1.285 17707
5618 1 14 . 1 1 77 77 VAL H H 43 7.551 7.551 7.919 -0.368 17707
5619 1 14 . 1 1 78 78 TYR N N 44 125.956 125.956 124.640 1.316 17707
5620 1 14 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.856 0.115 17707
5621 1 14 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.186 -1.880 17707
5622 1 14 . 1 1 78 78 TYR H H 44 9.023 9.023 8.571 0.452 17707
5623 1 14 . 1 1 79 79 ILE N N 45 129.856 129.856 119.874 9.982 17707
5624 1 14 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.251 0.005 17707
5625 1 14 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.576 -2.178 17707
5626 1 14 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.909 -3.595 17707
5627 1 14 . 1 1 79 79 ILE H H 45 8.231 8.231 8.113 0.118 17707
5628 1 14 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.093 -0.189 17707
5629 1 14 . 1 1 80 80 PRO CA C 46 59.641 59.641 61.967 -2.326 17707
5630 1 14 . 1 1 81 81 ARG H H 47 8.593 8.593 7.616 0.977 17707
5631 1 14 . 1 1 82 82 ASP N N 48 125.712 125.712 121.268 4.444 17707
5632 1 14 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.313 0.069 17707
5633 1 14 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.044 -2.585 17707
5634 1 14 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.115 0.193 17707
5635 1 14 . 1 1 82 82 ASP H H 48 8.948 8.948 7.794 1.154 17707
5636 1 14 . 1 1 83 83 ARG N N 49 125.207 125.207 122.940 2.267 17707
5637 1 14 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.011 -0.315 17707
5638 1 14 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.913 -2.299 17707
5639 1 14 . 1 1 83 83 ARG H H 49 8.688 8.688 8.625 0.063 17707
5640 1 14 . 1 1 84 84 TYR N N 50 117.911 117.911 110.879 7.032 17707
5641 1 14 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.951 -0.357 17707
5642 1 14 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.015 -0.249 17707
5643 1 14 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.778 -2.591 17707
5644 1 14 . 1 1 84 84 TYR H H 50 8.449 8.449 6.650 1.799 17707
5645 1 14 . 1 1 85 85 THR N N 51 110.450 110.450 112.321 -1.871 17707
5646 1 14 . 1 1 85 85 THR HA H 51 4.230 4.230 4.510 -0.280 17707
5647 1 14 . 1 1 85 85 THR CA C 51 59.620 59.620 61.704 -2.084 17707
5648 1 14 . 1 1 85 85 THR CB C 51 67.745 67.745 70.918 -3.173 17707
5649 1 14 . 1 1 85 85 THR H H 51 9.141 9.141 7.608 1.533 17707
5650 1 14 . 1 1 86 86 LYS N N 52 113.570 113.570 119.258 -5.688 17707
5651 1 14 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.756 0.199 17707
5652 1 14 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.916 -3.488 17707
5653 1 14 . 1 1 86 86 LYS H H 52 7.821 7.821 8.534 -0.713 17707
5654 1 14 . 1 1 87 87 GLU N N 53 118.364 118.364 115.629 2.735 17707
5655 1 14 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.336 0.044 17707
5656 1 14 . 1 1 87 87 GLU CA C 53 52.641 52.641 55.669 -3.028 17707
5657 1 14 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.162 -1.321 17707
5658 1 14 . 1 1 87 87 GLU H H 53 7.714 7.714 7.711 0.003 17707
5659 1 14 . 1 1 88 88 SER N N 54 115.692 115.692 116.335 -0.643 17707
5660 1 14 . 1 1 88 88 SER CB C 54 61.369 61.369 63.797 -2.428 17707
5661 1 14 . 1 1 88 88 SER H H 54 8.705 8.705 7.951 0.754 17707
5662 1 14 . 1 1 89 89 ARG N N 55 122.170 122.170 117.267 4.903 17707
5663 1 14 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.391 -0.074 17707
5664 1 14 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.937 -2.143 17707
5665 1 14 . 1 1 89 89 ARG H H 55 7.934 7.934 8.186 -0.252 17707
5666 1 14 . 1 1 90 90 GLY N N 56 106.948 106.948 106.674 0.274 17707
5667 1 14 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.165 -1.890 17707
5668 1 14 . 1 1 90 90 GLY H H 56 8.557 8.557 8.755 -0.198 17707
5669 1 14 . 1 1 91 91 PHE N N 57 113.487 113.487 115.553 -2.066 17707
5670 1 14 . 1 1 91 91 PHE HA H 57 5.592 5.592 5.002 0.590 17707
5671 1 14 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.740 -3.829 17707
5672 1 14 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.573 -0.795 17707
5673 1 14 . 1 1 91 91 PHE H H 57 6.936 6.936 7.533 -0.597 17707
5674 1 14 . 1 1 92 92 ALA N N 58 117.841 117.841 121.797 -3.956 17707
5675 1 14 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.419 0.329 17707
5676 1 14 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.336 -4.801 17707
5677 1 14 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.932 2.666 17707
5678 1 14 . 1 1 92 92 ALA H H 58 8.848 8.848 8.319 0.529 17707
5679 1 14 . 1 1 93 93 PHE N N 59 115.981 115.981 127.599 -11.618 17707
5680 1 14 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.955 0.718 17707
5681 1 14 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.115 -4.253 17707
5682 1 14 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.355 -2.457 17707
5683 1 14 . 1 1 93 93 PHE H H 59 8.824 8.824 8.085 0.739 17707
5684 1 14 . 1 1 94 94 VAL N N 60 123.120 123.120 123.106 0.014 17707
5685 1 14 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.455 -0.151 17707
5686 1 14 . 1 1 94 94 VAL CA C 60 58.931 58.931 58.947 -0.016 17707
5687 1 14 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.590 -4.161 17707
5688 1 14 . 1 1 94 94 VAL H H 60 8.581 8.581 7.571 1.010 17707
5689 1 14 . 1 1 95 95 ARG N N 61 123.954 123.954 118.162 5.792 17707
5690 1 14 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.185 0.367 17707
5691 1 14 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.358 -3.843 17707
5692 1 14 . 1 1 95 95 ARG H H 61 8.727 8.727 8.495 0.232 17707
5693 1 14 . 1 1 96 96 PHE N N 62 121.921 121.921 120.723 1.198 17707
5694 1 14 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.651 0.252 17707
5695 1 14 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.071 -1.505 17707
5696 1 14 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.133 -3.247 17707
5697 1 14 . 1 1 96 96 PHE H H 62 9.127 9.127 8.264 0.863 17707
5698 1 14 . 1 1 97 97 HIS N N 63 120.064 120.064 115.423 4.641 17707
5699 1 14 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.804 -0.466 17707
5700 1 14 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.118 1.143 17707
5701 1 14 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.676 -4.388 17707
5702 1 14 . 1 1 97 97 HIS H H 63 7.982 7.982 8.872 -0.890 17707
5703 1 14 . 1 1 98 98 ASP N N 64 119.665 119.665 122.556 -2.891 17707
5704 1 14 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.909 0.150 17707
5705 1 14 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.439 -4.244 17707
5706 1 14 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.147 -1.049 17707
5707 1 14 . 1 1 98 98 ASP H H 64 9.096 9.096 8.505 0.591 17707
5708 1 14 . 1 1 99 99 LYS N N 65 127.804 127.804 126.877 0.927 17707
5709 1 14 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.972 -0.127 17707
5710 1 14 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.608 -2.212 17707
5711 1 14 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.532 -2.286 17707
5712 1 14 . 1 1 99 99 LYS H H 65 8.784 8.784 8.881 -0.097 17707
5713 1 14 . 1 1 100 100 ARG N N 66 118.451 118.451 114.897 3.554 17707
5714 1 14 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.122 -0.052 17707
5715 1 14 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.422 -2.283 17707
5716 1 14 . 1 1 100 100 ARG CB C 66 26.766 26.766 29.256 -2.490 17707
5717 1 14 . 1 1 100 100 ARG H H 66 8.600 8.600 8.774 -0.174 17707
5718 1 14 . 1 1 101 101 ASP N N 67 119.627 119.627 116.429 3.198 17707
5719 1 14 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.735 -0.541 17707
5720 1 14 . 1 1 101 101 ASP CA C 67 54.233 54.233 54.775 -0.542 17707
5721 1 14 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.539 -2.543 17707
5722 1 14 . 1 1 101 101 ASP H H 67 7.089 7.089 7.752 -0.663 17707
5723 1 14 . 1 1 102 102 ALA N N 68 119.421 119.421 123.898 -4.477 17707
5724 1 14 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.564 -0.600 17707
5725 1 14 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.126 -3.423 17707
5726 1 14 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.831 -3.163 17707
5727 1 14 . 1 1 102 102 ALA H H 68 6.832 6.832 7.524 -0.692 17707
5728 1 14 . 1 1 103 103 GLU N N 69 117.506 117.506 116.952 0.554 17707
5729 1 14 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.978 -0.320 17707
5730 1 14 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.674 -1.512 17707
5731 1 14 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.424 -2.999 17707
5732 1 14 . 1 1 103 103 GLU H H 69 8.011 8.011 8.027 -0.016 17707
5733 1 14 . 1 1 104 104 ASP N N 70 120.487 120.487 120.925 -0.438 17707
5734 1 14 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.404 -0.138 17707
5735 1 14 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.967 -2.479 17707
5736 1 14 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.951 -3.489 17707
5737 1 14 . 1 1 104 104 ASP H H 70 8.020 8.020 7.693 0.327 17707
5738 1 14 . 1 1 105 105 ALA N N 71 122.179 122.179 120.456 1.723 17707
5739 1 14 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.292 -0.517 17707
5740 1 14 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.551 -2.806 17707
5741 1 14 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.426 -1.218 17707
5742 1 14 . 1 1 105 105 ALA H H 71 8.118 8.118 7.371 0.747 17707
5743 1 14 . 1 1 106 106 MET N N 72 118.380 118.380 115.327 3.053 17707
5744 1 14 . 1 1 106 106 MET HA H 72 3.655 3.655 4.186 -0.531 17707
5745 1 14 . 1 1 106 106 MET CA C 72 57.188 57.188 58.489 -1.301 17707
5746 1 14 . 1 1 106 106 MET CB C 72 30.409 30.409 32.654 -2.245 17707
5747 1 14 . 1 1 106 106 MET H H 72 8.279 8.279 7.415 0.864 17707
5748 1 14 . 1 1 107 107 ASP N N 73 117.030 117.030 119.991 -2.961 17707
5749 1 14 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.506 -0.179 17707
5750 1 14 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.820 -1.761 17707
5751 1 14 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.941 -2.848 17707
5752 1 14 . 1 1 107 107 ASP H H 73 7.749 7.749 8.002 -0.253 17707
5753 1 14 . 1 1 108 108 ALA N N 74 117.995 117.995 119.124 -1.129 17707
5754 1 14 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.618 -0.494 17707
5755 1 14 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.795 -1.461 17707
5756 1 14 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.335 -2.676 17707
5757 1 14 . 1 1 108 108 ALA H H 74 7.347 7.347 7.442 -0.095 17707
5758 1 14 . 1 1 109 109 MET N N 75 112.202 112.202 116.588 -4.386 17707
5759 1 14 . 1 1 109 109 MET HA H 75 4.742 4.742 4.563 0.179 17707
5760 1 14 . 1 1 109 109 MET CA C 75 50.546 50.546 55.791 -5.245 17707
5761 1 14 . 1 1 109 109 MET H H 75 8.057 8.057 7.640 0.417 17707
5762 1 14 . 1 1 110 110 ASP N N 76 120.043 120.043 120.203 -0.160 17707
5763 1 14 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.440 -0.054 17707
5764 1 14 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.348 -1.403 17707
5765 1 14 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.360 -2.756 17707
5766 1 14 . 1 1 110 110 ASP H H 76 7.825 7.825 7.625 0.201 17707
5767 1 14 . 1 1 111 111 GLY N N 77 117.743 117.743 111.909 5.834 17707
5768 1 14 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.673 -2.657 17707
5769 1 14 . 1 1 111 111 GLY H H 77 8.636 8.636 8.352 0.284 17707
5770 1 14 . 1 1 112 112 ALA N N 78 123.755 123.755 122.821 0.934 17707
5771 1 14 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.460 -0.141 17707
5772 1 14 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.550 -2.514 17707
5773 1 14 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.699 -1.251 17707
5774 1 14 . 1 1 112 112 ALA H H 78 7.909 7.909 7.732 0.177 17707
5775 1 14 . 1 1 113 113 VAL N N 79 118.703 118.703 119.534 -0.831 17707
5776 1 14 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.977 0.636 17707
5777 1 14 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.662 -3.090 17707
5778 1 14 . 1 1 113 113 VAL H H 79 8.083 8.083 7.282 0.801 17707
5779 1 14 . 1 1 114 114 LEU N N 80 129.473 129.473 118.587 10.886 17707
5780 1 14 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.819 -0.276 17707
5781 1 14 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.548 -3.606 17707
5782 1 14 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.077 -0.492 17707
5783 1 14 . 1 1 114 114 LEU H H 80 8.895 8.895 8.033 0.862 17707
5784 1 14 . 1 1 115 115 ASP N N 81 129.660 129.660 118.616 11.044 17707
5785 1 14 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.949 -0.720 17707
5786 1 14 . 1 1 115 115 ASP CA C 81 52.252 52.252 55.202 -2.950 17707
5787 1 14 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.161 -4.889 17707
5788 1 14 . 1 1 115 115 ASP H H 81 9.428 9.428 8.454 0.974 17707
5789 1 14 . 1 1 116 116 GLY N N 82 100.557 100.557 107.903 -7.346 17707
5790 1 14 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.924 -2.043 17707
5791 1 14 . 1 1 116 116 GLY H H 82 7.978 7.978 8.321 -0.343 17707
5792 1 14 . 1 1 117 117 ARG N N 83 120.104 120.104 119.957 0.147 17707
5793 1 14 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.507 0.043 17707
5794 1 14 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.947 -4.841 17707
5795 1 14 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.299 -0.654 17707
5796 1 14 . 1 1 117 117 ARG H H 83 7.493 7.493 7.590 -0.097 17707
5797 1 14 . 1 1 118 118 GLU N N 84 121.206 121.206 121.116 0.090 17707
5798 1 14 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.588 -0.285 17707
5799 1 14 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.361 -2.932 17707
5800 1 14 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.731 -4.605 17707
5801 1 14 . 1 1 118 118 GLU H H 84 8.352 8.352 8.497 -0.145 17707
5802 1 14 . 1 1 119 119 LEU N N 85 127.970 127.970 118.270 9.700 17707
5803 1 14 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.726 -0.164 17707
5804 1 14 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.311 -0.788 17707
5805 1 14 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.194 -4.383 17707
5806 1 14 . 1 1 119 119 LEU H H 85 9.349 9.349 7.781 1.568 17707
5807 1 14 . 1 1 120 120 ARG N N 86 121.001 121.001 121.402 -0.401 17707
5808 1 14 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.034 0.140 17707
5809 1 14 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.873 -3.278 17707
5810 1 14 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.405 -2.713 17707
5811 1 14 . 1 1 120 120 ARG H H 86 7.512 7.512 8.332 -0.820 17707
5812 1 14 . 1 1 121 121 VAL N N 87 125.999 125.999 123.831 2.168 17707
5813 1 14 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.822 0.116 17707
5814 1 14 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.141 -1.375 17707
5815 1 14 . 1 1 121 121 VAL H H 87 9.437 9.437 8.152 1.285 17707
5816 1 14 . 1 1 122 122 GLN N N 88 121.684 121.684 124.168 -2.484 17707
5817 1 14 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.547 0.422 17707
5818 1 14 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.567 -2.668 17707
5819 1 14 . 1 1 122 122 GLN CB C 88 31.157 31.157 32.748 -1.591 17707
5820 1 14 . 1 1 122 122 GLN H H 88 8.301 8.301 8.057 0.244 17707
5821 1 14 . 1 1 123 123 MET N N 89 121.937 121.937 119.770 2.167 17707
5822 1 14 . 1 1 123 123 MET HA H 89 4.529 4.529 4.367 0.162 17707
5823 1 14 . 1 1 123 123 MET CA C 89 53.328 53.328 55.111 -1.783 17707
5824 1 14 . 1 1 123 123 MET CB C 89 28.750 28.750 32.483 -3.732 17707
5825 1 14 . 1 1 123 123 MET H H 89 8.714 8.714 8.612 0.102 17707
5826 1 14 . 1 1 124 124 ALA N N 90 126.984 126.984 127.406 -0.422 17707
5827 1 14 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.317 0.100 17707
5828 1 14 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.583 -2.780 17707
5829 1 14 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.915 -4.663 17707
5830 1 14 . 1 1 124 124 ALA H H 90 8.437 8.437 8.159 0.278 17707
5831 1 14 . 1 1 125 125 ARG H H 91 9.886 9.886 8.363 1.523 17707
5832 1 14 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.298 -2.562 17707
5833 1 14 . 1 1 128 128 ARG N N 94 120.921 120.921 119.881 1.040 17707
5834 1 14 . 1 1 128 128 ARG H H 94 8.245 8.245 8.251 -0.006 17707
5835 1 14 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.726 -0.133 17707
5836 1 14 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.016 -3.027 17707
5837 1 14 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.370 -0.053 17707
5838 1 14 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.810 -3.415 17707
5839 1 14 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.798 -3.537 17707
5840 1 14 . 1 1 131 131 ASP N N 97 119.855 119.855 117.541 2.314 17707
5841 1 14 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.769 -0.277 17707
5842 1 14 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.128 -1.713 17707
5843 1 14 . 1 1 131 131 ASP CB C 97 38.553 38.553 44.420 -5.867 17707
5844 1 14 . 1 1 131 131 ASP H H 97 8.196 8.196 7.551 0.645 17707
5845 1 14 . 1 1 132 132 SER N N 98 116.150 116.150 115.181 0.969 17707
5846 1 14 . 1 1 132 132 SER HA H 98 4.286 4.286 4.388 -0.102 17707
5847 1 14 . 1 1 132 132 SER CA C 98 55.729 55.729 60.507 -4.778 17707
5848 1 14 . 1 1 132 132 SER CB C 98 61.088 61.088 63.902 -2.814 17707
5849 1 14 . 1 1 132 132 SER H H 98 8.070 8.070 8.720 -0.650 17707
5850 1 14 . 1 1 133 133 HIS N N 99 119.771 119.771 111.105 8.666 17707
5851 1 14 . 1 1 133 133 HIS CB C 99 27.067 27.067 29.280 -2.213 17707
5852 1 14 . 1 1 133 133 HIS H H 99 8.322 8.322 7.718 0.604 17707
5853 1 15 . 1 1 36 36 SER N N 2 116.365 116.365 115.124 1.241 17707
5854 1 15 . 1 1 36 36 SER HA H 2 4.398 4.398 4.725 -0.327 17707
5855 1 15 . 1 1 36 36 SER CA C 2 55.706 55.706 57.918 -2.212 17707
5856 1 15 . 1 1 36 36 SER CB C 2 61.260 61.260 64.903 -3.643 17707
5857 1 15 . 1 1 36 36 SER H H 2 8.112 8.112 8.202 -0.090 17707
5858 1 15 . 1 1 37 37 TYR N N 3 121.885 121.885 118.696 3.189 17707
5859 1 15 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.605 0.029 17707
5860 1 15 . 1 1 37 37 TYR CB C 3 36.183 36.183 39.767 -3.584 17707
5861 1 15 . 1 1 37 37 TYR H H 3 8.155 8.155 8.357 -0.202 17707
5862 1 15 . 1 1 38 38 GLY N N 4 109.771 109.771 108.809 0.962 17707
5863 1 15 . 1 1 38 38 GLY H H 4 8.332 8.332 7.940 0.392 17707
5864 1 15 . 1 1 39 39 ARG N N 5 121.087 121.087 118.849 2.238 17707
5865 1 15 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.067 0.474 17707
5866 1 15 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.985 -4.790 17707
5867 1 15 . 1 1 39 39 ARG H H 5 8.224 8.224 8.242 -0.018 17707
5868 1 15 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.652 -0.413 17707
5869 1 15 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.605 -3.211 17707
5870 1 15 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.693 -0.309 17707
5871 1 15 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.959 -3.387 17707
5872 1 15 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.706 -0.433 17707
5873 1 15 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.514 -2.383 17707
5874 1 15 . 1 1 42 42 PRO CB C 8 29.097 29.097 34.088 -4.991 17707
5875 1 15 . 1 1 43 43 ASP N N 9 119.118 119.118 117.466 1.652 17707
5876 1 15 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.907 -0.395 17707
5877 1 15 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.936 -2.395 17707
5878 1 15 . 1 1 43 43 ASP CB C 9 37.499 37.499 42.770 -5.271 17707
5879 1 15 . 1 1 43 43 ASP H H 9 8.425 8.425 8.604 -0.179 17707
5880 1 15 . 1 1 44 44 VAL N N 10 118.278 118.278 117.938 0.340 17707
5881 1 15 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.945 0.261 17707
5882 1 15 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.496 -5.333 17707
5883 1 15 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.959 -2.961 17707
5884 1 15 . 1 1 44 44 VAL H H 10 7.882 7.882 8.000 -0.118 17707
5885 1 15 . 1 1 45 45 GLU N N 11 123.222 123.222 119.165 4.057 17707
5886 1 15 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.344 -0.296 17707
5887 1 15 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.604 -0.757 17707
5888 1 15 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.697 -3.250 17707
5889 1 15 . 1 1 45 45 GLU H H 11 8.328 8.328 8.389 -0.061 17707
5890 1 15 . 1 1 46 46 GLY N N 12 108.993 108.993 108.153 0.840 17707
5891 1 15 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.301 -2.602 17707
5892 1 15 . 1 1 46 46 GLY H H 12 8.361 8.361 8.150 0.211 17707
5893 1 15 . 1 1 47 47 MET N N 13 118.074 118.074 116.960 1.114 17707
5894 1 15 . 1 1 47 47 MET HA H 13 4.584 4.584 4.905 -0.321 17707
5895 1 15 . 1 1 47 47 MET CB C 13 31.447 31.447 35.838 -4.391 17707
5896 1 15 . 1 1 47 47 MET H H 13 7.493 7.493 7.319 0.174 17707
5897 1 15 . 1 1 48 48 THR N N 14 118.968 118.968 118.847 0.121 17707
5898 1 15 . 1 1 48 48 THR HA H 14 4.534 4.534 4.550 -0.016 17707
5899 1 15 . 1 1 48 48 THR CA C 14 60.656 60.656 62.578 -1.922 17707
5900 1 15 . 1 1 48 48 THR CB C 14 67.544 67.544 68.051 -0.507 17707
5901 1 15 . 1 1 48 48 THR H H 14 8.993 8.993 8.752 0.241 17707
5902 1 15 . 1 1 49 49 SER N N 15 123.365 123.365 123.700 -0.335 17707
5903 1 15 . 1 1 49 49 SER HA H 15 5.017 5.017 4.593 0.424 17707
5904 1 15 . 1 1 49 49 SER CB C 15 61.787 61.787 62.711 -0.924 17707
5905 1 15 . 1 1 49 49 SER H H 15 9.097 9.097 8.396 0.701 17707
5906 1 15 . 1 1 50 50 LEU N N 16 124.488 124.488 125.396 -0.908 17707
5907 1 15 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.339 0.669 17707
5908 1 15 . 1 1 50 50 LEU CA C 16 50.359 50.359 54.268 -3.909 17707
5909 1 15 . 1 1 50 50 LEU CB C 16 41.102 41.102 42.077 -0.975 17707
5910 1 15 . 1 1 50 50 LEU H H 16 9.495 9.495 8.041 1.454 17707
5911 1 15 . 1 1 51 51 LYS N N 17 123.276 123.276 128.521 -5.245 17707
5912 1 15 . 1 1 51 51 LYS HA H 17 4.881 4.881 4.704 0.177 17707
5913 1 15 . 1 1 51 51 LYS CA C 17 52.425 52.425 55.720 -3.295 17707
5914 1 15 . 1 1 51 51 LYS CB C 17 32.331 32.331 33.860 -1.529 17707
5915 1 15 . 1 1 51 51 LYS H H 17 9.239 9.239 8.180 1.059 17707
5916 1 15 . 1 1 52 52 VAL N N 18 130.086 130.086 124.856 5.230 17707
5917 1 15 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.555 0.219 17707
5918 1 15 . 1 1 52 52 VAL CA C 18 58.226 58.226 61.026 -2.800 17707
5919 1 15 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.346 -4.423 17707
5920 1 15 . 1 1 52 52 VAL H H 18 9.136 9.136 7.587 1.549 17707
5921 1 15 . 1 1 53 53 ASP N N 19 125.621 125.621 122.422 3.199 17707
5922 1 15 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.076 0.102 17707
5923 1 15 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.188 -2.574 17707
5924 1 15 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.266 -2.719 17707
5925 1 15 . 1 1 53 53 ASP H H 19 9.312 9.312 8.906 0.406 17707
5926 1 15 . 1 1 54 54 ASN N N 20 112.496 112.496 115.561 -3.065 17707
5927 1 15 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.492 -0.015 17707
5928 1 15 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.765 -2.749 17707
5929 1 15 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.839 -3.220 17707
5930 1 15 . 1 1 54 54 ASN H H 20 8.438 8.438 8.723 -0.285 17707
5931 1 15 . 1 1 55 55 LEU N N 21 114.844 114.844 119.726 -4.882 17707
5932 1 15 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.155 0.208 17707
5933 1 15 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.040 -5.033 17707
5934 1 15 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.953 0.062 17707
5935 1 15 . 1 1 55 55 LEU H H 21 7.477 7.477 7.775 -0.298 17707
5936 1 15 . 1 1 56 56 THR N N 22 111.571 111.571 119.255 -7.684 17707
5937 1 15 . 1 1 56 56 THR HA H 22 4.361 4.361 4.068 0.293 17707
5938 1 15 . 1 1 56 56 THR CA C 22 58.212 58.212 67.216 -9.004 17707
5939 1 15 . 1 1 56 56 THR CB C 22 68.233 68.233 69.285 -1.052 17707
5940 1 15 . 1 1 56 56 THR H H 22 8.341 8.341 8.573 -0.232 17707
5941 1 15 . 1 1 57 57 TYR N N 23 122.008 122.008 110.929 11.079 17707
5942 1 15 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.512 -0.202 17707
5943 1 15 . 1 1 57 57 TYR CA C 23 56.576 56.576 58.841 -2.265 17707
5944 1 15 . 1 1 57 57 TYR CB C 23 34.185 34.185 38.201 -4.016 17707
5945 1 15 . 1 1 57 57 TYR H H 23 8.587 8.587 7.361 1.226 17707
5946 1 15 . 1 1 58 58 ARG N N 24 114.767 114.767 119.239 -4.472 17707
5947 1 15 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.537 -0.274 17707
5948 1 15 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.916 -2.820 17707
5949 1 15 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.276 -2.872 17707
5950 1 15 . 1 1 58 58 ARG H H 24 7.262 7.262 7.761 -0.499 17707
5951 1 15 . 1 1 59 59 THR N N 25 119.267 119.267 116.340 2.927 17707
5952 1 15 . 1 1 59 59 THR HA H 25 4.015 4.015 4.327 -0.312 17707
5953 1 15 . 1 1 59 59 THR CA C 25 62.247 62.247 62.190 0.057 17707
5954 1 15 . 1 1 59 59 THR CB C 25 65.785 65.785 69.608 -3.822 17707
5955 1 15 . 1 1 59 59 THR H H 25 7.348 7.348 7.546 -0.198 17707
5956 1 15 . 1 1 60 60 SER N N 26 124.341 124.341 114.307 10.034 17707
5957 1 15 . 1 1 60 60 SER HA H 26 4.861 4.861 4.980 -0.119 17707
5958 1 15 . 1 1 60 60 SER CA C 26 52.864 52.864 55.130 -2.266 17707
5959 1 15 . 1 1 60 60 SER CB C 26 61.783 61.783 64.890 -3.107 17707
5960 1 15 . 1 1 60 60 SER H H 26 8.319 8.319 8.044 0.275 17707
5961 1 15 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.457 -0.447 17707
5962 1 15 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.278 -2.195 17707
5963 1 15 . 1 1 62 62 ASP N N 28 115.615 115.615 116.718 -1.103 17707
5964 1 15 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.435 -0.059 17707
5965 1 15 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.152 -2.471 17707
5966 1 15 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.709 -2.457 17707
5967 1 15 . 1 1 62 62 ASP H H 28 8.020 8.020 8.572 -0.552 17707
5968 1 15 . 1 1 63 63 THR N N 29 118.079 118.079 117.342 0.737 17707
5969 1 15 . 1 1 63 63 THR HA H 29 3.902 3.902 4.236 -0.334 17707
5970 1 15 . 1 1 63 63 THR CA C 29 63.729 63.729 66.502 -2.773 17707
5971 1 15 . 1 1 63 63 THR CB C 29 65.634 65.634 68.941 -3.307 17707
5972 1 15 . 1 1 63 63 THR H H 29 7.766 7.766 7.437 0.329 17707
5973 1 15 . 1 1 64 64 LEU N N 30 118.985 118.985 120.237 -1.252 17707
5974 1 15 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.279 -0.226 17707
5975 1 15 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.370 -2.392 17707
5976 1 15 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.899 -1.068 17707
5977 1 15 . 1 1 64 64 LEU H H 30 7.495 7.495 8.335 -0.840 17707
5978 1 15 . 1 1 65 65 ARG N N 31 119.245 119.245 120.375 -1.130 17707
5979 1 15 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.158 -0.514 17707
5980 1 15 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.533 -0.177 17707
5981 1 15 . 1 1 65 65 ARG H H 31 8.583 8.583 7.776 0.807 17707
5982 1 15 . 1 1 66 66 ARG N N 32 115.695 115.695 118.578 -2.883 17707
5983 1 15 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.252 -0.180 17707
5984 1 15 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.565 -1.891 17707
5985 1 15 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.357 -1.799 17707
5986 1 15 . 1 1 66 66 ARG H H 32 7.707 7.707 7.748 -0.041 17707
5987 1 15 . 1 1 67 67 VAL N N 33 115.500 115.500 119.166 -3.666 17707
5988 1 15 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.993 -0.101 17707
5989 1 15 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.508 -2.853 17707
5990 1 15 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.277 -2.721 17707
5991 1 15 . 1 1 67 67 VAL H H 33 7.739 7.739 7.965 -0.227 17707
5992 1 15 . 1 1 68 68 PHE N N 34 116.290 116.290 116.286 0.004 17707
5993 1 15 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.947 -0.449 17707
5994 1 15 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.470 0.558 17707
5995 1 15 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.867 -4.675 17707
5996 1 15 . 1 1 68 68 PHE H H 34 8.253 8.253 7.711 0.542 17707
5997 1 15 . 1 1 69 69 GLU N N 35 119.333 119.333 120.752 -1.419 17707
5998 1 15 . 1 1 69 69 GLU HA H 35 5.035 5.035 3.964 1.071 17707
5999 1 15 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.147 -4.165 17707
6000 1 15 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.615 -3.441 17707
6001 1 15 . 1 1 69 69 GLU H H 35 8.583 8.583 8.440 0.143 17707
6002 1 15 . 1 1 70 70 LYS N N 36 118.341 118.341 117.935 0.406 17707
6003 1 15 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.104 -0.212 17707
6004 1 15 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.234 -2.775 17707
6005 1 15 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.589 -2.365 17707
6006 1 15 . 1 1 70 70 LYS H H 36 6.871 6.871 8.230 -1.359 17707
6007 1 15 . 1 1 71 71 TYR N N 37 115.014 115.014 117.898 -2.884 17707
6008 1 15 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.348 -0.041 17707
6009 1 15 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.825 -3.591 17707
6010 1 15 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.093 -2.458 17707
6011 1 15 . 1 1 71 71 TYR H H 37 7.611 7.611 7.674 -0.063 17707
6012 1 15 . 1 1 72 72 GLY N N 38 104.741 104.741 104.944 -0.203 17707
6013 1 15 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.135 -3.506 17707
6014 1 15 . 1 1 72 72 GLY H H 38 7.356 7.356 7.878 -0.522 17707
6015 1 15 . 1 1 73 73 ARG N N 39 115.783 115.783 119.590 -3.807 17707
6016 1 15 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.563 -0.195 17707
6017 1 15 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.353 -0.650 17707
6018 1 15 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.830 -4.978 17707
6019 1 15 . 1 1 73 73 ARG H H 39 7.990 7.990 7.906 0.084 17707
6020 1 15 . 1 1 74 74 VAL N N 40 130.246 130.246 117.273 12.973 17707
6021 1 15 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.796 -0.097 17707
6022 1 15 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.068 -1.585 17707
6023 1 15 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.912 -4.613 17707
6024 1 15 . 1 1 74 74 VAL H H 40 8.846 8.846 8.347 0.499 17707
6025 1 15 . 1 1 75 75 GLY N N 41 114.952 114.952 111.202 3.750 17707
6026 1 15 . 1 1 75 75 GLY CA C 41 42.905 42.905 44.509 -1.604 17707
6027 1 15 . 1 1 75 75 GLY H H 41 8.943 8.943 8.829 0.114 17707
6028 1 15 . 1 1 76 76 ASP N N 42 115.344 115.344 118.560 -3.216 17707
6029 1 15 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.761 -0.050 17707
6030 1 15 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.443 -0.929 17707
6031 1 15 . 1 1 76 76 ASP H H 42 7.224 7.224 7.499 -0.275 17707
6032 1 15 . 1 1 77 77 VAL N N 43 122.703 122.703 123.216 -0.513 17707
6033 1 15 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.859 -0.136 17707
6034 1 15 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.399 -2.052 17707
6035 1 15 . 1 1 77 77 VAL CB C 43 32.582 32.582 32.836 -0.254 17707
6036 1 15 . 1 1 77 77 VAL H H 43 7.551 7.551 8.531 -0.980 17707
6037 1 15 . 1 1 78 78 TYR N N 44 125.956 125.956 126.825 -0.869 17707
6038 1 15 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.985 -0.014 17707
6039 1 15 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.699 -2.393 17707
6040 1 15 . 1 1 78 78 TYR H H 44 9.023 9.023 8.488 0.535 17707
6041 1 15 . 1 1 79 79 ILE N N 45 129.856 129.856 120.056 9.800 17707
6042 1 15 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.356 -0.100 17707
6043 1 15 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.918 -2.520 17707
6044 1 15 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.788 -3.474 17707
6045 1 15 . 1 1 79 79 ILE H H 45 8.231 8.231 8.129 0.102 17707
6046 1 15 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.155 -0.251 17707
6047 1 15 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.023 -3.382 17707
6048 1 15 . 1 1 81 81 ARG H H 47 8.593 8.593 8.328 0.265 17707
6049 1 15 . 1 1 82 82 ASP N N 48 125.712 125.712 118.743 6.969 17707
6050 1 15 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.634 -0.252 17707
6051 1 15 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.189 -0.730 17707
6052 1 15 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.502 -0.194 17707
6053 1 15 . 1 1 82 82 ASP H H 48 8.948 8.948 8.376 0.572 17707
6054 1 15 . 1 1 83 83 ARG N N 49 125.207 125.207 119.107 6.100 17707
6055 1 15 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.873 -0.177 17707
6056 1 15 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.431 -2.817 17707
6057 1 15 . 1 1 83 83 ARG H H 49 8.688 8.688 8.018 0.670 17707
6058 1 15 . 1 1 84 84 TYR N N 50 117.911 117.911 112.642 5.269 17707
6059 1 15 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.771 -0.177 17707
6060 1 15 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.213 -0.447 17707
6061 1 15 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.633 -3.446 17707
6062 1 15 . 1 1 84 84 TYR H H 50 8.449 8.449 7.589 0.860 17707
6063 1 15 . 1 1 85 85 THR N N 51 110.450 110.450 110.294 0.156 17707
6064 1 15 . 1 1 85 85 THR HA H 51 4.230 4.230 4.185 0.045 17707
6065 1 15 . 1 1 85 85 THR CA C 51 59.620 59.620 61.436 -1.816 17707
6066 1 15 . 1 1 85 85 THR CB C 51 67.745 67.745 69.751 -2.006 17707
6067 1 15 . 1 1 85 85 THR H H 51 9.141 9.141 7.701 1.440 17707
6068 1 15 . 1 1 86 86 LYS N N 52 113.570 113.570 117.677 -4.107 17707
6069 1 15 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.816 0.139 17707
6070 1 15 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.759 -3.331 17707
6071 1 15 . 1 1 86 86 LYS H H 52 7.821 7.821 8.165 -0.344 17707
6072 1 15 . 1 1 87 87 GLU N N 53 118.364 118.364 117.419 0.945 17707
6073 1 15 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.023 0.357 17707
6074 1 15 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.681 -4.040 17707
6075 1 15 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.688 -0.847 17707
6076 1 15 . 1 1 87 87 GLU H H 53 7.714 7.714 7.511 0.203 17707
6077 1 15 . 1 1 88 88 SER N N 54 115.692 115.692 113.384 2.308 17707
6078 1 15 . 1 1 88 88 SER CB C 54 61.369 61.369 63.284 -1.915 17707
6079 1 15 . 1 1 88 88 SER H H 54 8.705 8.705 7.869 0.836 17707
6080 1 15 . 1 1 89 89 ARG N N 55 122.170 122.170 121.292 0.878 17707
6081 1 15 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.585 -0.268 17707
6082 1 15 . 1 1 89 89 ARG CA C 55 53.794 53.794 54.911 -1.117 17707
6083 1 15 . 1 1 89 89 ARG H H 55 7.934 7.934 8.557 -0.623 17707
6084 1 15 . 1 1 90 90 GLY N N 56 106.948 106.948 108.950 -2.002 17707
6085 1 15 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.510 -2.235 17707
6086 1 15 . 1 1 90 90 GLY H H 56 8.557 8.557 7.954 0.603 17707
6087 1 15 . 1 1 91 91 PHE N N 57 113.487 113.487 113.723 -0.236 17707
6088 1 15 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.965 0.627 17707
6089 1 15 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.928 -3.017 17707
6090 1 15 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.987 -1.210 17707
6091 1 15 . 1 1 91 91 PHE H H 57 6.936 6.936 7.101 -0.165 17707
6092 1 15 . 1 1 92 92 ALA N N 58 117.841 117.841 122.203 -4.362 17707
6093 1 15 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.665 0.083 17707
6094 1 15 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.331 -4.796 17707
6095 1 15 . 1 1 92 92 ALA CB C 58 23.598 23.598 21.150 2.448 17707
6096 1 15 . 1 1 92 92 ALA H H 58 8.848 8.848 8.339 0.509 17707
6097 1 15 . 1 1 93 93 PHE N N 59 115.981 115.981 127.691 -11.710 17707
6098 1 15 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.887 0.786 17707
6099 1 15 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.143 -4.281 17707
6100 1 15 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.009 -2.111 17707
6101 1 15 . 1 1 93 93 PHE H H 59 8.824 8.824 8.247 0.577 17707
6102 1 15 . 1 1 94 94 VAL N N 60 123.120 123.120 128.108 -4.988 17707
6103 1 15 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.639 -0.335 17707
6104 1 15 . 1 1 94 94 VAL CA C 60 58.931 58.931 60.713 -1.782 17707
6105 1 15 . 1 1 94 94 VAL CB C 60 31.429 31.429 34.280 -2.851 17707
6106 1 15 . 1 1 94 94 VAL H H 60 8.581 8.581 7.726 0.855 17707
6107 1 15 . 1 1 95 95 ARG N N 61 123.954 123.954 120.808 3.146 17707
6108 1 15 . 1 1 95 95 ARG HA H 61 5.552 5.552 4.907 0.645 17707
6109 1 15 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.567 -4.052 17707
6110 1 15 . 1 1 95 95 ARG H H 61 8.727 8.727 8.774 -0.047 17707
6111 1 15 . 1 1 96 96 PHE N N 62 121.921 121.921 122.958 -1.037 17707
6112 1 15 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.580 0.323 17707
6113 1 15 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.906 -1.340 17707
6114 1 15 . 1 1 96 96 PHE CB C 62 39.886 39.886 41.767 -1.881 17707
6115 1 15 . 1 1 96 96 PHE H H 62 9.127 9.127 8.300 0.827 17707
6116 1 15 . 1 1 97 97 HIS N N 63 120.064 120.064 112.695 7.369 17707
6117 1 15 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.981 -0.643 17707
6118 1 15 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.927 1.334 17707
6119 1 15 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.436 -5.148 17707
6120 1 15 . 1 1 97 97 HIS H H 63 7.982 7.982 9.016 -1.034 17707
6121 1 15 . 1 1 98 98 ASP N N 64 119.665 119.665 122.435 -2.770 17707
6122 1 15 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.887 0.172 17707
6123 1 15 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.648 -4.453 17707
6124 1 15 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.309 -1.211 17707
6125 1 15 . 1 1 98 98 ASP H H 64 9.096 9.096 8.453 0.643 17707
6126 1 15 . 1 1 99 99 LYS N N 65 127.804 127.804 127.351 0.453 17707
6127 1 15 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.912 -0.067 17707
6128 1 15 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.673 -2.277 17707
6129 1 15 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.376 -2.130 17707
6130 1 15 . 1 1 99 99 LYS H H 65 8.784 8.784 8.915 -0.131 17707
6131 1 15 . 1 1 100 100 ARG N N 66 118.451 118.451 116.747 1.704 17707
6132 1 15 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.083 -0.013 17707
6133 1 15 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.918 -2.779 17707
6134 1 15 . 1 1 100 100 ARG CB C 66 26.766 26.766 29.096 -2.330 17707
6135 1 15 . 1 1 100 100 ARG H H 66 8.600 8.600 8.870 -0.270 17707
6136 1 15 . 1 1 101 101 ASP N N 67 119.627 119.627 116.646 2.981 17707
6137 1 15 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.766 -0.572 17707
6138 1 15 . 1 1 101 101 ASP CA C 67 54.233 54.233 55.541 -1.308 17707
6139 1 15 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.708 -2.712 17707
6140 1 15 . 1 1 101 101 ASP H H 67 7.089 7.089 7.818 -0.729 17707
6141 1 15 . 1 1 102 102 ALA N N 68 119.421 119.421 124.329 -4.908 17707
6142 1 15 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.495 -0.531 17707
6143 1 15 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.234 -3.531 17707
6144 1 15 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.803 -3.135 17707
6145 1 15 . 1 1 102 102 ALA H H 68 6.832 6.832 7.786 -0.954 17707
6146 1 15 . 1 1 103 103 GLU N N 69 117.506 117.506 116.450 1.056 17707
6147 1 15 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.985 -0.327 17707
6148 1 15 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.522 -1.360 17707
6149 1 15 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.361 -2.936 17707
6150 1 15 . 1 1 103 103 GLU H H 69 8.011 8.011 8.457 -0.446 17707
6151 1 15 . 1 1 104 104 ASP N N 70 120.487 120.487 120.667 -0.180 17707
6152 1 15 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.441 -0.175 17707
6153 1 15 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.788 -2.300 17707
6154 1 15 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.082 -3.620 17707
6155 1 15 . 1 1 104 104 ASP H H 70 8.020 8.020 7.601 0.419 17707
6156 1 15 . 1 1 105 105 ALA N N 71 122.179 122.179 120.616 1.563 17707
6157 1 15 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.203 -0.428 17707
6158 1 15 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.513 -2.768 17707
6159 1 15 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.506 -1.298 17707
6160 1 15 . 1 1 105 105 ALA H H 71 8.118 8.118 7.437 0.681 17707
6161 1 15 . 1 1 106 106 MET N N 72 118.380 118.380 115.074 3.306 17707
6162 1 15 . 1 1 106 106 MET HA H 72 3.655 3.655 4.185 -0.530 17707
6163 1 15 . 1 1 106 106 MET CA C 72 57.188 57.188 58.568 -1.380 17707
6164 1 15 . 1 1 106 106 MET CB C 72 30.409 30.409 32.638 -2.228 17707
6165 1 15 . 1 1 106 106 MET H H 72 8.279 8.279 7.424 0.855 17707
6166 1 15 . 1 1 107 107 ASP N N 73 117.030 117.030 120.030 -3.000 17707
6167 1 15 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.530 -0.203 17707
6168 1 15 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.736 -1.677 17707
6169 1 15 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.850 -2.757 17707
6170 1 15 . 1 1 107 107 ASP H H 73 7.749 7.749 7.731 0.018 17707
6171 1 15 . 1 1 108 108 ALA N N 74 117.995 117.995 119.077 -1.082 17707
6172 1 15 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.617 -0.493 17707
6173 1 15 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.747 -1.413 17707
6174 1 15 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.457 -2.798 17707
6175 1 15 . 1 1 108 108 ALA H H 74 7.347 7.347 7.394 -0.047 17707
6176 1 15 . 1 1 109 109 MET N N 75 112.202 112.202 116.423 -4.221 17707
6177 1 15 . 1 1 109 109 MET HA H 75 4.742 4.742 4.514 0.228 17707
6178 1 15 . 1 1 109 109 MET CA C 75 50.546 50.546 55.399 -4.853 17707
6179 1 15 . 1 1 109 109 MET H H 75 8.057 8.057 7.599 0.458 17707
6180 1 15 . 1 1 110 110 ASP N N 76 120.043 120.043 121.107 -1.064 17707
6181 1 15 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.479 -0.093 17707
6182 1 15 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.096 -1.151 17707
6183 1 15 . 1 1 110 110 ASP CB C 76 38.604 38.604 40.974 -2.369 17707
6184 1 15 . 1 1 110 110 ASP H H 76 7.825 7.825 7.559 0.266 17707
6185 1 15 . 1 1 111 111 GLY N N 77 117.743 117.743 111.790 5.953 17707
6186 1 15 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.639 -2.623 17707
6187 1 15 . 1 1 111 111 GLY H H 77 8.636 8.636 7.842 0.794 17707
6188 1 15 . 1 1 112 112 ALA N N 78 123.755 123.755 122.418 1.337 17707
6189 1 15 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.391 -0.072 17707
6190 1 15 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.490 -2.454 17707
6191 1 15 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.004 -0.556 17707
6192 1 15 . 1 1 112 112 ALA H H 78 7.909 7.909 7.832 0.077 17707
6193 1 15 . 1 1 113 113 VAL N N 79 118.703 118.703 119.891 -1.188 17707
6194 1 15 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.967 0.646 17707
6195 1 15 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.584 -3.012 17707
6196 1 15 . 1 1 113 113 VAL H H 79 8.083 8.083 7.543 0.540 17707
6197 1 15 . 1 1 114 114 LEU N N 80 129.473 129.473 118.120 11.353 17707
6198 1 15 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.804 -0.261 17707
6199 1 15 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.546 -3.604 17707
6200 1 15 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.046 -0.461 17707
6201 1 15 . 1 1 114 114 LEU H H 80 8.895 8.895 8.016 0.879 17707
6202 1 15 . 1 1 115 115 ASP N N 81 129.660 129.660 118.375 11.285 17707
6203 1 15 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.949 -0.720 17707
6204 1 15 . 1 1 115 115 ASP CA C 81 52.252 52.252 55.292 -3.040 17707
6205 1 15 . 1 1 115 115 ASP CB C 81 37.272 37.272 42.312 -5.040 17707
6206 1 15 . 1 1 115 115 ASP H H 81 9.428 9.428 8.457 0.971 17707
6207 1 15 . 1 1 116 116 GLY N N 82 100.557 100.557 108.093 -7.536 17707
6208 1 15 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.163 -2.282 17707
6209 1 15 . 1 1 116 116 GLY H H 82 7.978 7.978 7.966 0.012 17707
6210 1 15 . 1 1 117 117 ARG N N 83 120.104 120.104 118.533 1.571 17707
6211 1 15 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.496 0.054 17707
6212 1 15 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.825 -4.719 17707
6213 1 15 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.527 -0.882 17707
6214 1 15 . 1 1 117 117 ARG H H 83 7.493 7.493 7.581 -0.088 17707
6215 1 15 . 1 1 118 118 GLU N N 84 121.206 121.206 119.027 2.179 17707
6216 1 15 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.602 -0.299 17707
6217 1 15 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.198 -2.769 17707
6218 1 15 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.281 -5.155 17707
6219 1 15 . 1 1 118 118 GLU H H 84 8.352 8.352 8.577 -0.225 17707
6220 1 15 . 1 1 119 119 LEU N N 85 127.970 127.970 118.114 9.856 17707
6221 1 15 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.655 -0.093 17707
6222 1 15 . 1 1 119 119 LEU CA C 85 52.523 52.523 54.383 -1.860 17707
6223 1 15 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.944 -5.133 17707
6224 1 15 . 1 1 119 119 LEU H H 85 9.349 9.349 7.705 1.644 17707
6225 1 15 . 1 1 120 120 ARG N N 86 121.001 121.001 119.768 1.233 17707
6226 1 15 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.067 0.107 17707
6227 1 15 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.888 -3.293 17707
6228 1 15 . 1 1 120 120 ARG CB C 86 29.692 29.692 33.735 -4.043 17707
6229 1 15 . 1 1 120 120 ARG H H 86 7.512 7.512 8.335 -0.823 17707
6230 1 15 . 1 1 121 121 VAL N N 87 125.999 125.999 123.998 2.001 17707
6231 1 15 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.920 0.018 17707
6232 1 15 . 1 1 121 121 VAL CA C 87 58.766 58.766 59.619 -0.853 17707
6233 1 15 . 1 1 121 121 VAL H H 87 9.437 9.437 8.176 1.261 17707
6234 1 15 . 1 1 122 122 GLN N N 88 121.684 121.684 123.119 -1.435 17707
6235 1 15 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.591 0.378 17707
6236 1 15 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.002 -3.103 17707
6237 1 15 . 1 1 122 122 GLN CB C 88 31.157 31.157 31.487 -0.330 17707
6238 1 15 . 1 1 122 122 GLN H H 88 8.301 8.301 8.557 -0.256 17707
6239 1 15 . 1 1 123 123 MET N N 89 121.937 121.937 119.065 2.872 17707
6240 1 15 . 1 1 123 123 MET HA H 89 4.529 4.529 4.322 0.207 17707
6241 1 15 . 1 1 123 123 MET CA C 89 53.328 53.328 55.245 -1.917 17707
6242 1 15 . 1 1 123 123 MET CB C 89 28.750 28.750 32.507 -3.757 17707
6243 1 15 . 1 1 123 123 MET H H 89 8.714 8.714 8.662 0.052 17707
6244 1 15 . 1 1 124 124 ALA N N 90 126.984 126.984 127.001 -0.017 17707
6245 1 15 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.349 0.068 17707
6246 1 15 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.289 -2.486 17707
6247 1 15 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.881 -4.628 17707
6248 1 15 . 1 1 124 124 ALA H H 90 8.437 8.437 8.183 0.254 17707
6249 1 15 . 1 1 125 125 ARG H H 91 9.886 9.886 8.845 1.041 17707
6250 1 15 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.238 -2.502 17707
6251 1 15 . 1 1 128 128 ARG N N 94 120.921 120.921 120.207 0.714 17707
6252 1 15 . 1 1 128 128 ARG H H 94 8.245 8.245 8.273 -0.028 17707
6253 1 15 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.410 0.183 17707
6254 1 15 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.715 -3.725 17707
6255 1 15 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.380 -0.063 17707
6256 1 15 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.690 -3.295 17707
6257 1 15 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.618 -3.357 17707
6258 1 15 . 1 1 131 131 ASP N N 97 119.855 119.855 117.053 2.802 17707
6259 1 15 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.754 -0.262 17707
6260 1 15 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.316 -1.901 17707
6261 1 15 . 1 1 131 131 ASP CB C 97 38.553 38.553 43.248 -4.695 17707
6262 1 15 . 1 1 131 131 ASP H H 97 8.196 8.196 7.705 0.491 17707
6263 1 15 . 1 1 132 132 SER N N 98 116.150 116.150 115.895 0.255 17707
6264 1 15 . 1 1 132 132 SER HA H 98 4.286 4.286 4.419 -0.133 17707
6265 1 15 . 1 1 132 132 SER CA C 98 55.729 55.729 60.838 -5.109 17707
6266 1 15 . 1 1 132 132 SER CB C 98 61.088 61.088 63.759 -2.671 17707
6267 1 15 . 1 1 132 132 SER H H 98 8.070 8.070 8.604 -0.534 17707
6268 1 15 . 1 1 133 133 HIS N N 99 119.771 119.771 114.992 4.779 17707
6269 1 15 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.973 -3.906 17707
6270 1 15 . 1 1 133 133 HIS H H 99 8.322 8.322 8.289 0.033 17707
6271 1 16 . 1 1 36 36 SER N N 2 116.365 116.365 118.959 -2.594 17707
6272 1 16 . 1 1 36 36 SER HA H 2 4.398 4.398 4.253 0.145 17707
6273 1 16 . 1 1 36 36 SER CA C 2 55.706 55.706 58.690 -2.984 17707
6274 1 16 . 1 1 36 36 SER CB C 2 61.260 61.260 63.861 -2.601 17707
6275 1 16 . 1 1 36 36 SER H H 2 8.112 8.112 8.493 -0.381 17707
6276 1 16 . 1 1 37 37 TYR N N 3 121.885 121.885 116.021 5.864 17707
6277 1 16 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.136 0.498 17707
6278 1 16 . 1 1 37 37 TYR CB C 3 36.183 36.183 36.273 -0.090 17707
6279 1 16 . 1 1 37 37 TYR H H 3 8.155 8.155 8.292 -0.137 17707
6280 1 16 . 1 1 38 38 GLY N N 4 109.771 109.771 107.737 2.034 17707
6281 1 16 . 1 1 38 38 GLY H H 4 8.332 8.332 7.787 0.545 17707
6282 1 16 . 1 1 39 39 ARG N N 5 121.087 121.087 120.845 0.242 17707
6283 1 16 . 1 1 39 39 ARG HA H 5 4.541 4.541 3.987 0.554 17707
6284 1 16 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.029 -4.834 17707
6285 1 16 . 1 1 39 39 ARG H H 5 8.224 8.224 7.826 0.398 17707
6286 1 16 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.581 -0.342 17707
6287 1 16 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.822 -3.429 17707
6288 1 16 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.691 -0.307 17707
6289 1 16 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.099 -3.527 17707
6290 1 16 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.716 -0.443 17707
6291 1 16 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.560 -2.429 17707
6292 1 16 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.216 -4.119 17707
6293 1 16 . 1 1 43 43 ASP N N 9 119.118 119.118 115.434 3.684 17707
6294 1 16 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.664 -0.152 17707
6295 1 16 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.751 -2.210 17707
6296 1 16 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.309 -3.810 17707
6297 1 16 . 1 1 43 43 ASP H H 9 8.425 8.425 8.345 0.080 17707
6298 1 16 . 1 1 44 44 VAL N N 10 118.278 118.278 117.613 0.665 17707
6299 1 16 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.898 0.308 17707
6300 1 16 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.650 -5.487 17707
6301 1 16 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.366 -2.368 17707
6302 1 16 . 1 1 44 44 VAL H H 10 7.882 7.882 7.978 -0.096 17707
6303 1 16 . 1 1 45 45 GLU N N 11 123.222 123.222 120.283 2.939 17707
6304 1 16 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.250 -0.202 17707
6305 1 16 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.058 -1.211 17707
6306 1 16 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.798 -2.351 17707
6307 1 16 . 1 1 45 45 GLU H H 11 8.328 8.328 8.666 -0.338 17707
6308 1 16 . 1 1 46 46 GLY N N 12 108.993 108.993 108.424 0.569 17707
6309 1 16 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.255 -2.556 17707
6310 1 16 . 1 1 46 46 GLY H H 12 8.361 8.361 8.009 0.352 17707
6311 1 16 . 1 1 47 47 MET N N 13 118.074 118.074 117.696 0.378 17707
6312 1 16 . 1 1 47 47 MET HA H 13 4.584 4.584 4.953 -0.369 17707
6313 1 16 . 1 1 47 47 MET CB C 13 31.447 31.447 34.226 -2.779 17707
6314 1 16 . 1 1 47 47 MET H H 13 7.493 7.493 7.523 -0.030 17707
6315 1 16 . 1 1 48 48 THR N N 14 118.968 118.968 116.678 2.290 17707
6316 1 16 . 1 1 48 48 THR HA H 14 4.534 4.534 4.124 0.410 17707
6317 1 16 . 1 1 48 48 THR CA C 14 60.656 60.656 65.567 -4.911 17707
6318 1 16 . 1 1 48 48 THR CB C 14 67.544 67.544 68.863 -1.319 17707
6319 1 16 . 1 1 48 48 THR H H 14 8.993 8.993 8.607 0.386 17707
6320 1 16 . 1 1 49 49 SER N N 15 123.365 123.365 114.667 8.698 17707
6321 1 16 . 1 1 49 49 SER HA H 15 5.017 5.017 4.126 0.891 17707
6322 1 16 . 1 1 49 49 SER CB C 15 61.787 61.787 61.874 -0.087 17707
6323 1 16 . 1 1 49 49 SER H H 15 9.097 9.097 7.891 1.206 17707
6324 1 16 . 1 1 50 50 LEU N N 16 124.488 124.488 121.456 3.032 17707
6325 1 16 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.135 0.873 17707
6326 1 16 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.958 -5.599 17707
6327 1 16 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.355 -2.253 17707
6328 1 16 . 1 1 50 50 LEU H H 16 9.495 9.495 7.499 1.996 17707
6329 1 16 . 1 1 51 51 LYS N N 17 123.276 123.276 117.748 5.528 17707
6330 1 16 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.268 -0.387 17707
6331 1 16 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.208 -1.783 17707
6332 1 16 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.291 -3.960 17707
6333 1 16 . 1 1 51 51 LYS H H 17 9.239 9.239 8.614 0.625 17707
6334 1 16 . 1 1 52 52 VAL N N 18 130.086 130.086 119.731 10.355 17707
6335 1 16 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.715 0.059 17707
6336 1 16 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.871 -2.645 17707
6337 1 16 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.423 -4.502 17707
6338 1 16 . 1 1 52 52 VAL H H 18 9.136 9.136 7.634 1.502 17707
6339 1 16 . 1 1 53 53 ASP N N 19 125.621 125.621 123.057 2.564 17707
6340 1 16 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.122 0.056 17707
6341 1 16 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.852 -2.238 17707
6342 1 16 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.204 -2.657 17707
6343 1 16 . 1 1 53 53 ASP H H 19 9.312 9.312 8.859 0.453 17707
6344 1 16 . 1 1 54 54 ASN N N 20 112.496 112.496 115.191 -2.695 17707
6345 1 16 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.471 0.006 17707
6346 1 16 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.793 -2.777 17707
6347 1 16 . 1 1 54 54 ASN CB C 20 34.619 34.619 38.107 -3.488 17707
6348 1 16 . 1 1 54 54 ASN H H 20 8.438 8.438 8.725 -0.287 17707
6349 1 16 . 1 1 55 55 LEU N N 21 114.844 114.844 120.047 -5.203 17707
6350 1 16 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.284 0.079 17707
6351 1 16 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.027 -5.020 17707
6352 1 16 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.976 0.040 17707
6353 1 16 . 1 1 55 55 LEU H H 21 7.477 7.477 7.900 -0.423 17707
6354 1 16 . 1 1 56 56 THR N N 22 111.571 111.571 119.229 -7.658 17707
6355 1 16 . 1 1 56 56 THR HA H 22 4.361 4.361 4.481 -0.120 17707
6356 1 16 . 1 1 56 56 THR CA C 22 58.212 58.212 61.851 -3.639 17707
6357 1 16 . 1 1 56 56 THR CB C 22 68.233 68.233 70.360 -2.127 17707
6358 1 16 . 1 1 56 56 THR H H 22 8.341 8.341 8.055 0.286 17707
6359 1 16 . 1 1 57 57 TYR N N 23 122.008 122.008 119.584 2.424 17707
6360 1 16 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.401 -0.091 17707
6361 1 16 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.459 -2.883 17707
6362 1 16 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.417 -3.232 17707
6363 1 16 . 1 1 57 57 TYR H H 23 8.587 8.587 8.847 -0.260 17707
6364 1 16 . 1 1 58 58 ARG N N 24 114.767 114.767 116.719 -1.952 17707
6365 1 16 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.661 -0.398 17707
6366 1 16 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.559 -2.463 17707
6367 1 16 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.398 -2.994 17707
6368 1 16 . 1 1 58 58 ARG H H 24 7.262 7.262 7.845 -0.583 17707
6369 1 16 . 1 1 59 59 THR N N 25 119.267 119.267 116.656 2.611 17707
6370 1 16 . 1 1 59 59 THR HA H 25 4.015 4.015 4.627 -0.612 17707
6371 1 16 . 1 1 59 59 THR CA C 25 62.247 62.247 61.078 1.169 17707
6372 1 16 . 1 1 59 59 THR CB C 25 65.785 65.785 70.976 -5.191 17707
6373 1 16 . 1 1 59 59 THR H H 25 7.348 7.348 7.582 -0.234 17707
6374 1 16 . 1 1 60 60 SER N N 26 124.341 124.341 115.480 8.861 17707
6375 1 16 . 1 1 60 60 SER HA H 26 4.861 4.861 4.989 -0.128 17707
6376 1 16 . 1 1 60 60 SER CA C 26 52.864 52.864 55.222 -2.358 17707
6377 1 16 . 1 1 60 60 SER CB C 26 61.783 61.783 64.804 -3.021 17707
6378 1 16 . 1 1 60 60 SER H H 26 8.319 8.319 8.051 0.268 17707
6379 1 16 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.349 -0.339 17707
6380 1 16 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.134 -2.051 17707
6381 1 16 . 1 1 62 62 ASP N N 28 115.615 115.615 117.413 -1.798 17707
6382 1 16 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.445 -0.069 17707
6383 1 16 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.556 -2.875 17707
6384 1 16 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.799 -2.547 17707
6385 1 16 . 1 1 62 62 ASP H H 28 8.020 8.020 8.452 -0.432 17707
6386 1 16 . 1 1 63 63 THR N N 29 118.079 118.079 116.925 1.154 17707
6387 1 16 . 1 1 63 63 THR HA H 29 3.902 3.902 4.152 -0.250 17707
6388 1 16 . 1 1 63 63 THR CA C 29 63.729 63.729 66.575 -2.845 17707
6389 1 16 . 1 1 63 63 THR CB C 29 65.634 65.634 68.942 -3.308 17707
6390 1 16 . 1 1 63 63 THR H H 29 7.766 7.766 7.444 0.322 17707
6391 1 16 . 1 1 64 64 LEU N N 30 118.985 118.985 120.597 -1.612 17707
6392 1 16 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.222 -0.169 17707
6393 1 16 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.688 -2.710 17707
6394 1 16 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.799 -0.968 17707
6395 1 16 . 1 1 64 64 LEU H H 30 7.495 7.495 8.441 -0.946 17707
6396 1 16 . 1 1 65 65 ARG N N 31 119.245 119.245 119.824 -0.579 17707
6397 1 16 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.194 -0.550 17707
6398 1 16 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.800 -0.444 17707
6399 1 16 . 1 1 65 65 ARG H H 31 8.583 8.583 7.727 0.856 17707
6400 1 16 . 1 1 66 66 ARG N N 32 115.695 115.695 118.033 -2.338 17707
6401 1 16 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.235 -0.163 17707
6402 1 16 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.234 -1.560 17707
6403 1 16 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.291 -1.733 17707
6404 1 16 . 1 1 66 66 ARG H H 32 7.707 7.707 7.920 -0.213 17707
6405 1 16 . 1 1 67 67 VAL N N 33 115.500 115.500 117.650 -2.150 17707
6406 1 16 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.123 -0.231 17707
6407 1 16 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.891 -2.236 17707
6408 1 16 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.475 -2.919 17707
6409 1 16 . 1 1 67 67 VAL H H 33 7.739 7.739 7.930 -0.191 17707
6410 1 16 . 1 1 68 68 PHE N N 34 116.290 116.290 117.313 -1.023 17707
6411 1 16 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.981 -0.483 17707
6412 1 16 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.736 0.291 17707
6413 1 16 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.752 -4.560 17707
6414 1 16 . 1 1 68 68 PHE H H 34 8.253 8.253 7.731 0.522 17707
6415 1 16 . 1 1 69 69 GLU N N 35 119.333 119.333 121.623 -2.290 17707
6416 1 16 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.065 0.970 17707
6417 1 16 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.330 -4.348 17707
6418 1 16 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.565 -3.391 17707
6419 1 16 . 1 1 69 69 GLU H H 35 8.583 8.583 8.432 0.150 17707
6420 1 16 . 1 1 70 70 LYS N N 36 118.341 118.341 117.010 1.331 17707
6421 1 16 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.135 -0.243 17707
6422 1 16 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.382 -2.923 17707
6423 1 16 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.302 -2.078 17707
6424 1 16 . 1 1 70 70 LYS H H 36 6.871 6.871 8.417 -1.546 17707
6425 1 16 . 1 1 71 71 TYR N N 37 115.014 115.014 118.461 -3.447 17707
6426 1 16 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.353 -0.046 17707
6427 1 16 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.022 -3.788 17707
6428 1 16 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.958 -2.323 17707
6429 1 16 . 1 1 71 71 TYR H H 37 7.611 7.611 7.686 -0.075 17707
6430 1 16 . 1 1 72 72 GLY N N 38 104.741 104.741 105.660 -0.919 17707
6431 1 16 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.411 -3.782 17707
6432 1 16 . 1 1 72 72 GLY H H 38 7.356 7.356 8.026 -0.670 17707
6433 1 16 . 1 1 73 73 ARG N N 39 115.783 115.783 118.571 -2.788 17707
6434 1 16 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.582 -0.214 17707
6435 1 16 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.258 -0.555 17707
6436 1 16 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.693 -4.841 17707
6437 1 16 . 1 1 73 73 ARG H H 39 7.990 7.990 8.117 -0.127 17707
6438 1 16 . 1 1 74 74 VAL N N 40 130.246 130.246 119.408 10.838 17707
6439 1 16 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.765 -0.066 17707
6440 1 16 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.925 -1.442 17707
6441 1 16 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.988 -4.689 17707
6442 1 16 . 1 1 74 74 VAL H H 40 8.846 8.846 8.470 0.376 17707
6443 1 16 . 1 1 75 75 GLY N N 41 114.952 114.952 114.135 0.817 17707
6444 1 16 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.693 -2.788 17707
6445 1 16 . 1 1 75 75 GLY H H 41 8.943 8.943 8.306 0.637 17707
6446 1 16 . 1 1 76 76 ASP N N 42 115.344 115.344 118.095 -2.751 17707
6447 1 16 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.875 -0.163 17707
6448 1 16 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.372 -0.858 17707
6449 1 16 . 1 1 76 76 ASP H H 42 7.224 7.224 7.459 -0.235 17707
6450 1 16 . 1 1 77 77 VAL N N 43 122.703 122.703 116.504 6.199 17707
6451 1 16 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.438 0.285 17707
6452 1 16 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.772 -1.425 17707
6453 1 16 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.714 -2.132 17707
6454 1 16 . 1 1 77 77 VAL H H 43 7.551 7.551 8.338 -0.787 17707
6455 1 16 . 1 1 78 78 TYR N N 44 125.956 125.956 125.407 0.549 17707
6456 1 16 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.626 0.345 17707
6457 1 16 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.459 -4.154 17707
6458 1 16 . 1 1 78 78 TYR H H 44 9.023 9.023 8.046 0.977 17707
6459 1 16 . 1 1 79 79 ILE N N 45 129.856 129.856 123.153 6.703 17707
6460 1 16 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.098 0.158 17707
6461 1 16 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.541 -2.143 17707
6462 1 16 . 1 1 79 79 ILE CB C 45 36.314 36.314 40.407 -4.093 17707
6463 1 16 . 1 1 79 79 ILE H H 45 8.231 8.231 7.989 0.242 17707
6464 1 16 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.029 -0.125 17707
6465 1 16 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.794 -3.153 17707
6466 1 16 . 1 1 81 81 ARG H H 47 8.593 8.593 8.370 0.223 17707
6467 1 16 . 1 1 82 82 ASP N N 48 125.712 125.712 118.575 7.137 17707
6468 1 16 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.082 0.300 17707
6469 1 16 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.649 -3.190 17707
6470 1 16 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.676 1.632 17707
6471 1 16 . 1 1 82 82 ASP H H 48 8.948 8.948 8.549 0.399 17707
6472 1 16 . 1 1 83 83 ARG N N 49 125.207 125.207 114.989 10.218 17707
6473 1 16 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.002 -0.306 17707
6474 1 16 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.055 -2.441 17707
6475 1 16 . 1 1 83 83 ARG H H 49 8.688 8.688 8.624 0.064 17707
6476 1 16 . 1 1 84 84 TYR N N 50 117.911 117.911 109.470 8.441 17707
6477 1 16 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.903 -0.309 17707
6478 1 16 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.554 -0.788 17707
6479 1 16 . 1 1 84 84 TYR CB C 50 36.187 36.187 37.947 -1.760 17707
6480 1 16 . 1 1 84 84 TYR H H 50 8.449 8.449 6.880 1.569 17707
6481 1 16 . 1 1 85 85 THR N N 51 110.450 110.450 113.474 -3.024 17707
6482 1 16 . 1 1 85 85 THR HA H 51 4.230 4.230 4.302 -0.072 17707
6483 1 16 . 1 1 85 85 THR CA C 51 59.620 59.620 62.357 -2.737 17707
6484 1 16 . 1 1 85 85 THR CB C 51 67.745 67.745 69.997 -2.252 17707
6485 1 16 . 1 1 85 85 THR H H 51 9.141 9.141 7.204 1.937 17707
6486 1 16 . 1 1 86 86 LYS N N 52 113.570 113.570 117.987 -4.417 17707
6487 1 16 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.800 0.155 17707
6488 1 16 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.676 -3.248 17707
6489 1 16 . 1 1 86 86 LYS H H 52 7.821 7.821 7.894 -0.073 17707
6490 1 16 . 1 1 87 87 GLU N N 53 118.364 118.364 119.938 -1.574 17707
6491 1 16 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.193 0.187 17707
6492 1 16 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.833 -4.191 17707
6493 1 16 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.463 -1.622 17707
6494 1 16 . 1 1 87 87 GLU H H 53 7.714 7.714 7.729 -0.015 17707
6495 1 16 . 1 1 88 88 SER N N 54 115.692 115.692 112.980 2.712 17707
6496 1 16 . 1 1 88 88 SER CB C 54 61.369 61.369 63.943 -2.574 17707
6497 1 16 . 1 1 88 88 SER H H 54 8.705 8.705 8.185 0.520 17707
6498 1 16 . 1 1 89 89 ARG N N 55 122.170 122.170 123.549 -1.379 17707
6499 1 16 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.577 -0.260 17707
6500 1 16 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.270 -2.476 17707
6501 1 16 . 1 1 89 89 ARG H H 55 7.934 7.934 8.806 -0.872 17707
6502 1 16 . 1 1 90 90 GLY N N 56 106.948 106.948 108.853 -1.905 17707
6503 1 16 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.355 -2.080 17707
6504 1 16 . 1 1 90 90 GLY H H 56 8.557 8.557 7.984 0.573 17707
6505 1 16 . 1 1 91 91 PHE N N 57 113.487 113.487 113.659 -0.172 17707
6506 1 16 . 1 1 91 91 PHE HA H 57 5.592 5.592 5.031 0.561 17707
6507 1 16 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.319 -3.408 17707
6508 1 16 . 1 1 91 91 PHE CB C 57 39.778 39.778 41.016 -1.238 17707
6509 1 16 . 1 1 91 91 PHE H H 57 6.936 6.936 7.282 -0.346 17707
6510 1 16 . 1 1 92 92 ALA N N 58 117.841 117.841 122.647 -4.806 17707
6511 1 16 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.421 0.327 17707
6512 1 16 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.061 -4.526 17707
6513 1 16 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.592 3.006 17707
6514 1 16 . 1 1 92 92 ALA H H 58 8.848 8.848 8.285 0.563 17707
6515 1 16 . 1 1 93 93 PHE N N 59 115.981 115.981 127.065 -11.084 17707
6516 1 16 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.905 0.768 17707
6517 1 16 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.315 -4.453 17707
6518 1 16 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.768 -1.870 17707
6519 1 16 . 1 1 93 93 PHE H H 59 8.824 8.824 8.016 0.808 17707
6520 1 16 . 1 1 94 94 VAL N N 60 123.120 123.120 123.367 -0.247 17707
6521 1 16 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.441 -0.137 17707
6522 1 16 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.705 -0.774 17707
6523 1 16 . 1 1 94 94 VAL CB C 60 31.429 31.429 34.851 -3.422 17707
6524 1 16 . 1 1 94 94 VAL H H 60 8.581 8.581 7.663 0.918 17707
6525 1 16 . 1 1 95 95 ARG N N 61 123.954 123.954 118.270 5.684 17707
6526 1 16 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.237 0.315 17707
6527 1 16 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.233 -3.719 17707
6528 1 16 . 1 1 95 95 ARG H H 61 8.727 8.727 8.504 0.223 17707
6529 1 16 . 1 1 96 96 PHE N N 62 121.921 121.921 121.083 0.838 17707
6530 1 16 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.662 0.240 17707
6531 1 16 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.381 -1.815 17707
6532 1 16 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.013 -3.127 17707
6533 1 16 . 1 1 96 96 PHE H H 62 9.127 9.127 8.232 0.895 17707
6534 1 16 . 1 1 97 97 HIS N N 63 120.064 120.064 114.710 5.354 17707
6535 1 16 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.920 -0.582 17707
6536 1 16 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.853 1.408 17707
6537 1 16 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.013 -4.725 17707
6538 1 16 . 1 1 97 97 HIS H H 63 7.982 7.982 8.985 -1.003 17707
6539 1 16 . 1 1 98 98 ASP N N 64 119.665 119.665 122.329 -2.664 17707
6540 1 16 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.795 0.264 17707
6541 1 16 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.315 -5.120 17707
6542 1 16 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.587 -0.489 17707
6543 1 16 . 1 1 98 98 ASP H H 64 9.096 9.096 8.551 0.545 17707
6544 1 16 . 1 1 99 99 LYS N N 65 127.804 127.804 127.143 0.661 17707
6545 1 16 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.912 -0.067 17707
6546 1 16 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.469 -2.073 17707
6547 1 16 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.481 -2.235 17707
6548 1 16 . 1 1 99 99 LYS H H 65 8.784 8.784 8.848 -0.064 17707
6549 1 16 . 1 1 100 100 ARG N N 66 118.451 118.451 116.374 2.077 17707
6550 1 16 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.115 -0.045 17707
6551 1 16 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.951 -2.812 17707
6552 1 16 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.742 -1.976 17707
6553 1 16 . 1 1 100 100 ARG H H 66 8.600 8.600 8.696 -0.096 17707
6554 1 16 . 1 1 101 101 ASP N N 67 119.627 119.627 119.167 0.460 17707
6555 1 16 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.731 -0.537 17707
6556 1 16 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.491 -2.258 17707
6557 1 16 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.559 -2.563 17707
6558 1 16 . 1 1 101 101 ASP H H 67 7.089 7.089 8.386 -1.297 17707
6559 1 16 . 1 1 102 102 ALA N N 68 119.421 119.421 123.706 -4.285 17707
6560 1 16 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.500 -0.536 17707
6561 1 16 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.944 -3.241 17707
6562 1 16 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.689 -3.022 17707
6563 1 16 . 1 1 102 102 ALA H H 68 6.832 6.832 7.803 -0.971 17707
6564 1 16 . 1 1 103 103 GLU N N 69 117.506 117.506 117.396 0.110 17707
6565 1 16 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.960 -0.302 17707
6566 1 16 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.642 -1.480 17707
6567 1 16 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.392 -2.967 17707
6568 1 16 . 1 1 103 103 GLU H H 69 8.011 8.011 8.042 -0.031 17707
6569 1 16 . 1 1 104 104 ASP N N 70 120.487 120.487 121.353 -0.866 17707
6570 1 16 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.417 -0.151 17707
6571 1 16 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.770 -2.282 17707
6572 1 16 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.933 -3.471 17707
6573 1 16 . 1 1 104 104 ASP H H 70 8.020 8.020 7.607 0.413 17707
6574 1 16 . 1 1 105 105 ALA N N 71 122.179 122.179 120.577 1.602 17707
6575 1 16 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.241 -0.466 17707
6576 1 16 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.569 -2.824 17707
6577 1 16 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.355 -1.147 17707
6578 1 16 . 1 1 105 105 ALA H H 71 8.118 8.118 7.504 0.614 17707
6579 1 16 . 1 1 106 106 MET N N 72 118.380 118.380 116.845 1.535 17707
6580 1 16 . 1 1 106 106 MET HA H 72 3.655 3.655 4.140 -0.485 17707
6581 1 16 . 1 1 106 106 MET CA C 72 57.188 57.188 58.492 -1.304 17707
6582 1 16 . 1 1 106 106 MET CB C 72 30.409 30.409 32.812 -2.403 17707
6583 1 16 . 1 1 106 106 MET H H 72 8.279 8.279 7.487 0.792 17707
6584 1 16 . 1 1 107 107 ASP N N 73 117.030 117.030 119.006 -1.976 17707
6585 1 16 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.563 -0.236 17707
6586 1 16 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.552 -1.493 17707
6587 1 16 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.898 -2.805 17707
6588 1 16 . 1 1 107 107 ASP H H 73 7.749 7.749 7.870 -0.121 17707
6589 1 16 . 1 1 108 108 ALA N N 74 117.995 117.995 119.359 -1.364 17707
6590 1 16 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.637 -0.513 17707
6591 1 16 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.775 -1.441 17707
6592 1 16 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.418 -2.759 17707
6593 1 16 . 1 1 108 108 ALA H H 74 7.347 7.347 7.471 -0.124 17707
6594 1 16 . 1 1 109 109 MET N N 75 112.202 112.202 116.641 -4.439 17707
6595 1 16 . 1 1 109 109 MET HA H 75 4.742 4.742 4.542 0.200 17707
6596 1 16 . 1 1 109 109 MET CA C 75 50.546 50.546 55.803 -5.257 17707
6597 1 16 . 1 1 109 109 MET H H 75 8.057 8.057 7.683 0.374 17707
6598 1 16 . 1 1 110 110 ASP N N 76 120.043 120.043 120.719 -0.676 17707
6599 1 16 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.410 -0.024 17707
6600 1 16 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.601 -1.656 17707
6601 1 16 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.155 -2.551 17707
6602 1 16 . 1 1 110 110 ASP H H 76 7.825 7.825 7.651 0.174 17707
6603 1 16 . 1 1 111 111 GLY N N 77 117.743 117.743 112.307 5.436 17707
6604 1 16 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.657 -2.641 17707
6605 1 16 . 1 1 111 111 GLY H H 77 8.636 8.636 8.199 0.437 17707
6606 1 16 . 1 1 112 112 ALA N N 78 123.755 123.755 123.010 0.745 17707
6607 1 16 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.455 -0.136 17707
6608 1 16 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.404 -2.368 17707
6609 1 16 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.564 -1.116 17707
6610 1 16 . 1 1 112 112 ALA H H 78 7.909 7.909 7.816 0.093 17707
6611 1 16 . 1 1 113 113 VAL N N 79 118.703 118.703 120.080 -1.377 17707
6612 1 16 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.942 0.671 17707
6613 1 16 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.515 -2.943 17707
6614 1 16 . 1 1 113 113 VAL H H 79 8.083 8.083 7.477 0.606 17707
6615 1 16 . 1 1 114 114 LEU N N 80 129.473 129.473 118.922 10.551 17707
6616 1 16 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.595 -0.052 17707
6617 1 16 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.920 -3.978 17707
6618 1 16 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.924 -0.339 17707
6619 1 16 . 1 1 114 114 LEU H H 80 8.895 8.895 8.465 0.430 17707
6620 1 16 . 1 1 115 115 ASP N N 81 129.660 129.660 120.130 9.530 17707
6621 1 16 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.695 -0.466 17707
6622 1 16 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.701 -1.449 17707
6623 1 16 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.476 -4.204 17707
6624 1 16 . 1 1 115 115 ASP H H 81 9.428 9.428 8.023 1.405 17707
6625 1 16 . 1 1 116 116 GLY N N 82 100.557 100.557 107.172 -6.615 17707
6626 1 16 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.862 -1.981 17707
6627 1 16 . 1 1 116 116 GLY H H 82 7.978 7.978 8.007 -0.029 17707
6628 1 16 . 1 1 117 117 ARG N N 83 120.104 120.104 117.953 2.151 17707
6629 1 16 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.550 0.000 17707
6630 1 16 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.446 -4.340 17707
6631 1 16 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.778 -1.133 17707
6632 1 16 . 1 1 117 117 ARG H H 83 7.493 7.493 7.463 0.030 17707
6633 1 16 . 1 1 118 118 GLU N N 84 121.206 121.206 118.085 3.121 17707
6634 1 16 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.561 -0.258 17707
6635 1 16 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.425 -2.996 17707
6636 1 16 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.310 -5.184 17707
6637 1 16 . 1 1 118 118 GLU H H 84 8.352 8.352 8.496 -0.144 17707
6638 1 16 . 1 1 119 119 LEU N N 85 127.970 127.970 118.637 9.333 17707
6639 1 16 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.841 -0.279 17707
6640 1 16 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.346 -0.823 17707
6641 1 16 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.323 -4.512 17707
6642 1 16 . 1 1 119 119 LEU H H 85 9.349 9.349 7.788 1.561 17707
6643 1 16 . 1 1 120 120 ARG N N 86 121.001 121.001 122.134 -1.133 17707
6644 1 16 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.160 0.014 17707
6645 1 16 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.943 -3.348 17707
6646 1 16 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.398 -2.706 17707
6647 1 16 . 1 1 120 120 ARG H H 86 7.512 7.512 8.294 -0.782 17707
6648 1 16 . 1 1 121 121 VAL N N 87 125.999 125.999 123.322 2.677 17707
6649 1 16 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.894 0.044 17707
6650 1 16 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.685 -1.919 17707
6651 1 16 . 1 1 121 121 VAL H H 87 9.437 9.437 9.255 0.182 17707
6652 1 16 . 1 1 122 122 GLN N N 88 121.684 121.684 123.358 -1.674 17707
6653 1 16 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.720 0.249 17707
6654 1 16 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.003 -3.104 17707
6655 1 16 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.784 -2.627 17707
6656 1 16 . 1 1 122 122 GLN H H 88 8.301 8.301 8.136 0.165 17707
6657 1 16 . 1 1 123 123 MET N N 89 121.937 121.937 119.526 2.411 17707
6658 1 16 . 1 1 123 123 MET HA H 89 4.529 4.529 4.364 0.165 17707
6659 1 16 . 1 1 123 123 MET CA C 89 53.328 53.328 54.901 -1.573 17707
6660 1 16 . 1 1 123 123 MET CB C 89 28.750 28.750 32.440 -3.690 17707
6661 1 16 . 1 1 123 123 MET H H 89 8.714 8.714 8.771 -0.057 17707
6662 1 16 . 1 1 124 124 ALA N N 90 126.984 126.984 127.416 -0.432 17707
6663 1 16 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.336 0.081 17707
6664 1 16 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.487 -2.684 17707
6665 1 16 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.832 -4.580 17707
6666 1 16 . 1 1 124 124 ALA H H 90 8.437 8.437 8.095 0.342 17707
6667 1 16 . 1 1 125 125 ARG H H 91 9.886 9.886 8.796 1.090 17707
6668 1 16 . 1 1 127 127 GLY CA C 93 41.736 41.736 45.472 -3.736 17707
6669 1 16 . 1 1 128 128 ARG N N 94 120.921 120.921 119.862 1.059 17707
6670 1 16 . 1 1 128 128 ARG H H 94 8.245 8.245 7.686 0.559 17707
6671 1 16 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.578 0.015 17707
6672 1 16 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.127 -3.138 17707
6673 1 16 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.420 -0.103 17707
6674 1 16 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.136 -3.741 17707
6675 1 16 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.397 -3.136 17707
6676 1 16 . 1 1 131 131 ASP N N 97 119.855 119.855 117.446 2.409 17707
6677 1 16 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.811 -0.319 17707
6678 1 16 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.076 -2.661 17707
6679 1 16 . 1 1 131 131 ASP CB C 97 38.553 38.553 40.857 -2.304 17707
6680 1 16 . 1 1 131 131 ASP H H 97 8.196 8.196 8.077 0.119 17707
6681 1 16 . 1 1 132 132 SER N N 98 116.150 116.150 117.439 -1.289 17707
6682 1 16 . 1 1 132 132 SER HA H 98 4.286 4.286 4.662 -0.376 17707
6683 1 16 . 1 1 132 132 SER CA C 98 55.729 55.729 58.960 -3.231 17707
6684 1 16 . 1 1 132 132 SER CB C 98 61.088 61.088 65.329 -4.241 17707
6685 1 16 . 1 1 132 132 SER H H 98 8.070 8.070 8.920 -0.850 17707
6686 1 16 . 1 1 133 133 HIS N N 99 119.771 119.771 115.633 4.138 17707
6687 1 16 . 1 1 133 133 HIS CB C 99 27.067 27.067 29.683 -2.616 17707
6688 1 16 . 1 1 133 133 HIS H H 99 8.322 8.322 8.422 -0.100 17707
6689 1 17 . 1 1 36 36 SER N N 2 116.365 116.365 118.126 -1.761 17707
6690 1 17 . 1 1 36 36 SER HA H 2 4.398 4.398 4.807 -0.409 17707
6691 1 17 . 1 1 36 36 SER CA C 2 55.706 55.706 57.465 -1.759 17707
6692 1 17 . 1 1 36 36 SER CB C 2 61.260 61.260 64.953 -3.693 17707
6693 1 17 . 1 1 36 36 SER H H 2 8.112 8.112 8.182 -0.070 17707
6694 1 17 . 1 1 37 37 TYR N N 3 121.885 121.885 120.840 1.045 17707
6695 1 17 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.299 0.335 17707
6696 1 17 . 1 1 37 37 TYR CB C 3 36.183 36.183 38.438 -2.255 17707
6697 1 17 . 1 1 37 37 TYR H H 3 8.155 8.155 8.713 -0.558 17707
6698 1 17 . 1 1 38 38 GLY N N 4 109.771 109.771 106.615 3.156 17707
6699 1 17 . 1 1 38 38 GLY H H 4 8.332 8.332 8.123 0.209 17707
6700 1 17 . 1 1 39 39 ARG N N 5 121.087 121.087 117.132 3.955 17707
6701 1 17 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.068 0.473 17707
6702 1 17 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.180 -4.985 17707
6703 1 17 . 1 1 39 39 ARG H H 5 8.224 8.224 8.426 -0.202 17707
6704 1 17 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.701 -0.462 17707
6705 1 17 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.439 -3.045 17707
6706 1 17 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.774 -0.390 17707
6707 1 17 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.132 -3.560 17707
6708 1 17 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.658 -0.385 17707
6709 1 17 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.702 -2.571 17707
6710 1 17 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.435 -4.338 17707
6711 1 17 . 1 1 43 43 ASP N N 9 119.118 119.118 116.604 2.514 17707
6712 1 17 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.858 -0.346 17707
6713 1 17 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.674 -2.133 17707
6714 1 17 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.024 -3.525 17707
6715 1 17 . 1 1 43 43 ASP H H 9 8.425 8.425 8.545 -0.120 17707
6716 1 17 . 1 1 44 44 VAL N N 10 118.278 118.278 116.270 2.008 17707
6717 1 17 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.970 0.236 17707
6718 1 17 . 1 1 44 44 VAL CA C 10 59.163 59.163 63.842 -4.679 17707
6719 1 17 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.414 -2.416 17707
6720 1 17 . 1 1 44 44 VAL H H 10 7.882 7.882 7.913 -0.031 17707
6721 1 17 . 1 1 45 45 GLU N N 11 123.222 123.222 119.323 3.899 17707
6722 1 17 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.389 -0.341 17707
6723 1 17 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.581 -0.734 17707
6724 1 17 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.718 -3.271 17707
6725 1 17 . 1 1 45 45 GLU H H 11 8.328 8.328 8.211 0.117 17707
6726 1 17 . 1 1 46 46 GLY N N 12 108.993 108.993 107.693 1.300 17707
6727 1 17 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.512 -2.813 17707
6728 1 17 . 1 1 46 46 GLY H H 12 8.361 8.361 8.118 0.243 17707
6729 1 17 . 1 1 47 47 MET N N 13 118.074 118.074 117.948 0.126 17707
6730 1 17 . 1 1 47 47 MET HA H 13 4.584 4.584 4.900 -0.316 17707
6731 1 17 . 1 1 47 47 MET CB C 13 31.447 31.447 35.824 -4.377 17707
6732 1 17 . 1 1 47 47 MET H H 13 7.493 7.493 7.373 0.120 17707
6733 1 17 . 1 1 48 48 THR N N 14 118.968 118.968 118.462 0.506 17707
6734 1 17 . 1 1 48 48 THR HA H 14 4.534 4.534 4.521 0.013 17707
6735 1 17 . 1 1 48 48 THR CA C 14 60.656 60.656 62.945 -2.289 17707
6736 1 17 . 1 1 48 48 THR CB C 14 67.544 67.544 68.008 -0.465 17707
6737 1 17 . 1 1 48 48 THR H H 14 8.993 8.993 8.648 0.345 17707
6738 1 17 . 1 1 49 49 SER N N 15 123.365 123.365 122.863 0.502 17707
6739 1 17 . 1 1 49 49 SER HA H 15 5.017 5.017 4.624 0.393 17707
6740 1 17 . 1 1 49 49 SER CB C 15 61.787 61.787 63.060 -1.273 17707
6741 1 17 . 1 1 49 49 SER H H 15 9.097 9.097 8.224 0.873 17707
6742 1 17 . 1 1 50 50 LEU N N 16 124.488 124.488 127.408 -2.920 17707
6743 1 17 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.648 0.360 17707
6744 1 17 . 1 1 50 50 LEU CA C 16 50.359 50.359 53.007 -2.648 17707
6745 1 17 . 1 1 50 50 LEU CB C 16 41.102 41.102 44.693 -3.591 17707
6746 1 17 . 1 1 50 50 LEU H H 16 9.495 9.495 8.217 1.278 17707
6747 1 17 . 1 1 51 51 LYS N N 17 123.276 123.276 127.559 -4.283 17707
6748 1 17 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.025 -0.144 17707
6749 1 17 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.090 -1.665 17707
6750 1 17 . 1 1 51 51 LYS CB C 17 32.331 32.331 34.991 -2.660 17707
6751 1 17 . 1 1 51 51 LYS H H 17 9.239 9.239 8.271 0.968 17707
6752 1 17 . 1 1 52 52 VAL N N 18 130.086 130.086 123.541 6.545 17707
6753 1 17 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.559 0.215 17707
6754 1 17 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.938 -2.712 17707
6755 1 17 . 1 1 52 52 VAL CB C 18 30.922 30.922 34.916 -3.994 17707
6756 1 17 . 1 1 52 52 VAL H H 18 9.136 9.136 7.455 1.681 17707
6757 1 17 . 1 1 53 53 ASP N N 19 125.621 125.621 123.520 2.101 17707
6758 1 17 . 1 1 53 53 ASP HA H 19 5.178 5.178 4.981 0.197 17707
6759 1 17 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.879 -2.265 17707
6760 1 17 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.159 -2.612 17707
6761 1 17 . 1 1 53 53 ASP H H 19 9.312 9.312 9.037 0.275 17707
6762 1 17 . 1 1 54 54 ASN N N 20 112.496 112.496 115.531 -3.035 17707
6763 1 17 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.463 0.014 17707
6764 1 17 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.825 -2.809 17707
6765 1 17 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.964 -3.345 17707
6766 1 17 . 1 1 54 54 ASN H H 20 8.438 8.438 8.766 -0.328 17707
6767 1 17 . 1 1 55 55 LEU N N 21 114.844 114.844 118.141 -3.297 17707
6768 1 17 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.419 -0.056 17707
6769 1 17 . 1 1 55 55 LEU CA C 21 51.007 51.007 56.134 -5.127 17707
6770 1 17 . 1 1 55 55 LEU CB C 21 41.016 41.016 42.525 -1.509 17707
6771 1 17 . 1 1 55 55 LEU H H 21 7.477 7.477 7.702 -0.225 17707
6772 1 17 . 1 1 56 56 THR N N 22 111.571 111.571 111.985 -0.414 17707
6773 1 17 . 1 1 56 56 THR HA H 22 4.361 4.361 4.687 -0.326 17707
6774 1 17 . 1 1 56 56 THR CA C 22 58.212 58.212 60.645 -2.433 17707
6775 1 17 . 1 1 56 56 THR CB C 22 68.233 68.233 71.348 -3.115 17707
6776 1 17 . 1 1 56 56 THR H H 22 8.341 8.341 8.179 0.162 17707
6777 1 17 . 1 1 57 57 TYR N N 23 122.008 122.008 119.949 2.059 17707
6778 1 17 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.282 0.028 17707
6779 1 17 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.460 -2.884 17707
6780 1 17 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.911 -3.727 17707
6781 1 17 . 1 1 57 57 TYR H H 23 8.587 8.587 8.946 -0.359 17707
6782 1 17 . 1 1 58 58 ARG N N 24 114.767 114.767 114.419 0.348 17707
6783 1 17 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.432 -0.169 17707
6784 1 17 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.241 -2.145 17707
6785 1 17 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.169 -2.765 17707
6786 1 17 . 1 1 58 58 ARG H H 24 7.262 7.262 7.549 -0.287 17707
6787 1 17 . 1 1 59 59 THR N N 25 119.267 119.267 116.330 2.937 17707
6788 1 17 . 1 1 59 59 THR HA H 25 4.015 4.015 4.748 -0.733 17707
6789 1 17 . 1 1 59 59 THR CA C 25 62.247 62.247 61.225 1.022 17707
6790 1 17 . 1 1 59 59 THR CB C 25 65.785 65.785 71.904 -6.119 17707
6791 1 17 . 1 1 59 59 THR H H 25 7.348 7.348 7.772 -0.424 17707
6792 1 17 . 1 1 60 60 SER N N 26 124.341 124.341 115.209 9.132 17707
6793 1 17 . 1 1 60 60 SER HA H 26 4.861 4.861 4.990 -0.129 17707
6794 1 17 . 1 1 60 60 SER CA C 26 52.864 52.864 54.927 -2.063 17707
6795 1 17 . 1 1 60 60 SER CB C 26 61.783 61.783 64.933 -3.150 17707
6796 1 17 . 1 1 60 60 SER H H 26 8.319 8.319 8.357 -0.038 17707
6797 1 17 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.471 -0.461 17707
6798 1 17 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.349 -2.266 17707
6799 1 17 . 1 1 62 62 ASP N N 28 115.615 115.615 117.184 -1.569 17707
6800 1 17 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.446 -0.070 17707
6801 1 17 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.420 -2.739 17707
6802 1 17 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.756 -2.504 17707
6803 1 17 . 1 1 62 62 ASP H H 28 8.020 8.020 8.567 -0.547 17707
6804 1 17 . 1 1 63 63 THR N N 29 118.079 118.079 117.049 1.030 17707
6805 1 17 . 1 1 63 63 THR HA H 29 3.902 3.902 4.211 -0.309 17707
6806 1 17 . 1 1 63 63 THR CA C 29 63.729 63.729 66.602 -2.873 17707
6807 1 17 . 1 1 63 63 THR CB C 29 65.634 65.634 68.919 -3.285 17707
6808 1 17 . 1 1 63 63 THR H H 29 7.766 7.766 7.407 0.359 17707
6809 1 17 . 1 1 64 64 LEU N N 30 118.985 118.985 120.606 -1.621 17707
6810 1 17 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.219 -0.166 17707
6811 1 17 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.641 -2.663 17707
6812 1 17 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.847 -1.016 17707
6813 1 17 . 1 1 64 64 LEU H H 30 7.495 7.495 8.149 -0.654 17707
6814 1 17 . 1 1 65 65 ARG N N 31 119.245 119.245 120.207 -0.962 17707
6815 1 17 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.193 -0.549 17707
6816 1 17 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.764 -0.408 17707
6817 1 17 . 1 1 65 65 ARG H H 31 8.583 8.583 7.737 0.846 17707
6818 1 17 . 1 1 66 66 ARG N N 32 115.695 115.695 118.100 -2.405 17707
6819 1 17 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.304 -0.232 17707
6820 1 17 . 1 1 66 66 ARG CA C 32 56.674 56.674 57.959 -1.284 17707
6821 1 17 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.227 -1.669 17707
6822 1 17 . 1 1 66 66 ARG H H 32 7.707 7.707 7.874 -0.167 17707
6823 1 17 . 1 1 67 67 VAL N N 33 115.500 115.500 117.550 -2.050 17707
6824 1 17 . 1 1 67 67 VAL HA H 33 3.892 3.892 4.125 -0.233 17707
6825 1 17 . 1 1 67 67 VAL CA C 33 62.656 62.656 64.925 -2.269 17707
6826 1 17 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.593 -3.037 17707
6827 1 17 . 1 1 67 67 VAL H H 33 7.739 7.739 7.896 -0.157 17707
6828 1 17 . 1 1 68 68 PHE N N 34 116.290 116.290 116.738 -0.448 17707
6829 1 17 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.905 -0.407 17707
6830 1 17 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.437 0.591 17707
6831 1 17 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.794 -4.602 17707
6832 1 17 . 1 1 68 68 PHE H H 34 8.253 8.253 7.698 0.555 17707
6833 1 17 . 1 1 69 69 GLU N N 35 119.333 119.333 121.519 -2.186 17707
6834 1 17 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.031 1.004 17707
6835 1 17 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.567 -4.585 17707
6836 1 17 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.614 -3.440 17707
6837 1 17 . 1 1 69 69 GLU H H 35 8.583 8.583 8.474 0.109 17707
6838 1 17 . 1 1 70 70 LYS N N 36 118.341 118.341 117.513 0.828 17707
6839 1 17 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.129 -0.237 17707
6840 1 17 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.264 -2.805 17707
6841 1 17 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.528 -2.304 17707
6842 1 17 . 1 1 70 70 LYS H H 36 6.871 6.871 8.435 -1.564 17707
6843 1 17 . 1 1 71 71 TYR N N 37 115.014 115.014 118.700 -3.686 17707
6844 1 17 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.348 -0.041 17707
6845 1 17 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.180 -3.946 17707
6846 1 17 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.968 -2.333 17707
6847 1 17 . 1 1 71 71 TYR H H 37 7.611 7.611 7.719 -0.108 17707
6848 1 17 . 1 1 72 72 GLY N N 38 104.741 104.741 105.332 -0.591 17707
6849 1 17 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.477 -3.848 17707
6850 1 17 . 1 1 72 72 GLY H H 38 7.356 7.356 8.030 -0.674 17707
6851 1 17 . 1 1 73 73 ARG N N 39 115.783 115.783 119.161 -3.378 17707
6852 1 17 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.596 -0.228 17707
6853 1 17 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.093 -0.390 17707
6854 1 17 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.895 -5.043 17707
6855 1 17 . 1 1 73 73 ARG H H 39 7.990 7.990 8.108 -0.118 17707
6856 1 17 . 1 1 74 74 VAL N N 40 130.246 130.246 118.636 11.610 17707
6857 1 17 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.756 -0.057 17707
6858 1 17 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.303 -1.820 17707
6859 1 17 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.866 -4.567 17707
6860 1 17 . 1 1 74 74 VAL H H 40 8.846 8.846 8.357 0.489 17707
6861 1 17 . 1 1 75 75 GLY N N 41 114.952 114.952 112.909 2.043 17707
6862 1 17 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.264 -2.359 17707
6863 1 17 . 1 1 75 75 GLY H H 41 8.943 8.943 8.680 0.263 17707
6864 1 17 . 1 1 76 76 ASP N N 42 115.344 115.344 119.748 -4.404 17707
6865 1 17 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.958 -0.246 17707
6866 1 17 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.698 -1.184 17707
6867 1 17 . 1 1 76 76 ASP H H 42 7.224 7.224 7.551 -0.327 17707
6868 1 17 . 1 1 77 77 VAL N N 43 122.703 122.703 123.664 -0.961 17707
6869 1 17 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.466 0.257 17707
6870 1 17 . 1 1 77 77 VAL CA C 43 59.347 59.347 62.149 -2.802 17707
6871 1 17 . 1 1 77 77 VAL CB C 43 32.582 32.582 32.842 -0.259 17707
6872 1 17 . 1 1 77 77 VAL H H 43 7.551 7.551 8.421 -0.870 17707
6873 1 17 . 1 1 78 78 TYR N N 44 125.956 125.956 125.152 0.804 17707
6874 1 17 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.955 0.016 17707
6875 1 17 . 1 1 78 78 TYR CA C 44 53.306 53.306 55.874 -2.568 17707
6876 1 17 . 1 1 78 78 TYR H H 44 9.023 9.023 9.135 -0.112 17707
6877 1 17 . 1 1 79 79 ILE N N 45 129.856 129.856 121.207 8.649 17707
6878 1 17 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.315 -0.059 17707
6879 1 17 . 1 1 79 79 ILE CA C 45 55.398 55.398 56.442 -1.044 17707
6880 1 17 . 1 1 79 79 ILE CB C 45 36.314 36.314 36.985 -0.671 17707
6881 1 17 . 1 1 79 79 ILE H H 45 8.231 8.231 8.384 -0.153 17707
6882 1 17 . 1 1 80 80 PRO HA H 46 3.904 3.904 3.704 0.200 17707
6883 1 17 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.496 -3.856 17707
6884 1 17 . 1 1 81 81 ARG H H 47 8.593 8.593 8.053 0.540 17707
6885 1 17 . 1 1 82 82 ASP N N 48 125.712 125.712 117.431 8.281 17707
6886 1 17 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.036 0.346 17707
6887 1 17 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.955 -2.496 17707
6888 1 17 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.497 1.811 17707
6889 1 17 . 1 1 82 82 ASP H H 48 8.948 8.948 8.561 0.387 17707
6890 1 17 . 1 1 83 83 ARG N N 49 125.207 125.207 116.550 8.657 17707
6891 1 17 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.838 -0.142 17707
6892 1 17 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.309 -2.695 17707
6893 1 17 . 1 1 83 83 ARG H H 49 8.688 8.688 8.424 0.264 17707
6894 1 17 . 1 1 84 84 TYR N N 50 117.911 117.911 111.079 6.832 17707
6895 1 17 . 1 1 84 84 TYR HA H 50 4.594 4.594 5.002 -0.408 17707
6896 1 17 . 1 1 84 84 TYR CA C 50 56.766 56.766 56.648 0.118 17707
6897 1 17 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.871 -2.684 17707
6898 1 17 . 1 1 84 84 TYR H H 50 8.449 8.449 7.038 1.411 17707
6899 1 17 . 1 1 85 85 THR N N 51 110.450 110.450 112.632 -2.182 17707
6900 1 17 . 1 1 85 85 THR HA H 51 4.230 4.230 4.519 -0.289 17707
6901 1 17 . 1 1 85 85 THR CA C 51 59.620 59.620 61.985 -2.365 17707
6902 1 17 . 1 1 85 85 THR CB C 51 67.745 67.745 71.225 -3.480 17707
6903 1 17 . 1 1 85 85 THR H H 51 9.141 9.141 7.534 1.607 17707
6904 1 17 . 1 1 86 86 LYS N N 52 113.570 113.570 119.495 -5.925 17707
6905 1 17 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.886 0.069 17707
6906 1 17 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.858 -3.430 17707
6907 1 17 . 1 1 86 86 LYS H H 52 7.821 7.821 8.309 -0.488 17707
6908 1 17 . 1 1 87 87 GLU N N 53 118.364 118.364 116.693 1.671 17707
6909 1 17 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.212 0.168 17707
6910 1 17 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.739 -4.098 17707
6911 1 17 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.653 -0.812 17707
6912 1 17 . 1 1 87 87 GLU H H 53 7.714 7.714 7.829 -0.115 17707
6913 1 17 . 1 1 88 88 SER N N 54 115.692 115.692 113.868 1.824 17707
6914 1 17 . 1 1 88 88 SER CB C 54 61.369 61.369 64.144 -2.775 17707
6915 1 17 . 1 1 88 88 SER H H 54 8.705 8.705 7.378 1.327 17707
6916 1 17 . 1 1 89 89 ARG N N 55 122.170 122.170 119.612 2.558 17707
6917 1 17 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.579 -0.262 17707
6918 1 17 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.908 -2.114 17707
6919 1 17 . 1 1 89 89 ARG H H 55 7.934 7.934 8.383 -0.449 17707
6920 1 17 . 1 1 90 90 GLY N N 56 106.948 106.948 109.379 -2.431 17707
6921 1 17 . 1 1 90 90 GLY CA C 56 43.275 43.275 46.484 -3.209 17707
6922 1 17 . 1 1 90 90 GLY H H 56 8.557 8.557 8.047 0.510 17707
6923 1 17 . 1 1 91 91 PHE N N 57 113.487 113.487 112.838 0.649 17707
6924 1 17 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.817 0.775 17707
6925 1 17 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.334 -2.423 17707
6926 1 17 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.009 -0.231 17707
6927 1 17 . 1 1 91 91 PHE H H 57 6.936 6.936 7.583 -0.647 17707
6928 1 17 . 1 1 92 92 ALA N N 58 117.841 117.841 122.126 -4.285 17707
6929 1 17 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.435 0.313 17707
6930 1 17 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.267 -4.732 17707
6931 1 17 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.329 3.269 17707
6932 1 17 . 1 1 92 92 ALA H H 58 8.848 8.848 8.097 0.751 17707
6933 1 17 . 1 1 93 93 PHE N N 59 115.981 115.981 126.763 -10.782 17707
6934 1 17 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.578 1.095 17707
6935 1 17 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.140 -4.278 17707
6936 1 17 . 1 1 93 93 PHE CB C 59 37.898 37.898 40.158 -2.260 17707
6937 1 17 . 1 1 93 93 PHE H H 59 8.824 8.824 7.748 1.076 17707
6938 1 17 . 1 1 94 94 VAL N N 60 123.120 123.120 122.116 1.004 17707
6939 1 17 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.688 -0.384 17707
6940 1 17 . 1 1 94 94 VAL CA C 60 58.931 58.931 58.847 0.084 17707
6941 1 17 . 1 1 94 94 VAL CB C 60 31.429 31.429 35.777 -4.348 17707
6942 1 17 . 1 1 94 94 VAL H H 60 8.581 8.581 7.563 1.018 17707
6943 1 17 . 1 1 95 95 ARG N N 61 123.954 123.954 118.676 5.278 17707
6944 1 17 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.164 0.388 17707
6945 1 17 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.548 -4.033 17707
6946 1 17 . 1 1 95 95 ARG H H 61 8.727 8.727 8.348 0.380 17707
6947 1 17 . 1 1 96 96 PHE N N 62 121.921 121.921 122.081 -0.160 17707
6948 1 17 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.549 0.354 17707
6949 1 17 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.693 -2.127 17707
6950 1 17 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.145 -2.259 17707
6951 1 17 . 1 1 96 96 PHE H H 62 9.127 9.127 8.848 0.279 17707
6952 1 17 . 1 1 97 97 HIS N N 63 120.064 120.064 115.366 4.698 17707
6953 1 17 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.887 -0.549 17707
6954 1 17 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.684 0.578 17707
6955 1 17 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.028 -4.740 17707
6956 1 17 . 1 1 97 97 HIS H H 63 7.982 7.982 9.003 -1.021 17707
6957 1 17 . 1 1 98 98 ASP N N 64 119.665 119.665 121.386 -1.721 17707
6958 1 17 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.906 0.153 17707
6959 1 17 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.764 -4.569 17707
6960 1 17 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.264 -1.166 17707
6961 1 17 . 1 1 98 98 ASP H H 64 9.096 9.096 8.440 0.656 17707
6962 1 17 . 1 1 99 99 LYS N N 65 127.804 127.804 126.679 1.125 17707
6963 1 17 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.896 -0.051 17707
6964 1 17 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.934 -2.538 17707
6965 1 17 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.415 -2.169 17707
6966 1 17 . 1 1 99 99 LYS H H 65 8.784 8.784 8.884 -0.100 17707
6967 1 17 . 1 1 100 100 ARG N N 66 118.451 118.451 116.815 1.636 17707
6968 1 17 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.114 -0.044 17707
6969 1 17 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.099 -2.960 17707
6970 1 17 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.931 -2.165 17707
6971 1 17 . 1 1 100 100 ARG H H 66 8.600 8.600 8.535 0.065 17707
6972 1 17 . 1 1 101 101 ASP N N 67 119.627 119.627 118.337 1.290 17707
6973 1 17 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.650 -0.456 17707
6974 1 17 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.847 -2.615 17707
6975 1 17 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.635 -2.639 17707
6976 1 17 . 1 1 101 101 ASP H H 67 7.089 7.089 8.527 -1.438 17707
6977 1 17 . 1 1 102 102 ALA N N 68 119.421 119.421 123.677 -4.256 17707
6978 1 17 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.566 -0.602 17707
6979 1 17 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.801 -3.098 17707
6980 1 17 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.671 -3.003 17707
6981 1 17 . 1 1 102 102 ALA H H 68 6.832 6.832 7.764 -0.932 17707
6982 1 17 . 1 1 103 103 GLU N N 69 117.506 117.506 117.307 0.199 17707
6983 1 17 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.959 -0.301 17707
6984 1 17 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.707 -1.545 17707
6985 1 17 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.468 -3.043 17707
6986 1 17 . 1 1 103 103 GLU H H 69 8.011 8.011 8.602 -0.591 17707
6987 1 17 . 1 1 104 104 ASP N N 70 120.487 120.487 121.152 -0.665 17707
6988 1 17 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.422 -0.156 17707
6989 1 17 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.780 -2.292 17707
6990 1 17 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.928 -3.466 17707
6991 1 17 . 1 1 104 104 ASP H H 70 8.020 8.020 7.717 0.303 17707
6992 1 17 . 1 1 105 105 ALA N N 71 122.179 122.179 120.684 1.495 17707
6993 1 17 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.309 -0.534 17707
6994 1 17 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.500 -2.755 17707
6995 1 17 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.213 -1.005 17707
6996 1 17 . 1 1 105 105 ALA H H 71 8.118 8.118 7.266 0.852 17707
6997 1 17 . 1 1 106 106 MET N N 72 118.380 118.380 117.160 1.220 17707
6998 1 17 . 1 1 106 106 MET HA H 72 3.655 3.655 4.126 -0.471 17707
6999 1 17 . 1 1 106 106 MET CA C 72 57.188 57.188 58.745 -1.557 17707
7000 1 17 . 1 1 106 106 MET CB C 72 30.409 30.409 32.758 -2.349 17707
7001 1 17 . 1 1 106 106 MET H H 72 8.279 8.279 7.427 0.852 17707
7002 1 17 . 1 1 107 107 ASP N N 73 117.030 117.030 119.072 -2.042 17707
7003 1 17 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.535 -0.208 17707
7004 1 17 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.774 -1.715 17707
7005 1 17 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.934 -2.841 17707
7006 1 17 . 1 1 107 107 ASP H H 73 7.749 7.749 8.014 -0.265 17707
7007 1 17 . 1 1 108 108 ALA N N 74 117.995 117.995 119.052 -1.057 17707
7008 1 17 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.586 -0.462 17707
7009 1 17 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.787 -1.453 17707
7010 1 17 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.198 -2.539 17707
7011 1 17 . 1 1 108 108 ALA H H 74 7.347 7.347 7.552 -0.205 17707
7012 1 17 . 1 1 109 109 MET N N 75 112.202 112.202 116.967 -4.765 17707
7013 1 17 . 1 1 109 109 MET HA H 75 4.742 4.742 4.537 0.205 17707
7014 1 17 . 1 1 109 109 MET CA C 75 50.546 50.546 55.881 -5.335 17707
7015 1 17 . 1 1 109 109 MET H H 75 8.057 8.057 7.771 0.286 17707
7016 1 17 . 1 1 110 110 ASP N N 76 120.043 120.043 120.479 -0.436 17707
7017 1 17 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.559 -0.173 17707
7018 1 17 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.316 -1.371 17707
7019 1 17 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.664 -3.060 17707
7020 1 17 . 1 1 110 110 ASP H H 76 7.825 7.825 7.640 0.185 17707
7021 1 17 . 1 1 111 111 GLY N N 77 117.743 117.743 113.055 4.688 17707
7022 1 17 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.545 -2.529 17707
7023 1 17 . 1 1 111 111 GLY H H 77 8.636 8.636 8.692 -0.056 17707
7024 1 17 . 1 1 112 112 ALA N N 78 123.755 123.755 122.457 1.298 17707
7025 1 17 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.602 -0.283 17707
7026 1 17 . 1 1 112 112 ALA CA C 78 49.036 49.036 50.733 -1.697 17707
7027 1 17 . 1 1 112 112 ALA CB C 78 17.448 17.448 19.638 -2.190 17707
7028 1 17 . 1 1 112 112 ALA H H 78 7.909 7.909 7.510 0.399 17707
7029 1 17 . 1 1 113 113 VAL N N 79 118.703 118.703 121.610 -2.907 17707
7030 1 17 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.873 0.740 17707
7031 1 17 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.953 -3.381 17707
7032 1 17 . 1 1 113 113 VAL H H 79 8.083 8.083 8.078 0.005 17707
7033 1 17 . 1 1 114 114 LEU N N 80 129.473 129.473 119.979 9.494 17707
7034 1 17 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.623 -0.080 17707
7035 1 17 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.733 -3.791 17707
7036 1 17 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.182 -0.597 17707
7037 1 17 . 1 1 114 114 LEU H H 80 8.895 8.895 8.484 0.411 17707
7038 1 17 . 1 1 115 115 ASP N N 81 129.660 129.660 118.477 11.183 17707
7039 1 17 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.664 -0.435 17707
7040 1 17 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.651 -1.399 17707
7041 1 17 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.756 -4.484 17707
7042 1 17 . 1 1 115 115 ASP H H 81 9.428 9.428 7.981 1.447 17707
7043 1 17 . 1 1 116 116 GLY N N 82 100.557 100.557 108.169 -7.612 17707
7044 1 17 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.564 -2.683 17707
7045 1 17 . 1 1 116 116 GLY H H 82 7.978 7.978 8.363 -0.385 17707
7046 1 17 . 1 1 117 117 ARG N N 83 120.104 120.104 116.870 3.234 17707
7047 1 17 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.468 0.082 17707
7048 1 17 . 1 1 117 117 ARG CA C 83 51.106 51.106 53.596 -2.490 17707
7049 1 17 . 1 1 117 117 ARG CB C 83 30.645 30.645 30.894 -0.249 17707
7050 1 17 . 1 1 117 117 ARG H H 83 7.493 7.493 7.970 -0.477 17707
7051 1 17 . 1 1 118 118 GLU N N 84 121.206 121.206 120.765 0.441 17707
7052 1 17 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.168 0.135 17707
7053 1 17 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.392 -2.962 17707
7054 1 17 . 1 1 118 118 GLU CB C 84 27.126 27.126 29.296 -2.170 17707
7055 1 17 . 1 1 118 118 GLU H H 84 8.352 8.352 8.263 0.089 17707
7056 1 17 . 1 1 119 119 LEU N N 85 127.970 127.970 120.489 7.481 17707
7057 1 17 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.089 0.473 17707
7058 1 17 . 1 1 119 119 LEU CA C 85 52.523 52.523 56.497 -3.974 17707
7059 1 17 . 1 1 119 119 LEU CB C 85 40.811 40.811 41.656 -0.845 17707
7060 1 17 . 1 1 119 119 LEU H H 85 9.349 9.349 8.584 0.765 17707
7061 1 17 . 1 1 120 120 ARG N N 86 121.001 121.001 122.001 -1.000 17707
7062 1 17 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.260 -0.086 17707
7063 1 17 . 1 1 120 120 ARG CA C 86 51.595 51.595 53.584 -1.989 17707
7064 1 17 . 1 1 120 120 ARG CB C 86 29.692 29.692 33.157 -3.465 17707
7065 1 17 . 1 1 120 120 ARG H H 86 7.512 7.512 8.180 -0.668 17707
7066 1 17 . 1 1 121 121 VAL N N 87 125.999 125.999 124.050 1.949 17707
7067 1 17 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.786 0.152 17707
7068 1 17 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.912 -2.146 17707
7069 1 17 . 1 1 121 121 VAL H H 87 9.437 9.437 8.359 1.078 17707
7070 1 17 . 1 1 122 122 GLN N N 88 121.684 121.684 124.548 -2.864 17707
7071 1 17 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.689 0.280 17707
7072 1 17 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.190 -2.291 17707
7073 1 17 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.066 -1.909 17707
7074 1 17 . 1 1 122 122 GLN H H 88 8.301 8.301 8.352 -0.051 17707
7075 1 17 . 1 1 123 123 MET N N 89 121.937 121.937 119.312 2.625 17707
7076 1 17 . 1 1 123 123 MET HA H 89 4.529 4.529 4.234 0.295 17707
7077 1 17 . 1 1 123 123 MET CA C 89 53.328 53.328 56.405 -3.077 17707
7078 1 17 . 1 1 123 123 MET CB C 89 28.750 28.750 32.766 -4.016 17707
7079 1 17 . 1 1 123 123 MET H H 89 8.714 8.714 8.883 -0.169 17707
7080 1 17 . 1 1 124 124 ALA N N 90 126.984 126.984 121.795 5.189 17707
7081 1 17 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.620 -0.203 17707
7082 1 17 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.020 -2.217 17707
7083 1 17 . 1 1 124 124 ALA CB C 90 15.252 15.252 20.866 -5.614 17707
7084 1 17 . 1 1 124 124 ALA H H 90 8.437 8.437 8.109 0.328 17707
7085 1 17 . 1 1 125 125 ARG H H 91 9.886 9.886 8.372 1.514 17707
7086 1 17 . 1 1 127 127 GLY CA C 93 41.736 41.736 45.416 -3.680 17707
7087 1 17 . 1 1 128 128 ARG N N 94 120.921 120.921 117.849 3.072 17707
7088 1 17 . 1 1 128 128 ARG H H 94 8.245 8.245 8.070 0.175 17707
7089 1 17 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.443 0.150 17707
7090 1 17 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.819 -3.830 17707
7091 1 17 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.394 -0.077 17707
7092 1 17 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.725 -3.330 17707
7093 1 17 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.701 -3.440 17707
7094 1 17 . 1 1 131 131 ASP N N 97 119.855 119.855 117.160 2.695 17707
7095 1 17 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.830 -0.338 17707
7096 1 17 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.025 -1.610 17707
7097 1 17 . 1 1 131 131 ASP CB C 97 38.553 38.553 41.728 -3.175 17707
7098 1 17 . 1 1 131 131 ASP H H 97 8.196 8.196 7.815 0.381 17707
7099 1 17 . 1 1 132 132 SER N N 98 116.150 116.150 114.515 1.635 17707
7100 1 17 . 1 1 132 132 SER HA H 98 4.286 4.286 4.565 -0.279 17707
7101 1 17 . 1 1 132 132 SER CA C 98 55.729 55.729 58.562 -2.833 17707
7102 1 17 . 1 1 132 132 SER CB C 98 61.088 61.088 64.588 -3.500 17707
7103 1 17 . 1 1 132 132 SER H H 98 8.070 8.070 8.562 -0.492 17707
7104 1 17 . 1 1 133 133 HIS N N 99 119.771 119.771 119.893 -0.122 17707
7105 1 17 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.898 -3.831 17707
7106 1 17 . 1 1 133 133 HIS H H 99 8.322 8.322 8.379 -0.057 17707
7107 1 18 . 1 1 36 36 SER N N 2 116.365 116.365 116.927 -0.562 17707
7108 1 18 . 1 1 36 36 SER HA H 2 4.398 4.398 4.676 -0.278 17707
7109 1 18 . 1 1 36 36 SER CA C 2 55.706 55.706 57.919 -2.213 17707
7110 1 18 . 1 1 36 36 SER CB C 2 61.260 61.260 65.349 -4.089 17707
7111 1 18 . 1 1 36 36 SER H H 2 8.112 8.112 8.645 -0.533 17707
7112 1 18 . 1 1 37 37 TYR N N 3 121.885 121.885 118.652 3.233 17707
7113 1 18 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.195 0.439 17707
7114 1 18 . 1 1 37 37 TYR CB C 3 36.183 36.183 36.603 -0.420 17707
7115 1 18 . 1 1 37 37 TYR H H 3 8.155 8.155 8.360 -0.205 17707
7116 1 18 . 1 1 38 38 GLY N N 4 109.771 109.771 107.886 1.885 17707
7117 1 18 . 1 1 38 38 GLY H H 4 8.332 8.332 8.205 0.127 17707
7118 1 18 . 1 1 39 39 ARG N N 5 121.087 121.087 116.732 4.355 17707
7119 1 18 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.543 -0.002 17707
7120 1 18 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.024 -3.829 17707
7121 1 18 . 1 1 39 39 ARG H H 5 8.224 8.224 7.967 0.257 17707
7122 1 18 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.615 -0.376 17707
7123 1 18 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.255 -3.861 17707
7124 1 18 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.720 -0.336 17707
7125 1 18 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.438 -3.865 17707
7126 1 18 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.722 -0.449 17707
7127 1 18 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.614 -2.483 17707
7128 1 18 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.774 -4.677 17707
7129 1 18 . 1 1 43 43 ASP N N 9 119.118 119.118 116.821 2.297 17707
7130 1 18 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.894 -0.382 17707
7131 1 18 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.705 -2.164 17707
7132 1 18 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.028 -3.529 17707
7133 1 18 . 1 1 43 43 ASP H H 9 8.425 8.425 8.519 -0.094 17707
7134 1 18 . 1 1 44 44 VAL N N 10 118.278 118.278 114.504 3.774 17707
7135 1 18 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.964 0.242 17707
7136 1 18 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.347 -5.184 17707
7137 1 18 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.636 -2.638 17707
7138 1 18 . 1 1 44 44 VAL H H 10 7.882 7.882 8.031 -0.149 17707
7139 1 18 . 1 1 45 45 GLU N N 11 123.222 123.222 118.983 4.239 17707
7140 1 18 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.428 -0.380 17707
7141 1 18 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.247 -0.400 17707
7142 1 18 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.846 -3.399 17707
7143 1 18 . 1 1 45 45 GLU H H 11 8.328 8.328 8.089 0.239 17707
7144 1 18 . 1 1 46 46 GLY N N 12 108.993 108.993 107.859 1.134 17707
7145 1 18 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.518 -2.819 17707
7146 1 18 . 1 1 46 46 GLY H H 12 8.361 8.361 8.231 0.130 17707
7147 1 18 . 1 1 47 47 MET N N 13 118.074 118.074 117.850 0.224 17707
7148 1 18 . 1 1 47 47 MET HA H 13 4.584 4.584 4.946 -0.362 17707
7149 1 18 . 1 1 47 47 MET CB C 13 31.447 31.447 35.003 -3.556 17707
7150 1 18 . 1 1 47 47 MET H H 13 7.493 7.493 7.459 0.034 17707
7151 1 18 . 1 1 48 48 THR N N 14 118.968 118.968 116.530 2.438 17707
7152 1 18 . 1 1 48 48 THR HA H 14 4.534 4.534 4.320 0.214 17707
7153 1 18 . 1 1 48 48 THR CA C 14 60.656 60.656 64.285 -3.629 17707
7154 1 18 . 1 1 48 48 THR CB C 14 67.544 67.544 69.496 -1.952 17707
7155 1 18 . 1 1 48 48 THR H H 14 8.993 8.993 8.220 0.773 17707
7156 1 18 . 1 1 49 49 SER N N 15 123.365 123.365 117.718 5.647 17707
7157 1 18 . 1 1 49 49 SER HA H 15 5.017 5.017 5.023 -0.006 17707
7158 1 18 . 1 1 49 49 SER CB C 15 61.787 61.787 63.780 -1.993 17707
7159 1 18 . 1 1 49 49 SER H H 15 9.097 9.097 8.911 0.186 17707
7160 1 18 . 1 1 50 50 LEU N N 16 124.488 124.488 125.143 -0.655 17707
7161 1 18 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.148 0.860 17707
7162 1 18 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.849 -5.490 17707
7163 1 18 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.444 -2.342 17707
7164 1 18 . 1 1 50 50 LEU H H 16 9.495 9.495 7.621 1.874 17707
7165 1 18 . 1 1 51 51 LYS N N 17 123.276 123.276 121.162 2.114 17707
7166 1 18 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.265 -0.384 17707
7167 1 18 . 1 1 51 51 LYS CA C 17 52.425 52.425 53.781 -1.356 17707
7168 1 18 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.108 -3.776 17707
7169 1 18 . 1 1 51 51 LYS H H 17 9.239 9.239 8.945 0.294 17707
7170 1 18 . 1 1 52 52 VAL N N 18 130.086 130.086 117.635 12.451 17707
7171 1 18 . 1 1 52 52 VAL HA H 18 4.774 4.774 5.066 -0.292 17707
7172 1 18 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.672 -1.446 17707
7173 1 18 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.266 -4.344 17707
7174 1 18 . 1 1 52 52 VAL H H 18 9.136 9.136 7.760 1.376 17707
7175 1 18 . 1 1 53 53 ASP N N 19 125.621 125.621 124.224 1.397 17707
7176 1 18 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.101 0.077 17707
7177 1 18 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.145 -2.530 17707
7178 1 18 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.237 -2.690 17707
7179 1 18 . 1 1 53 53 ASP H H 19 9.312 9.312 8.676 0.636 17707
7180 1 18 . 1 1 54 54 ASN N N 20 112.496 112.496 115.116 -2.620 17707
7181 1 18 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.452 0.025 17707
7182 1 18 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.828 -2.812 17707
7183 1 18 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.673 -3.054 17707
7184 1 18 . 1 1 54 54 ASN H H 20 8.438 8.438 8.708 -0.270 17707
7185 1 18 . 1 1 55 55 LEU N N 21 114.844 114.844 118.766 -3.922 17707
7186 1 18 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.163 0.200 17707
7187 1 18 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.879 -4.872 17707
7188 1 18 . 1 1 55 55 LEU CB C 21 41.016 41.016 40.997 0.019 17707
7189 1 18 . 1 1 55 55 LEU H H 21 7.477 7.477 7.944 -0.467 17707
7190 1 18 . 1 1 56 56 THR N N 22 111.571 111.571 117.710 -6.139 17707
7191 1 18 . 1 1 56 56 THR HA H 22 4.361 4.361 4.421 -0.060 17707
7192 1 18 . 1 1 56 56 THR CA C 22 58.212 58.212 62.359 -4.147 17707
7193 1 18 . 1 1 56 56 THR CB C 22 68.233 68.233 69.972 -1.739 17707
7194 1 18 . 1 1 56 56 THR H H 22 8.341 8.341 7.825 0.516 17707
7195 1 18 . 1 1 57 57 TYR N N 23 122.008 122.008 119.274 2.734 17707
7196 1 18 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.290 0.020 17707
7197 1 18 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.333 -2.757 17707
7198 1 18 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.538 -3.353 17707
7199 1 18 . 1 1 57 57 TYR H H 23 8.587 8.587 8.960 -0.373 17707
7200 1 18 . 1 1 58 58 ARG N N 24 114.767 114.767 116.615 -1.848 17707
7201 1 18 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.492 -0.229 17707
7202 1 18 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.409 -2.313 17707
7203 1 18 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.718 -3.314 17707
7204 1 18 . 1 1 58 58 ARG H H 24 7.262 7.262 7.643 -0.381 17707
7205 1 18 . 1 1 59 59 THR N N 25 119.267 119.267 117.979 1.288 17707
7206 1 18 . 1 1 59 59 THR HA H 25 4.015 4.015 4.731 -0.716 17707
7207 1 18 . 1 1 59 59 THR CA C 25 62.247 62.247 60.982 1.265 17707
7208 1 18 . 1 1 59 59 THR CB C 25 65.785 65.785 71.204 -5.419 17707
7209 1 18 . 1 1 59 59 THR H H 25 7.348 7.348 7.772 -0.424 17707
7210 1 18 . 1 1 60 60 SER N N 26 124.341 124.341 114.379 9.962 17707
7211 1 18 . 1 1 60 60 SER HA H 26 4.861 4.861 4.948 -0.087 17707
7212 1 18 . 1 1 60 60 SER CA C 26 52.864 52.864 55.101 -2.237 17707
7213 1 18 . 1 1 60 60 SER CB C 26 61.783 61.783 64.883 -3.100 17707
7214 1 18 . 1 1 60 60 SER H H 26 8.319 8.319 8.264 0.055 17707
7215 1 18 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.317 -0.307 17707
7216 1 18 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.222 -2.139 17707
7217 1 18 . 1 1 62 62 ASP N N 28 115.615 115.615 117.882 -2.267 17707
7218 1 18 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.433 -0.057 17707
7219 1 18 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.613 -2.932 17707
7220 1 18 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.809 -2.557 17707
7221 1 18 . 1 1 62 62 ASP H H 28 8.020 8.020 8.498 -0.478 17707
7222 1 18 . 1 1 63 63 THR N N 29 118.079 118.079 117.511 0.568 17707
7223 1 18 . 1 1 63 63 THR HA H 29 3.902 3.902 4.108 -0.206 17707
7224 1 18 . 1 1 63 63 THR CA C 29 63.729 63.729 66.486 -2.757 17707
7225 1 18 . 1 1 63 63 THR CB C 29 65.634 65.634 68.998 -3.364 17707
7226 1 18 . 1 1 63 63 THR H H 29 7.766 7.766 7.456 0.310 17707
7227 1 18 . 1 1 64 64 LEU N N 30 118.985 118.985 120.668 -1.683 17707
7228 1 18 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.216 -0.163 17707
7229 1 18 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.736 -2.758 17707
7230 1 18 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.871 -1.040 17707
7231 1 18 . 1 1 64 64 LEU H H 30 7.495 7.495 8.288 -0.793 17707
7232 1 18 . 1 1 65 65 ARG N N 31 119.245 119.245 119.930 -0.685 17707
7233 1 18 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.150 -0.506 17707
7234 1 18 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.430 -0.074 17707
7235 1 18 . 1 1 65 65 ARG H H 31 8.583 8.583 7.647 0.936 17707
7236 1 18 . 1 1 66 66 ARG N N 32 115.695 115.695 119.152 -3.457 17707
7237 1 18 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.136 -0.064 17707
7238 1 18 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.034 -2.360 17707
7239 1 18 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.683 -2.125 17707
7240 1 18 . 1 1 66 66 ARG H H 32 7.707 7.707 7.695 0.012 17707
7241 1 18 . 1 1 67 67 VAL N N 33 115.500 115.500 119.162 -3.662 17707
7242 1 18 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.865 0.027 17707
7243 1 18 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.845 -3.189 17707
7244 1 18 . 1 1 67 67 VAL CB C 33 29.556 29.556 31.855 -2.300 17707
7245 1 18 . 1 1 67 67 VAL H H 33 7.739 7.739 8.414 -0.675 17707
7246 1 18 . 1 1 68 68 PHE N N 34 116.290 116.290 116.192 0.098 17707
7247 1 18 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.957 -0.459 17707
7248 1 18 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.216 0.812 17707
7249 1 18 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.677 -4.485 17707
7250 1 18 . 1 1 68 68 PHE H H 34 8.253 8.253 7.713 0.540 17707
7251 1 18 . 1 1 69 69 GLU N N 35 119.333 119.333 121.670 -2.337 17707
7252 1 18 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.063 0.972 17707
7253 1 18 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.394 -4.412 17707
7254 1 18 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.462 -3.288 17707
7255 1 18 . 1 1 69 69 GLU H H 35 8.583 8.583 8.659 -0.076 17707
7256 1 18 . 1 1 70 70 LYS N N 36 118.341 118.341 118.308 0.033 17707
7257 1 18 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.139 -0.247 17707
7258 1 18 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.349 -2.890 17707
7259 1 18 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.746 -2.522 17707
7260 1 18 . 1 1 70 70 LYS H H 36 6.871 6.871 7.937 -1.066 17707
7261 1 18 . 1 1 71 71 TYR N N 37 115.014 115.014 118.857 -3.843 17707
7262 1 18 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.356 -0.049 17707
7263 1 18 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.034 -3.800 17707
7264 1 18 . 1 1 71 71 TYR CB C 37 36.635 36.635 38.958 -2.323 17707
7265 1 18 . 1 1 71 71 TYR H H 37 7.611 7.611 7.689 -0.078 17707
7266 1 18 . 1 1 72 72 GLY N N 38 104.741 104.741 105.830 -1.089 17707
7267 1 18 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.366 -3.737 17707
7268 1 18 . 1 1 72 72 GLY H H 38 7.356 7.356 7.968 -0.612 17707
7269 1 18 . 1 1 73 73 ARG N N 39 115.783 115.783 119.309 -3.526 17707
7270 1 18 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.603 -0.235 17707
7271 1 18 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.180 -0.477 17707
7272 1 18 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.859 -5.007 17707
7273 1 18 . 1 1 73 73 ARG H H 39 7.990 7.990 8.069 -0.079 17707
7274 1 18 . 1 1 74 74 VAL N N 40 130.246 130.246 117.582 12.664 17707
7275 1 18 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.570 0.129 17707
7276 1 18 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.230 -1.747 17707
7277 1 18 . 1 1 74 74 VAL CB C 40 30.299 30.299 35.099 -4.800 17707
7278 1 18 . 1 1 74 74 VAL H H 40 8.846 8.846 8.392 0.454 17707
7279 1 18 . 1 1 75 75 GLY N N 41 114.952 114.952 111.157 3.795 17707
7280 1 18 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.523 -2.618 17707
7281 1 18 . 1 1 75 75 GLY H H 41 8.943 8.943 8.618 0.325 17707
7282 1 18 . 1 1 76 76 ASP N N 42 115.344 115.344 115.599 -0.255 17707
7283 1 18 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.753 -0.041 17707
7284 1 18 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.657 -1.143 17707
7285 1 18 . 1 1 76 76 ASP H H 42 7.224 7.224 7.524 -0.300 17707
7286 1 18 . 1 1 77 77 VAL N N 43 122.703 122.703 113.961 8.742 17707
7287 1 18 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.329 0.394 17707
7288 1 18 . 1 1 77 77 VAL CA C 43 59.347 59.347 60.284 -0.937 17707
7289 1 18 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.575 -1.993 17707
7290 1 18 . 1 1 77 77 VAL H H 43 7.551 7.551 7.961 -0.410 17707
7291 1 18 . 1 1 78 78 TYR N N 44 125.956 125.956 123.294 2.662 17707
7292 1 18 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.624 0.347 17707
7293 1 18 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.731 -4.425 17707
7294 1 18 . 1 1 78 78 TYR H H 44 9.023 9.023 7.634 1.389 17707
7295 1 18 . 1 1 79 79 ILE N N 45 129.856 129.856 124.885 4.971 17707
7296 1 18 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.413 -0.157 17707
7297 1 18 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.937 -2.539 17707
7298 1 18 . 1 1 79 79 ILE CB C 45 36.314 36.314 40.531 -4.217 17707
7299 1 18 . 1 1 79 79 ILE H H 45 8.231 8.231 7.946 0.285 17707
7300 1 18 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.543 -0.639 17707
7301 1 18 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.674 -4.033 17707
7302 1 18 . 1 1 81 81 ARG H H 47 8.593 8.593 8.594 -0.001 17707
7303 1 18 . 1 1 82 82 ASP N N 48 125.712 125.712 118.865 6.847 17707
7304 1 18 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.725 -0.343 17707
7305 1 18 . 1 1 82 82 ASP CA C 48 52.459 52.459 53.310 -0.851 17707
7306 1 18 . 1 1 82 82 ASP CB C 48 41.308 41.308 41.839 -0.531 17707
7307 1 18 . 1 1 82 82 ASP H H 48 8.948 8.948 8.337 0.611 17707
7308 1 18 . 1 1 83 83 ARG N N 49 125.207 125.207 118.891 6.316 17707
7309 1 18 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.755 -0.059 17707
7310 1 18 . 1 1 83 83 ARG CA C 49 55.614 55.614 58.581 -2.967 17707
7311 1 18 . 1 1 83 83 ARG H H 49 8.688 8.688 8.209 0.479 17707
7312 1 18 . 1 1 84 84 TYR N N 50 117.911 117.911 112.292 5.619 17707
7313 1 18 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.861 -0.267 17707
7314 1 18 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.420 -0.654 17707
7315 1 18 . 1 1 84 84 TYR CB C 50 36.187 36.187 39.677 -3.490 17707
7316 1 18 . 1 1 84 84 TYR H H 50 8.449 8.449 7.582 0.867 17707
7317 1 18 . 1 1 85 85 THR N N 51 110.450 110.450 110.290 0.160 17707
7318 1 18 . 1 1 85 85 THR HA H 51 4.230 4.230 4.240 -0.010 17707
7319 1 18 . 1 1 85 85 THR CA C 51 59.620 59.620 61.109 -1.489 17707
7320 1 18 . 1 1 85 85 THR CB C 51 67.745 67.745 69.496 -1.751 17707
7321 1 18 . 1 1 85 85 THR H H 51 9.141 9.141 7.661 1.480 17707
7322 1 18 . 1 1 86 86 LYS N N 52 113.570 113.570 116.664 -3.094 17707
7323 1 18 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.879 0.076 17707
7324 1 18 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.632 -3.204 17707
7325 1 18 . 1 1 86 86 LYS H H 52 7.821 7.821 8.219 -0.398 17707
7326 1 18 . 1 1 87 87 GLU N N 53 118.364 118.364 117.176 1.188 17707
7327 1 18 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.178 0.202 17707
7328 1 18 . 1 1 87 87 GLU CA C 53 52.641 52.641 57.203 -4.561 17707
7329 1 18 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.617 -0.776 17707
7330 1 18 . 1 1 87 87 GLU H H 53 7.714 7.714 7.902 -0.188 17707
7331 1 18 . 1 1 88 88 SER N N 54 115.692 115.692 114.627 1.065 17707
7332 1 18 . 1 1 88 88 SER CB C 54 61.369 61.369 64.491 -3.122 17707
7333 1 18 . 1 1 88 88 SER H H 54 8.705 8.705 7.529 1.176 17707
7334 1 18 . 1 1 89 89 ARG N N 55 122.170 122.170 120.648 1.522 17707
7335 1 18 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.394 -0.077 17707
7336 1 18 . 1 1 89 89 ARG CA C 55 53.794 53.794 56.275 -2.481 17707
7337 1 18 . 1 1 89 89 ARG H H 55 7.934 7.934 8.619 -0.685 17707
7338 1 18 . 1 1 90 90 GLY N N 56 106.948 106.948 109.533 -2.585 17707
7339 1 18 . 1 1 90 90 GLY CA C 56 43.275 43.275 46.563 -3.288 17707
7340 1 18 . 1 1 90 90 GLY H H 56 8.557 8.557 7.989 0.568 17707
7341 1 18 . 1 1 91 91 PHE N N 57 113.487 113.487 111.972 1.515 17707
7342 1 18 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.742 0.850 17707
7343 1 18 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.489 -2.578 17707
7344 1 18 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.452 -0.674 17707
7345 1 18 . 1 1 91 91 PHE H H 57 6.936 6.936 7.325 -0.389 17707
7346 1 18 . 1 1 92 92 ALA N N 58 117.841 117.841 122.080 -4.239 17707
7347 1 18 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.526 0.222 17707
7348 1 18 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.113 -4.578 17707
7349 1 18 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.539 3.059 17707
7350 1 18 . 1 1 92 92 ALA H H 58 8.848 8.848 8.201 0.647 17707
7351 1 18 . 1 1 93 93 PHE N N 59 115.981 115.981 126.842 -10.861 17707
7352 1 18 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.728 0.945 17707
7353 1 18 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.381 -4.519 17707
7354 1 18 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.295 -1.397 17707
7355 1 18 . 1 1 93 93 PHE H H 59 8.824 8.824 8.019 0.805 17707
7356 1 18 . 1 1 94 94 VAL N N 60 123.120 123.120 127.478 -4.358 17707
7357 1 18 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.018 0.286 17707
7358 1 18 . 1 1 94 94 VAL CA C 60 58.931 58.931 61.427 -2.496 17707
7359 1 18 . 1 1 94 94 VAL CB C 60 31.429 31.429 33.508 -2.079 17707
7360 1 18 . 1 1 94 94 VAL H H 60 8.581 8.581 7.763 0.818 17707
7361 1 18 . 1 1 95 95 ARG N N 61 123.954 123.954 124.227 -0.273 17707
7362 1 18 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.207 0.345 17707
7363 1 18 . 1 1 95 95 ARG CA C 61 50.515 50.515 53.730 -3.215 17707
7364 1 18 . 1 1 95 95 ARG H H 61 8.727 8.727 8.808 -0.081 17707
7365 1 18 . 1 1 96 96 PHE N N 62 121.921 121.921 124.353 -2.432 17707
7366 1 18 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.484 0.419 17707
7367 1 18 . 1 1 96 96 PHE CA C 62 54.566 54.566 57.229 -2.663 17707
7368 1 18 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.069 -2.183 17707
7369 1 18 . 1 1 96 96 PHE H H 62 9.127 9.127 8.221 0.906 17707
7370 1 18 . 1 1 97 97 HIS N N 63 120.064 120.064 113.249 6.815 17707
7371 1 18 . 1 1 97 97 HIS HA H 63 4.338 4.338 5.226 -0.888 17707
7372 1 18 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.016 2.245 17707
7373 1 18 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.183 -4.895 17707
7374 1 18 . 1 1 97 97 HIS H H 63 7.982 7.982 8.938 -0.956 17707
7375 1 18 . 1 1 98 98 ASP N N 64 119.665 119.665 122.179 -2.514 17707
7376 1 18 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.896 0.163 17707
7377 1 18 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.642 -4.447 17707
7378 1 18 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.746 -0.648 17707
7379 1 18 . 1 1 98 98 ASP H H 64 9.096 9.096 8.524 0.572 17707
7380 1 18 . 1 1 99 99 LYS N N 65 127.804 127.804 127.839 -0.035 17707
7381 1 18 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.930 -0.085 17707
7382 1 18 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.320 -1.924 17707
7383 1 18 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.417 -2.171 17707
7384 1 18 . 1 1 99 99 LYS H H 65 8.784 8.784 8.858 -0.074 17707
7385 1 18 . 1 1 100 100 ARG N N 66 118.451 118.451 116.216 2.235 17707
7386 1 18 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.119 -0.049 17707
7387 1 18 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.918 -2.779 17707
7388 1 18 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.893 -2.127 17707
7389 1 18 . 1 1 100 100 ARG H H 66 8.600 8.600 8.756 -0.156 17707
7390 1 18 . 1 1 101 101 ASP N N 67 119.627 119.627 119.321 0.306 17707
7391 1 18 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.721 -0.527 17707
7392 1 18 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.579 -2.346 17707
7393 1 18 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.872 -2.876 17707
7394 1 18 . 1 1 101 101 ASP H H 67 7.089 7.089 7.553 -0.464 17707
7395 1 18 . 1 1 102 102 ALA N N 68 119.421 119.421 124.155 -4.734 17707
7396 1 18 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.431 -0.467 17707
7397 1 18 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.031 -3.328 17707
7398 1 18 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.727 -3.059 17707
7399 1 18 . 1 1 102 102 ALA H H 68 6.832 6.832 8.018 -1.186 17707
7400 1 18 . 1 1 103 103 GLU N N 69 117.506 117.506 117.700 -0.194 17707
7401 1 18 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.906 -0.248 17707
7402 1 18 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.966 -1.804 17707
7403 1 18 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.331 -2.906 17707
7404 1 18 . 1 1 103 103 GLU H H 69 8.011 8.011 8.494 -0.483 17707
7405 1 18 . 1 1 104 104 ASP N N 70 120.487 120.487 120.377 0.110 17707
7406 1 18 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.439 -0.173 17707
7407 1 18 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.770 -2.283 17707
7408 1 18 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.058 -3.596 17707
7409 1 18 . 1 1 104 104 ASP H H 70 8.020 8.020 7.629 0.391 17707
7410 1 18 . 1 1 105 105 ALA N N 71 122.179 122.179 120.723 1.456 17707
7411 1 18 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.360 -0.585 17707
7412 1 18 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.601 -2.856 17707
7413 1 18 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.538 -1.329 17707
7414 1 18 . 1 1 105 105 ALA H H 71 8.118 8.118 7.303 0.815 17707
7415 1 18 . 1 1 106 106 MET N N 72 118.380 118.380 115.357 3.023 17707
7416 1 18 . 1 1 106 106 MET HA H 72 3.655 3.655 4.203 -0.548 17707
7417 1 18 . 1 1 106 106 MET CA C 72 57.188 57.188 58.533 -1.345 17707
7418 1 18 . 1 1 106 106 MET CB C 72 30.409 30.409 32.774 -2.365 17707
7419 1 18 . 1 1 106 106 MET H H 72 8.279 8.279 7.581 0.698 17707
7420 1 18 . 1 1 107 107 ASP N N 73 117.030 117.030 120.140 -3.110 17707
7421 1 18 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.537 -0.210 17707
7422 1 18 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.682 -1.623 17707
7423 1 18 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.905 -2.812 17707
7424 1 18 . 1 1 107 107 ASP H H 73 7.749 7.749 7.760 -0.011 17707
7425 1 18 . 1 1 108 108 ALA N N 74 117.995 117.995 118.991 -0.996 17707
7426 1 18 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.594 -0.470 17707
7427 1 18 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.607 -1.273 17707
7428 1 18 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.086 -2.427 17707
7429 1 18 . 1 1 108 108 ALA H H 74 7.347 7.347 7.471 -0.124 17707
7430 1 18 . 1 1 109 109 MET N N 75 112.202 112.202 117.147 -4.945 17707
7431 1 18 . 1 1 109 109 MET HA H 75 4.742 4.742 4.558 0.184 17707
7432 1 18 . 1 1 109 109 MET CA C 75 50.546 50.546 55.836 -5.290 17707
7433 1 18 . 1 1 109 109 MET H H 75 8.057 8.057 7.779 0.278 17707
7434 1 18 . 1 1 110 110 ASP N N 76 120.043 120.043 120.760 -0.717 17707
7435 1 18 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.460 -0.074 17707
7436 1 18 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.391 -1.446 17707
7437 1 18 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.162 -2.558 17707
7438 1 18 . 1 1 110 110 ASP H H 76 7.825 7.825 7.644 0.181 17707
7439 1 18 . 1 1 111 111 GLY N N 77 117.743 117.743 112.782 4.961 17707
7440 1 18 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.541 -2.525 17707
7441 1 18 . 1 1 111 111 GLY H H 77 8.636 8.636 8.284 0.352 17707
7442 1 18 . 1 1 112 112 ALA N N 78 123.755 123.755 123.412 0.343 17707
7443 1 18 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.475 -0.156 17707
7444 1 18 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.750 -2.714 17707
7445 1 18 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.689 -1.241 17707
7446 1 18 . 1 1 112 112 ALA H H 78 7.909 7.909 7.571 0.338 17707
7447 1 18 . 1 1 113 113 VAL N N 79 118.703 118.703 118.044 0.659 17707
7448 1 18 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.958 0.655 17707
7449 1 18 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.435 -2.863 17707
7450 1 18 . 1 1 113 113 VAL H H 79 8.083 8.083 7.222 0.861 17707
7451 1 18 . 1 1 114 114 LEU N N 80 129.473 129.473 118.388 11.085 17707
7452 1 18 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.807 -0.264 17707
7453 1 18 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.520 -3.578 17707
7454 1 18 . 1 1 114 114 LEU CB C 80 42.585 42.585 43.101 -0.516 17707
7455 1 18 . 1 1 114 114 LEU H H 80 8.895 8.895 8.014 0.881 17707
7456 1 18 . 1 1 115 115 ASP N N 81 129.660 129.660 119.010 10.650 17707
7457 1 18 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.766 -0.537 17707
7458 1 18 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.775 -1.523 17707
7459 1 18 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.760 -4.488 17707
7460 1 18 . 1 1 115 115 ASP H H 81 9.428 9.428 8.361 1.067 17707
7461 1 18 . 1 1 116 116 GLY N N 82 100.557 100.557 107.804 -7.247 17707
7462 1 18 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.910 -2.029 17707
7463 1 18 . 1 1 116 116 GLY H H 82 7.978 7.978 8.015 -0.037 17707
7464 1 18 . 1 1 117 117 ARG N N 83 120.104 120.104 120.146 -0.042 17707
7465 1 18 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.519 0.031 17707
7466 1 18 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.788 -4.682 17707
7467 1 18 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.466 -0.821 17707
7468 1 18 . 1 1 117 117 ARG H H 83 7.493 7.493 7.558 -0.065 17707
7469 1 18 . 1 1 118 118 GLU N N 84 121.206 121.206 121.357 -0.151 17707
7470 1 18 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.602 -0.299 17707
7471 1 18 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.492 -3.063 17707
7472 1 18 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.829 -4.703 17707
7473 1 18 . 1 1 118 118 GLU H H 84 8.352 8.352 8.645 -0.293 17707
7474 1 18 . 1 1 119 119 LEU N N 85 127.970 127.970 119.157 8.813 17707
7475 1 18 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.969 -0.407 17707
7476 1 18 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.142 -0.619 17707
7477 1 18 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.305 -4.494 17707
7478 1 18 . 1 1 119 119 LEU H H 85 9.349 9.349 7.755 1.594 17707
7479 1 18 . 1 1 120 120 ARG N N 86 121.001 121.001 120.391 0.610 17707
7480 1 18 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.065 0.109 17707
7481 1 18 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.603 -3.008 17707
7482 1 18 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.252 -2.559 17707
7483 1 18 . 1 1 120 120 ARG H H 86 7.512 7.512 8.184 -0.672 17707
7484 1 18 . 1 1 121 121 VAL N N 87 125.999 125.999 123.074 2.925 17707
7485 1 18 . 1 1 121 121 VAL HA H 87 4.938 4.938 5.030 -0.092 17707
7486 1 18 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.799 -2.033 17707
7487 1 18 . 1 1 121 121 VAL H H 87 9.437 9.437 8.804 0.633 17707
7488 1 18 . 1 1 122 122 GLN N N 88 121.684 121.684 121.997 -0.313 17707
7489 1 18 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.638 0.331 17707
7490 1 18 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.946 -3.047 17707
7491 1 18 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.930 -2.773 17707
7492 1 18 . 1 1 122 122 GLN H H 88 8.301 8.301 8.617 -0.316 17707
7493 1 18 . 1 1 123 123 MET N N 89 121.937 121.937 120.025 1.912 17707
7494 1 18 . 1 1 123 123 MET HA H 89 4.529 4.529 4.684 -0.155 17707
7495 1 18 . 1 1 123 123 MET CA C 89 53.328 53.328 54.807 -1.479 17707
7496 1 18 . 1 1 123 123 MET CB C 89 28.750 28.750 33.291 -4.541 17707
7497 1 18 . 1 1 123 123 MET H H 89 8.714 8.714 8.903 -0.189 17707
7498 1 18 . 1 1 124 124 ALA N N 90 126.984 126.984 125.746 1.238 17707
7499 1 18 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.361 0.056 17707
7500 1 18 . 1 1 124 124 ALA CA C 90 49.803 49.803 53.294 -3.491 17707
7501 1 18 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.698 -4.446 17707
7502 1 18 . 1 1 124 124 ALA H H 90 8.437 8.437 7.978 0.459 17707
7503 1 18 . 1 1 125 125 ARG H H 91 9.886 9.886 8.682 1.204 17707
7504 1 18 . 1 1 127 127 GLY CA C 93 41.736 41.736 43.906 -2.170 17707
7505 1 18 . 1 1 128 128 ARG N N 94 120.921 120.921 121.138 -0.217 17707
7506 1 18 . 1 1 128 128 ARG H H 94 8.245 8.245 8.147 0.098 17707
7507 1 18 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.666 -0.073 17707
7508 1 18 . 1 1 129 129 PRO CA C 95 58.989 58.989 61.585 -2.596 17707
7509 1 18 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.440 -0.123 17707
7510 1 18 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.180 -3.785 17707
7511 1 18 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.328 -3.067 17707
7512 1 18 . 1 1 131 131 ASP N N 97 119.855 119.855 116.548 3.307 17707
7513 1 18 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.767 -0.275 17707
7514 1 18 . 1 1 131 131 ASP CA C 97 51.415 51.415 54.661 -3.246 17707
7515 1 18 . 1 1 131 131 ASP CB C 97 38.553 38.553 41.561 -3.008 17707
7516 1 18 . 1 1 131 131 ASP H H 97 8.196 8.196 7.881 0.315 17707
7517 1 18 . 1 1 132 132 SER N N 98 116.150 116.150 118.221 -2.071 17707
7518 1 18 . 1 1 132 132 SER HA H 98 4.286 4.286 4.677 -0.391 17707
7519 1 18 . 1 1 132 132 SER CA C 98 55.729 55.729 58.261 -2.532 17707
7520 1 18 . 1 1 132 132 SER CB C 98 61.088 61.088 64.813 -3.725 17707
7521 1 18 . 1 1 132 132 SER H H 98 8.070 8.070 8.622 -0.552 17707
7522 1 18 . 1 1 133 133 HIS N N 99 119.771 119.771 119.280 0.491 17707
7523 1 18 . 1 1 133 133 HIS CB C 99 27.067 27.067 31.851 -4.784 17707
7524 1 18 . 1 1 133 133 HIS H H 99 8.322 8.322 7.978 0.344 17707
7525 1 19 . 1 1 36 36 SER N N 2 116.365 116.365 120.794 -4.429 17707
7526 1 19 . 1 1 36 36 SER HA H 2 4.398 4.398 4.267 0.131 17707
7527 1 19 . 1 1 36 36 SER CA C 2 55.706 55.706 58.631 -2.925 17707
7528 1 19 . 1 1 36 36 SER CB C 2 61.260 61.260 63.437 -2.177 17707
7529 1 19 . 1 1 36 36 SER H H 2 8.112 8.112 8.409 -0.297 17707
7530 1 19 . 1 1 37 37 TYR N N 3 121.885 121.885 118.183 3.702 17707
7531 1 19 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.223 0.411 17707
7532 1 19 . 1 1 37 37 TYR CB C 3 36.183 36.183 35.616 0.567 17707
7533 1 19 . 1 1 37 37 TYR H H 3 8.155 8.155 8.871 -0.716 17707
7534 1 19 . 1 1 38 38 GLY N N 4 109.771 109.771 107.938 1.833 17707
7535 1 19 . 1 1 38 38 GLY H H 4 8.332 8.332 8.050 0.282 17707
7536 1 19 . 1 1 39 39 ARG N N 5 121.087 121.087 116.843 4.244 17707
7537 1 19 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.173 0.368 17707
7538 1 19 . 1 1 39 39 ARG CA C 5 51.195 51.195 56.089 -4.894 17707
7539 1 19 . 1 1 39 39 ARG H H 5 8.224 8.224 8.246 -0.022 17707
7540 1 19 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.715 -0.476 17707
7541 1 19 . 1 1 40 40 PRO CA C 6 58.394 58.394 62.048 -3.654 17707
7542 1 19 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.771 -0.387 17707
7543 1 19 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.105 -3.533 17707
7544 1 19 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.651 -0.378 17707
7545 1 19 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.548 -2.417 17707
7546 1 19 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.180 -4.083 17707
7547 1 19 . 1 1 43 43 ASP N N 9 119.118 119.118 117.765 1.353 17707
7548 1 19 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.748 -0.236 17707
7549 1 19 . 1 1 43 43 ASP CA C 9 51.541 51.541 54.360 -2.819 17707
7550 1 19 . 1 1 43 43 ASP CB C 9 37.499 37.499 40.869 -3.370 17707
7551 1 19 . 1 1 43 43 ASP H H 9 8.425 8.425 8.693 -0.268 17707
7552 1 19 . 1 1 44 44 VAL N N 10 118.278 118.278 118.681 -0.403 17707
7553 1 19 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.809 0.397 17707
7554 1 19 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.173 -5.010 17707
7555 1 19 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.338 -2.340 17707
7556 1 19 . 1 1 44 44 VAL H H 10 7.882 7.882 7.886 -0.004 17707
7557 1 19 . 1 1 45 45 GLU N N 11 123.222 123.222 119.690 3.532 17707
7558 1 19 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.214 -0.166 17707
7559 1 19 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.994 -1.147 17707
7560 1 19 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.809 -2.362 17707
7561 1 19 . 1 1 45 45 GLU H H 11 8.328 8.328 8.706 -0.378 17707
7562 1 19 . 1 1 46 46 GLY N N 12 108.993 108.993 108.474 0.519 17707
7563 1 19 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.219 -2.520 17707
7564 1 19 . 1 1 46 46 GLY H H 12 8.361 8.361 7.949 0.412 17707
7565 1 19 . 1 1 47 47 MET N N 13 118.074 118.074 117.585 0.489 17707
7566 1 19 . 1 1 47 47 MET HA H 13 4.584 4.584 4.828 -0.244 17707
7567 1 19 . 1 1 47 47 MET CB C 13 31.447 31.447 34.738 -3.291 17707
7568 1 19 . 1 1 47 47 MET H H 13 7.493 7.493 7.598 -0.105 17707
7569 1 19 . 1 1 48 48 THR N N 14 118.968 118.968 119.535 -0.567 17707
7570 1 19 . 1 1 48 48 THR HA H 14 4.534 4.534 4.375 0.159 17707
7571 1 19 . 1 1 48 48 THR CA C 14 60.656 60.656 63.162 -2.506 17707
7572 1 19 . 1 1 48 48 THR CB C 14 67.544 67.544 68.071 -0.527 17707
7573 1 19 . 1 1 48 48 THR H H 14 8.993 8.993 8.703 0.290 17707
7574 1 19 . 1 1 49 49 SER N N 15 123.365 123.365 124.441 -1.076 17707
7575 1 19 . 1 1 49 49 SER HA H 15 5.017 5.017 4.667 0.350 17707
7576 1 19 . 1 1 49 49 SER CB C 15 61.787 61.787 62.778 -0.991 17707
7577 1 19 . 1 1 49 49 SER H H 15 9.097 9.097 8.497 0.600 17707
7578 1 19 . 1 1 50 50 LEU N N 16 124.488 124.488 126.238 -1.750 17707
7579 1 19 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.687 0.321 17707
7580 1 19 . 1 1 50 50 LEU CA C 16 50.359 50.359 53.403 -3.044 17707
7581 1 19 . 1 1 50 50 LEU CB C 16 41.102 41.102 44.723 -3.621 17707
7582 1 19 . 1 1 50 50 LEU H H 16 9.495 9.495 7.927 1.568 17707
7583 1 19 . 1 1 51 51 LYS N N 17 123.276 123.276 125.506 -2.230 17707
7584 1 19 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.085 -0.204 17707
7585 1 19 . 1 1 51 51 LYS CA C 17 52.425 52.425 53.698 -1.273 17707
7586 1 19 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.642 -3.311 17707
7587 1 19 . 1 1 51 51 LYS H H 17 9.239 9.239 7.968 1.271 17707
7588 1 19 . 1 1 52 52 VAL N N 18 130.086 130.086 114.343 15.743 17707
7589 1 19 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.959 -0.185 17707
7590 1 19 . 1 1 52 52 VAL CA C 18 58.226 58.226 59.220 -0.994 17707
7591 1 19 . 1 1 52 52 VAL CB C 18 30.922 30.922 34.749 -3.827 17707
7592 1 19 . 1 1 52 52 VAL H H 18 9.136 9.136 7.562 1.574 17707
7593 1 19 . 1 1 53 53 ASP N N 19 125.621 125.621 122.908 2.713 17707
7594 1 19 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.086 0.092 17707
7595 1 19 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.278 -2.664 17707
7596 1 19 . 1 1 53 53 ASP CB C 19 42.547 42.547 44.992 -2.445 17707
7597 1 19 . 1 1 53 53 ASP H H 19 9.312 9.312 8.871 0.441 17707
7598 1 19 . 1 1 54 54 ASN N N 20 112.496 112.496 115.093 -2.597 17707
7599 1 19 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.466 0.011 17707
7600 1 19 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.811 -2.795 17707
7601 1 19 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.600 -2.981 17707
7602 1 19 . 1 1 54 54 ASN H H 20 8.438 8.438 8.692 -0.254 17707
7603 1 19 . 1 1 55 55 LEU N N 21 114.844 114.844 118.706 -3.862 17707
7604 1 19 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.158 0.205 17707
7605 1 19 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.974 -4.967 17707
7606 1 19 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.076 -0.060 17707
7607 1 19 . 1 1 55 55 LEU H H 21 7.477 7.477 7.873 -0.396 17707
7608 1 19 . 1 1 56 56 THR N N 22 111.571 111.571 117.641 -6.070 17707
7609 1 19 . 1 1 56 56 THR HA H 22 4.361 4.361 4.441 -0.080 17707
7610 1 19 . 1 1 56 56 THR CA C 22 58.212 58.212 61.979 -3.767 17707
7611 1 19 . 1 1 56 56 THR CB C 22 68.233 68.233 70.148 -1.915 17707
7612 1 19 . 1 1 56 56 THR H H 22 8.341 8.341 7.829 0.512 17707
7613 1 19 . 1 1 57 57 TYR N N 23 122.008 122.008 119.067 2.941 17707
7614 1 19 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.376 -0.066 17707
7615 1 19 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.501 -2.925 17707
7616 1 19 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.332 -3.147 17707
7617 1 19 . 1 1 57 57 TYR H H 23 8.587 8.587 8.876 -0.289 17707
7618 1 19 . 1 1 58 58 ARG N N 24 114.767 114.767 115.408 -0.641 17707
7619 1 19 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.607 -0.344 17707
7620 1 19 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.652 -2.556 17707
7621 1 19 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.085 -2.681 17707
7622 1 19 . 1 1 58 58 ARG H H 24 7.262 7.262 7.725 -0.463 17707
7623 1 19 . 1 1 59 59 THR N N 25 119.267 119.267 116.926 2.341 17707
7624 1 19 . 1 1 59 59 THR HA H 25 4.015 4.015 4.646 -0.631 17707
7625 1 19 . 1 1 59 59 THR CA C 25 62.247 62.247 61.221 1.026 17707
7626 1 19 . 1 1 59 59 THR CB C 25 65.785 65.785 70.718 -4.933 17707
7627 1 19 . 1 1 59 59 THR H H 25 7.348 7.348 7.648 -0.300 17707
7628 1 19 . 1 1 60 60 SER N N 26 124.341 124.341 115.349 8.992 17707
7629 1 19 . 1 1 60 60 SER HA H 26 4.861 4.861 5.025 -0.164 17707
7630 1 19 . 1 1 60 60 SER CA C 26 52.864 52.864 55.481 -2.617 17707
7631 1 19 . 1 1 60 60 SER CB C 26 61.783 61.783 64.748 -2.965 17707
7632 1 19 . 1 1 60 60 SER H H 26 8.319 8.319 8.099 0.220 17707
7633 1 19 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.383 -0.373 17707
7634 1 19 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.223 -2.140 17707
7635 1 19 . 1 1 62 62 ASP N N 28 115.615 115.615 117.070 -1.455 17707
7636 1 19 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.496 -0.120 17707
7637 1 19 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.307 -2.626 17707
7638 1 19 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.855 -2.603 17707
7639 1 19 . 1 1 62 62 ASP H H 28 8.020 8.020 8.564 -0.544 17707
7640 1 19 . 1 1 63 63 THR N N 29 118.079 118.079 116.951 1.128 17707
7641 1 19 . 1 1 63 63 THR HA H 29 3.902 3.902 4.223 -0.321 17707
7642 1 19 . 1 1 63 63 THR CA C 29 63.729 63.729 66.543 -2.814 17707
7643 1 19 . 1 1 63 63 THR CB C 29 65.634 65.634 69.004 -3.370 17707
7644 1 19 . 1 1 63 63 THR H H 29 7.766 7.766 7.358 0.408 17707
7645 1 19 . 1 1 64 64 LEU N N 30 118.985 118.985 121.223 -2.238 17707
7646 1 19 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.260 -0.207 17707
7647 1 19 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.752 -2.774 17707
7648 1 19 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.820 -0.989 17707
7649 1 19 . 1 1 64 64 LEU H H 30 7.495 7.495 8.553 -1.058 17707
7650 1 19 . 1 1 65 65 ARG N N 31 119.245 119.245 119.836 -0.591 17707
7651 1 19 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.187 -0.543 17707
7652 1 19 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.682 -0.327 17707
7653 1 19 . 1 1 65 65 ARG H H 31 8.583 8.583 7.780 0.803 17707
7654 1 19 . 1 1 66 66 ARG N N 32 115.695 115.695 119.337 -3.642 17707
7655 1 19 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.172 -0.100 17707
7656 1 19 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.069 -2.395 17707
7657 1 19 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.525 -1.967 17707
7658 1 19 . 1 1 66 66 ARG H H 32 7.707 7.707 7.771 -0.064 17707
7659 1 19 . 1 1 67 67 VAL N N 33 115.500 115.500 119.203 -3.703 17707
7660 1 19 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.860 0.032 17707
7661 1 19 . 1 1 67 67 VAL CA C 33 62.656 62.656 66.191 -3.535 17707
7662 1 19 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.085 -2.529 17707
7663 1 19 . 1 1 67 67 VAL H H 33 7.739 7.739 8.355 -0.616 17707
7664 1 19 . 1 1 68 68 PHE N N 34 116.290 116.290 116.090 0.200 17707
7665 1 19 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.925 -0.427 17707
7666 1 19 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.547 0.481 17707
7667 1 19 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.675 -4.483 17707
7668 1 19 . 1 1 68 68 PHE H H 34 8.253 8.253 7.687 0.566 17707
7669 1 19 . 1 1 69 69 GLU N N 35 119.333 119.333 121.755 -2.422 17707
7670 1 19 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.046 0.989 17707
7671 1 19 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.389 -4.407 17707
7672 1 19 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.476 -3.302 17707
7673 1 19 . 1 1 69 69 GLU H H 35 8.583 8.583 8.738 -0.154 17707
7674 1 19 . 1 1 70 70 LYS N N 36 118.341 118.341 118.213 0.128 17707
7675 1 19 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.122 -0.230 17707
7676 1 19 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.322 -2.863 17707
7677 1 19 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.719 -2.495 17707
7678 1 19 . 1 1 70 70 LYS H H 36 6.871 6.871 7.910 -1.039 17707
7679 1 19 . 1 1 71 71 TYR N N 37 115.014 115.014 118.430 -3.416 17707
7680 1 19 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.364 -0.057 17707
7681 1 19 . 1 1 71 71 TYR CA C 37 56.234 56.234 59.987 -3.753 17707
7682 1 19 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.151 -2.515 17707
7683 1 19 . 1 1 71 71 TYR H H 37 7.611 7.611 7.687 -0.076 17707
7684 1 19 . 1 1 72 72 GLY N N 38 104.741 104.741 104.417 0.324 17707
7685 1 19 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.333 -3.704 17707
7686 1 19 . 1 1 72 72 GLY H H 38 7.356 7.356 7.987 -0.631 17707
7687 1 19 . 1 1 73 73 ARG N N 39 115.783 115.783 119.382 -3.599 17707
7688 1 19 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.582 -0.214 17707
7689 1 19 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.139 -0.436 17707
7690 1 19 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.996 -5.144 17707
7691 1 19 . 1 1 73 73 ARG H H 39 7.990 7.990 7.641 0.349 17707
7692 1 19 . 1 1 74 74 VAL N N 40 130.246 130.246 119.003 11.243 17707
7693 1 19 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.621 0.078 17707
7694 1 19 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.046 -1.563 17707
7695 1 19 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.726 -4.427 17707
7696 1 19 . 1 1 74 74 VAL H H 40 8.846 8.846 8.349 0.497 17707
7697 1 19 . 1 1 75 75 GLY N N 41 114.952 114.952 113.883 1.069 17707
7698 1 19 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.445 -2.540 17707
7699 1 19 . 1 1 75 75 GLY H H 41 8.943 8.943 8.661 0.282 17707
7700 1 19 . 1 1 76 76 ASP N N 42 115.344 115.344 117.897 -2.553 17707
7701 1 19 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.749 -0.037 17707
7702 1 19 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.755 -1.241 17707
7703 1 19 . 1 1 76 76 ASP H H 42 7.224 7.224 7.507 -0.283 17707
7704 1 19 . 1 1 77 77 VAL N N 43 122.703 122.703 120.379 2.324 17707
7705 1 19 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.317 0.406 17707
7706 1 19 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.437 -2.090 17707
7707 1 19 . 1 1 77 77 VAL CB C 43 32.582 32.582 32.527 0.055 17707
7708 1 19 . 1 1 77 77 VAL H H 43 7.551 7.551 8.451 -0.900 17707
7709 1 19 . 1 1 78 78 TYR N N 44 125.956 125.956 127.895 -1.939 17707
7710 1 19 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.672 0.299 17707
7711 1 19 . 1 1 78 78 TYR CA C 44 53.306 53.306 58.798 -5.492 17707
7712 1 19 . 1 1 78 78 TYR H H 44 9.023 9.023 8.113 0.910 17707
7713 1 19 . 1 1 79 79 ILE N N 45 129.856 129.856 125.617 4.239 17707
7714 1 19 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.543 -0.287 17707
7715 1 19 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.603 -2.205 17707
7716 1 19 . 1 1 79 79 ILE CB C 45 36.314 36.314 41.450 -5.136 17707
7717 1 19 . 1 1 79 79 ILE H H 45 8.231 8.231 8.077 0.154 17707
7718 1 19 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.405 -0.501 17707
7719 1 19 . 1 1 80 80 PRO CA C 46 59.641 59.641 63.251 -3.610 17707
7720 1 19 . 1 1 81 81 ARG H H 47 8.593 8.593 8.436 0.157 17707
7721 1 19 . 1 1 82 82 ASP N N 48 125.712 125.712 119.206 6.506 17707
7722 1 19 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.154 0.228 17707
7723 1 19 . 1 1 82 82 ASP CA C 48 52.459 52.459 55.613 -3.154 17707
7724 1 19 . 1 1 82 82 ASP CB C 48 41.308 41.308 39.630 1.678 17707
7725 1 19 . 1 1 82 82 ASP H H 48 8.948 8.948 8.633 0.315 17707
7726 1 19 . 1 1 83 83 ARG N N 49 125.207 125.207 114.565 10.642 17707
7727 1 19 . 1 1 83 83 ARG HA H 49 3.696 3.696 3.927 -0.231 17707
7728 1 19 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.983 -2.369 17707
7729 1 19 . 1 1 83 83 ARG H H 49 8.688 8.688 8.667 0.021 17707
7730 1 19 . 1 1 84 84 TYR N N 50 117.911 117.911 110.138 7.773 17707
7731 1 19 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.787 -0.193 17707
7732 1 19 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.064 -0.298 17707
7733 1 19 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.981 -2.794 17707
7734 1 19 . 1 1 84 84 TYR H H 50 8.449 8.449 7.036 1.413 17707
7735 1 19 . 1 1 85 85 THR N N 51 110.450 110.450 111.047 -0.597 17707
7736 1 19 . 1 1 85 85 THR HA H 51 4.230 4.230 4.408 -0.178 17707
7737 1 19 . 1 1 85 85 THR CA C 51 59.620 59.620 61.467 -1.847 17707
7738 1 19 . 1 1 85 85 THR CB C 51 67.745 67.745 71.444 -3.699 17707
7739 1 19 . 1 1 85 85 THR H H 51 9.141 9.141 7.201 1.940 17707
7740 1 19 . 1 1 86 86 LYS N N 52 113.570 113.570 119.224 -5.654 17707
7741 1 19 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.786 0.169 17707
7742 1 19 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.711 -3.283 17707
7743 1 19 . 1 1 86 86 LYS H H 52 7.821 7.821 8.106 -0.285 17707
7744 1 19 . 1 1 87 87 GLU N N 53 118.364 118.364 119.818 -1.454 17707
7745 1 19 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.173 0.207 17707
7746 1 19 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.920 -4.279 17707
7747 1 19 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.432 -1.591 17707
7748 1 19 . 1 1 87 87 GLU H H 53 7.714 7.714 7.722 -0.008 17707
7749 1 19 . 1 1 88 88 SER N N 54 115.692 115.692 112.393 3.299 17707
7750 1 19 . 1 1 88 88 SER CB C 54 61.369 61.369 63.926 -2.557 17707
7751 1 19 . 1 1 88 88 SER H H 54 8.705 8.705 8.166 0.539 17707
7752 1 19 . 1 1 89 89 ARG N N 55 122.170 122.170 121.481 0.689 17707
7753 1 19 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.590 -0.273 17707
7754 1 19 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.303 -1.509 17707
7755 1 19 . 1 1 89 89 ARG H H 55 7.934 7.934 8.670 -0.736 17707
7756 1 19 . 1 1 90 90 GLY N N 56 106.948 106.948 108.506 -1.558 17707
7757 1 19 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.351 -2.076 17707
7758 1 19 . 1 1 90 90 GLY H H 56 8.557 8.557 7.909 0.648 17707
7759 1 19 . 1 1 91 91 PHE N N 57 113.487 113.487 112.996 0.491 17707
7760 1 19 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.999 0.593 17707
7761 1 19 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.425 -3.514 17707
7762 1 19 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.998 -1.220 17707
7763 1 19 . 1 1 91 91 PHE H H 57 6.936 6.936 7.020 -0.084 17707
7764 1 19 . 1 1 92 92 ALA N N 58 117.841 117.841 122.606 -4.765 17707
7765 1 19 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.665 0.083 17707
7766 1 19 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.461 -4.926 17707
7767 1 19 . 1 1 92 92 ALA CB C 58 23.598 23.598 21.022 2.576 17707
7768 1 19 . 1 1 92 92 ALA H H 58 8.848 8.848 8.351 0.497 17707
7769 1 19 . 1 1 93 93 PHE N N 59 115.981 115.981 128.233 -12.252 17707
7770 1 19 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.969 0.704 17707
7771 1 19 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.544 -3.682 17707
7772 1 19 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.282 -1.384 17707
7773 1 19 . 1 1 93 93 PHE H H 59 8.824 8.824 8.423 0.401 17707
7774 1 19 . 1 1 94 94 VAL N N 60 123.120 123.120 127.283 -4.163 17707
7775 1 19 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.058 0.246 17707
7776 1 19 . 1 1 94 94 VAL CA C 60 58.931 58.931 62.631 -3.700 17707
7777 1 19 . 1 1 94 94 VAL CB C 60 31.429 31.429 32.792 -1.363 17707
7778 1 19 . 1 1 94 94 VAL H H 60 8.581 8.581 7.856 0.725 17707
7779 1 19 . 1 1 95 95 ARG N N 61 123.954 123.954 120.831 3.123 17707
7780 1 19 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.078 0.474 17707
7781 1 19 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.403 -3.888 17707
7782 1 19 . 1 1 95 95 ARG H H 61 8.727 8.727 8.815 -0.088 17707
7783 1 19 . 1 1 96 96 PHE N N 62 121.921 121.921 122.719 -0.798 17707
7784 1 19 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.626 0.277 17707
7785 1 19 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.468 -1.902 17707
7786 1 19 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.016 -3.130 17707
7787 1 19 . 1 1 96 96 PHE H H 62 9.127 9.127 9.135 -0.008 17707
7788 1 19 . 1 1 97 97 HIS N N 63 120.064 120.064 112.819 7.245 17707
7789 1 19 . 1 1 97 97 HIS HA H 63 4.338 4.338 5.057 -0.719 17707
7790 1 19 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.709 1.552 17707
7791 1 19 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.106 -4.818 17707
7792 1 19 . 1 1 97 97 HIS H H 63 7.982 7.982 9.069 -1.087 17707
7793 1 19 . 1 1 98 98 ASP N N 64 119.665 119.665 122.581 -2.916 17707
7794 1 19 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.860 0.199 17707
7795 1 19 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.612 -4.417 17707
7796 1 19 . 1 1 98 98 ASP CB C 64 41.098 41.098 41.811 -0.713 17707
7797 1 19 . 1 1 98 98 ASP H H 64 9.096 9.096 8.302 0.794 17707
7798 1 19 . 1 1 99 99 LYS N N 65 127.804 127.804 128.133 -0.329 17707
7799 1 19 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.876 -0.031 17707
7800 1 19 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.977 -2.582 17707
7801 1 19 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.432 -2.186 17707
7802 1 19 . 1 1 99 99 LYS H H 65 8.784 8.784 8.861 -0.077 17707
7803 1 19 . 1 1 100 100 ARG N N 66 118.451 118.451 115.520 2.931 17707
7804 1 19 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.105 -0.035 17707
7805 1 19 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.412 -2.273 17707
7806 1 19 . 1 1 100 100 ARG CB C 66 26.766 26.766 29.239 -2.473 17707
7807 1 19 . 1 1 100 100 ARG H H 66 8.600 8.600 8.720 -0.120 17707
7808 1 19 . 1 1 101 101 ASP N N 67 119.627 119.627 116.705 2.922 17707
7809 1 19 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.836 -0.642 17707
7810 1 19 . 1 1 101 101 ASP CA C 67 54.233 54.233 54.829 -0.596 17707
7811 1 19 . 1 1 101 101 ASP CB C 67 37.996 37.996 41.059 -3.063 17707
7812 1 19 . 1 1 101 101 ASP H H 67 7.089 7.089 7.954 -0.865 17707
7813 1 19 . 1 1 102 102 ALA N N 68 119.421 119.421 124.411 -4.990 17707
7814 1 19 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.704 -0.740 17707
7815 1 19 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.232 -3.529 17707
7816 1 19 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.998 -3.330 17707
7817 1 19 . 1 1 102 102 ALA H H 68 6.832 6.832 7.940 -1.108 17707
7818 1 19 . 1 1 103 103 GLU N N 69 117.506 117.506 116.725 0.781 17707
7819 1 19 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.985 -0.327 17707
7820 1 19 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.719 -1.558 17707
7821 1 19 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.404 -2.979 17707
7822 1 19 . 1 1 103 103 GLU H H 69 8.011 8.011 8.662 -0.651 17707
7823 1 19 . 1 1 104 104 ASP N N 70 120.487 120.487 120.863 -0.376 17707
7824 1 19 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.420 -0.154 17707
7825 1 19 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.787 -2.299 17707
7826 1 19 . 1 1 104 104 ASP CB C 70 37.462 37.462 40.933 -3.471 17707
7827 1 19 . 1 1 104 104 ASP H H 70 8.020 8.020 7.774 0.246 17707
7828 1 19 . 1 1 105 105 ALA N N 71 122.179 122.179 120.523 1.656 17707
7829 1 19 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.150 -0.375 17707
7830 1 19 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.487 -2.742 17707
7831 1 19 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.326 -1.118 17707
7832 1 19 . 1 1 105 105 ALA H H 71 8.118 8.118 7.322 0.796 17707
7833 1 19 . 1 1 106 106 MET N N 72 118.380 118.380 117.098 1.282 17707
7834 1 19 . 1 1 106 106 MET HA H 72 3.655 3.655 4.108 -0.453 17707
7835 1 19 . 1 1 106 106 MET CA C 72 57.188 57.188 58.504 -1.316 17707
7836 1 19 . 1 1 106 106 MET CB C 72 30.409 30.409 32.798 -2.389 17707
7837 1 19 . 1 1 106 106 MET H H 72 8.279 8.279 7.441 0.838 17707
7838 1 19 . 1 1 107 107 ASP N N 73 117.030 117.030 118.670 -1.640 17707
7839 1 19 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.556 -0.229 17707
7840 1 19 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.582 -1.523 17707
7841 1 19 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.923 -2.830 17707
7842 1 19 . 1 1 107 107 ASP H H 73 7.749 7.749 8.000 -0.251 17707
7843 1 19 . 1 1 108 108 ALA N N 74 117.995 117.995 120.161 -2.166 17707
7844 1 19 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.585 -0.461 17707
7845 1 19 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.536 -1.202 17707
7846 1 19 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.498 -2.839 17707
7847 1 19 . 1 1 108 108 ALA H H 74 7.347 7.347 7.310 0.037 17707
7848 1 19 . 1 1 109 109 MET N N 75 112.202 112.202 116.042 -3.840 17707
7849 1 19 . 1 1 109 109 MET HA H 75 4.742 4.742 4.546 0.196 17707
7850 1 19 . 1 1 109 109 MET CA C 75 50.546 50.546 55.557 -5.011 17707
7851 1 19 . 1 1 109 109 MET H H 75 8.057 8.057 7.577 0.480 17707
7852 1 19 . 1 1 110 110 ASP N N 76 120.043 120.043 120.562 -0.519 17707
7853 1 19 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.424 -0.038 17707
7854 1 19 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.346 -1.401 17707
7855 1 19 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.133 -2.529 17707
7856 1 19 . 1 1 110 110 ASP H H 76 7.825 7.825 7.625 0.200 17707
7857 1 19 . 1 1 111 111 GLY N N 77 117.743 117.743 111.937 5.806 17707
7858 1 19 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.725 -2.709 17707
7859 1 19 . 1 1 111 111 GLY H H 77 8.636 8.636 8.222 0.414 17707
7860 1 19 . 1 1 112 112 ALA N N 78 123.755 123.755 122.707 1.048 17707
7861 1 19 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.468 -0.149 17707
7862 1 19 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.417 -2.381 17707
7863 1 19 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.522 -1.074 17707
7864 1 19 . 1 1 112 112 ALA H H 78 7.909 7.909 7.781 0.128 17707
7865 1 19 . 1 1 113 113 VAL N N 79 118.703 118.703 119.737 -1.034 17707
7866 1 19 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.995 0.618 17707
7867 1 19 . 1 1 113 113 VAL CB C 79 29.572 29.572 33.027 -3.455 17707
7868 1 19 . 1 1 113 113 VAL H H 79 8.083 8.083 7.480 0.603 17707
7869 1 19 . 1 1 114 114 LEU N N 80 129.473 129.473 119.441 10.032 17707
7870 1 19 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.666 -0.123 17707
7871 1 19 . 1 1 114 114 LEU CA C 80 51.942 51.942 56.002 -4.060 17707
7872 1 19 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.928 -0.344 17707
7873 1 19 . 1 1 114 114 LEU H H 80 8.895 8.895 8.568 0.327 17707
7874 1 19 . 1 1 115 115 ASP N N 81 129.660 129.660 120.198 9.462 17707
7875 1 19 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.706 -0.477 17707
7876 1 19 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.754 -1.502 17707
7877 1 19 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.593 -4.321 17707
7878 1 19 . 1 1 115 115 ASP H H 81 9.428 9.428 7.913 1.515 17707
7879 1 19 . 1 1 116 116 GLY N N 82 100.557 100.557 108.292 -7.735 17707
7880 1 19 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.102 -2.221 17707
7881 1 19 . 1 1 116 116 GLY H H 82 7.978 7.978 7.968 0.010 17707
7882 1 19 . 1 1 117 117 ARG N N 83 120.104 120.104 119.427 0.677 17707
7883 1 19 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.616 -0.066 17707
7884 1 19 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.896 -4.790 17707
7885 1 19 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.777 -1.132 17707
7886 1 19 . 1 1 117 117 ARG H H 83 7.493 7.493 7.706 -0.213 17707
7887 1 19 . 1 1 118 118 GLU N N 84 121.206 121.206 121.627 -0.421 17707
7888 1 19 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.657 -0.354 17707
7889 1 19 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.633 -3.204 17707
7890 1 19 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.218 -5.092 17707
7891 1 19 . 1 1 118 118 GLU H H 84 8.352 8.352 8.659 -0.307 17707
7892 1 19 . 1 1 119 119 LEU N N 85 127.970 127.970 118.546 9.424 17707
7893 1 19 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.872 -0.310 17707
7894 1 19 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.234 -0.711 17707
7895 1 19 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.184 -4.373 17707
7896 1 19 . 1 1 119 119 LEU H H 85 9.349 9.349 7.807 1.542 17707
7897 1 19 . 1 1 120 120 ARG N N 86 121.001 121.001 121.051 -0.050 17707
7898 1 19 . 1 1 120 120 ARG HA H 86 5.174 5.174 4.969 0.205 17707
7899 1 19 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.975 -3.381 17707
7900 1 19 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.775 -3.083 17707
7901 1 19 . 1 1 120 120 ARG H H 86 7.512 7.512 8.339 -0.827 17707
7902 1 19 . 1 1 121 121 VAL N N 87 125.999 125.999 124.269 1.730 17707
7903 1 19 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.832 0.106 17707
7904 1 19 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.579 -1.813 17707
7905 1 19 . 1 1 121 121 VAL H H 87 9.437 9.437 8.084 1.353 17707
7906 1 19 . 1 1 122 122 GLN N N 88 121.684 121.684 124.565 -2.881 17707
7907 1 19 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.732 0.237 17707
7908 1 19 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.228 -2.329 17707
7909 1 19 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.169 -2.013 17707
7910 1 19 . 1 1 122 122 GLN H H 88 8.301 8.301 8.003 0.298 17707
7911 1 19 . 1 1 123 123 MET N N 89 121.937 121.937 120.122 1.815 17707
7912 1 19 . 1 1 123 123 MET HA H 89 4.529 4.529 4.220 0.309 17707
7913 1 19 . 1 1 123 123 MET CA C 89 53.328 53.328 55.344 -2.016 17707
7914 1 19 . 1 1 123 123 MET CB C 89 28.750 28.750 32.236 -3.486 17707
7915 1 19 . 1 1 123 123 MET H H 89 8.714 8.714 8.867 -0.153 17707
7916 1 19 . 1 1 124 124 ALA N N 90 126.984 126.984 127.678 -0.694 17707
7917 1 19 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.331 0.086 17707
7918 1 19 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.480 -2.677 17707
7919 1 19 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.910 -4.658 17707
7920 1 19 . 1 1 124 124 ALA H H 90 8.437 8.437 8.289 0.148 17707
7921 1 19 . 1 1 125 125 ARG H H 91 9.886 9.886 8.813 1.073 17707
7922 1 19 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.286 -2.550 17707
7923 1 19 . 1 1 128 128 ARG N N 94 120.921 120.921 119.713 1.208 17707
7924 1 19 . 1 1 128 128 ARG H H 94 8.245 8.245 8.217 0.028 17707
7925 1 19 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.696 -0.103 17707
7926 1 19 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.065 -3.076 17707
7927 1 19 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.388 -0.071 17707
7928 1 19 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.761 -3.365 17707
7929 1 19 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.623 -3.362 17707
7930 1 19 . 1 1 131 131 ASP N N 97 119.855 119.855 117.682 2.173 17707
7931 1 19 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.807 -0.315 17707
7932 1 19 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.310 -1.895 17707
7933 1 19 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.933 -4.380 17707
7934 1 19 . 1 1 131 131 ASP H H 97 8.196 8.196 7.741 0.455 17707
7935 1 19 . 1 1 132 132 SER N N 98 116.150 116.150 116.603 -0.453 17707
7936 1 19 . 1 1 132 132 SER HA H 98 4.286 4.286 4.303 -0.017 17707
7937 1 19 . 1 1 132 132 SER CA C 98 55.729 55.729 60.310 -4.581 17707
7938 1 19 . 1 1 132 132 SER CB C 98 61.088 61.088 63.689 -2.601 17707
7939 1 19 . 1 1 132 132 SER H H 98 8.070 8.070 8.709 -0.639 17707
7940 1 19 . 1 1 133 133 HIS N N 99 119.771 119.771 116.022 3.749 17707
7941 1 19 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.499 -3.432 17707
7942 1 19 . 1 1 133 133 HIS H H 99 8.322 8.322 8.281 0.041 17707
7943 1 20 . 1 1 36 36 SER N N 2 116.365 116.365 118.636 -2.271 17707
7944 1 20 . 1 1 36 36 SER HA H 2 4.398 4.398 5.122 -0.724 17707
7945 1 20 . 1 1 36 36 SER CA C 2 55.706 55.706 57.634 -1.928 17707
7946 1 20 . 1 1 36 36 SER CB C 2 61.260 61.260 65.491 -4.231 17707
7947 1 20 . 1 1 36 36 SER H H 2 8.112 8.112 8.227 -0.115 17707
7948 1 20 . 1 1 37 37 TYR N N 3 121.885 121.885 119.401 2.484 17707
7949 1 20 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.712 -0.078 17707
7950 1 20 . 1 1 37 37 TYR CB C 3 36.183 36.183 39.918 -3.735 17707
7951 1 20 . 1 1 37 37 TYR H H 3 8.155 8.155 9.152 -0.997 17707
7952 1 20 . 1 1 38 38 GLY N N 4 109.771 109.771 109.586 0.185 17707
7953 1 20 . 1 1 38 38 GLY H H 4 8.332 8.332 8.138 0.194 17707
7954 1 20 . 1 1 39 39 ARG N N 5 121.087 121.087 117.596 3.491 17707
7955 1 20 . 1 1 39 39 ARG HA H 5 4.541 4.541 3.973 0.568 17707
7956 1 20 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.993 -4.798 17707
7957 1 20 . 1 1 39 39 ARG H H 5 8.224 8.224 8.352 -0.128 17707
7958 1 20 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.644 -0.405 17707
7959 1 20 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.648 -3.254 17707
7960 1 20 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.727 -0.343 17707
7961 1 20 . 1 1 41 41 PRO CA C 7 58.572 58.572 62.249 -3.677 17707
7962 1 20 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.713 -0.440 17707
7963 1 20 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.329 -2.198 17707
7964 1 20 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.622 -4.525 17707
7965 1 20 . 1 1 43 43 ASP N N 9 119.118 119.118 117.289 1.829 17707
7966 1 20 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.891 -0.379 17707
7967 1 20 . 1 1 43 43 ASP CA C 9 51.541 51.541 54.099 -2.558 17707
7968 1 20 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.771 -4.272 17707
7969 1 20 . 1 1 43 43 ASP H H 9 8.425 8.425 8.514 -0.089 17707
7970 1 20 . 1 1 44 44 VAL N N 10 118.278 118.278 117.534 0.744 17707
7971 1 20 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.854 0.352 17707
7972 1 20 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.814 -5.651 17707
7973 1 20 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.965 -2.967 17707
7974 1 20 . 1 1 44 44 VAL H H 10 7.882 7.882 7.913 -0.031 17707
7975 1 20 . 1 1 45 45 GLU N N 11 123.222 123.222 120.438 2.784 17707
7976 1 20 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.246 -0.198 17707
7977 1 20 . 1 1 45 45 GLU CA C 11 55.847 55.847 57.063 -1.216 17707
7978 1 20 . 1 1 45 45 GLU CB C 11 26.447 26.447 28.865 -2.418 17707
7979 1 20 . 1 1 45 45 GLU H H 11 8.328 8.328 8.704 -0.376 17707
7980 1 20 . 1 1 46 46 GLY N N 12 108.993 108.993 108.356 0.637 17707
7981 1 20 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.260 -2.561 17707
7982 1 20 . 1 1 46 46 GLY H H 12 8.361 8.361 8.032 0.329 17707
7983 1 20 . 1 1 47 47 MET N N 13 118.074 118.074 117.845 0.229 17707
7984 1 20 . 1 1 47 47 MET HA H 13 4.584 4.584 4.838 -0.254 17707
7985 1 20 . 1 1 47 47 MET CB C 13 31.447 31.447 34.963 -3.516 17707
7986 1 20 . 1 1 47 47 MET H H 13 7.493 7.493 7.592 -0.099 17707
7987 1 20 . 1 1 48 48 THR N N 14 118.968 118.968 118.497 0.471 17707
7988 1 20 . 1 1 48 48 THR HA H 14 4.534 4.534 4.488 0.046 17707
7989 1 20 . 1 1 48 48 THR CA C 14 60.656 60.656 62.651 -1.995 17707
7990 1 20 . 1 1 48 48 THR CB C 14 67.544 67.544 68.095 -0.551 17707
7991 1 20 . 1 1 48 48 THR H H 14 8.993 8.993 8.694 0.299 17707
7992 1 20 . 1 1 49 49 SER N N 15 123.365 123.365 124.862 -1.497 17707
7993 1 20 . 1 1 49 49 SER HA H 15 5.017 5.017 4.687 0.330 17707
7994 1 20 . 1 1 49 49 SER CB C 15 61.787 61.787 62.855 -1.068 17707
7995 1 20 . 1 1 49 49 SER H H 15 9.097 9.097 8.330 0.767 17707
7996 1 20 . 1 1 50 50 LEU N N 16 124.488 124.488 126.806 -2.318 17707
7997 1 20 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.169 0.839 17707
7998 1 20 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.357 -4.998 17707
7999 1 20 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.468 -2.366 17707
8000 1 20 . 1 1 50 50 LEU H H 16 9.495 9.495 7.984 1.511 17707
8001 1 20 . 1 1 51 51 LYS N N 17 123.276 123.276 121.206 2.070 17707
8002 1 20 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.121 -0.240 17707
8003 1 20 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.375 -1.950 17707
8004 1 20 . 1 1 51 51 LYS CB C 17 32.331 32.331 36.276 -3.945 17707
8005 1 20 . 1 1 51 51 LYS H H 17 9.239 9.239 8.642 0.597 17707
8006 1 20 . 1 1 52 52 VAL N N 18 130.086 130.086 123.983 6.103 17707
8007 1 20 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.833 -0.059 17707
8008 1 20 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.599 -2.373 17707
8009 1 20 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.463 -4.541 17707
8010 1 20 . 1 1 52 52 VAL H H 18 9.136 9.136 7.592 1.544 17707
8011 1 20 . 1 1 53 53 ASP N N 19 125.621 125.621 122.952 2.669 17707
8012 1 20 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.005 0.173 17707
8013 1 20 . 1 1 53 53 ASP CA C 19 50.614 50.614 52.736 -2.122 17707
8014 1 20 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.207 -2.660 17707
8015 1 20 . 1 1 53 53 ASP H H 19 9.312 9.312 8.874 0.438 17707
8016 1 20 . 1 1 54 54 ASN N N 20 112.496 112.496 114.898 -2.402 17707
8017 1 20 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.434 0.043 17707
8018 1 20 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.851 -2.835 17707
8019 1 20 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.641 -3.022 17707
8020 1 20 . 1 1 54 54 ASN H H 20 8.438 8.438 8.682 -0.244 17707
8021 1 20 . 1 1 55 55 LEU N N 21 114.844 114.844 118.568 -3.724 17707
8022 1 20 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.146 0.217 17707
8023 1 20 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.800 -4.793 17707
8024 1 20 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.229 -0.213 17707
8025 1 20 . 1 1 55 55 LEU H H 21 7.477 7.477 7.754 -0.277 17707
8026 1 20 . 1 1 56 56 THR N N 22 111.571 111.571 117.852 -6.281 17707
8027 1 20 . 1 1 56 56 THR HA H 22 4.361 4.361 4.381 -0.020 17707
8028 1 20 . 1 1 56 56 THR CA C 22 58.212 58.212 62.619 -4.407 17707
8029 1 20 . 1 1 56 56 THR CB C 22 68.233 68.233 69.775 -1.542 17707
8030 1 20 . 1 1 56 56 THR H H 22 8.341 8.341 8.093 0.248 17707
8031 1 20 . 1 1 57 57 TYR N N 23 122.008 122.008 119.841 2.167 17707
8032 1 20 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.406 -0.096 17707
8033 1 20 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.426 -2.850 17707
8034 1 20 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.233 -3.049 17707
8035 1 20 . 1 1 57 57 TYR H H 23 8.587 8.587 8.943 -0.356 17707
8036 1 20 . 1 1 58 58 ARG N N 24 114.767 114.767 116.680 -1.913 17707
8037 1 20 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.475 -0.212 17707
8038 1 20 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.597 -2.501 17707
8039 1 20 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.665 -3.261 17707
8040 1 20 . 1 1 58 58 ARG H H 24 7.262 7.262 7.753 -0.491 17707
8041 1 20 . 1 1 59 59 THR N N 25 119.267 119.267 116.877 2.390 17707
8042 1 20 . 1 1 59 59 THR HA H 25 4.015 4.015 4.571 -0.556 17707
8043 1 20 . 1 1 59 59 THR CA C 25 62.247 62.247 61.280 0.967 17707
8044 1 20 . 1 1 59 59 THR CB C 25 65.785 65.785 70.489 -4.704 17707
8045 1 20 . 1 1 59 59 THR H H 25 7.348 7.348 7.706 -0.358 17707
8046 1 20 . 1 1 60 60 SER N N 26 124.341 124.341 115.753 8.588 17707
8047 1 20 . 1 1 60 60 SER HA H 26 4.861 4.861 4.865 -0.004 17707
8048 1 20 . 1 1 60 60 SER CA C 26 52.864 52.864 56.784 -3.920 17707
8049 1 20 . 1 1 60 60 SER CB C 26 61.783 61.783 65.254 -3.471 17707
8050 1 20 . 1 1 60 60 SER H H 26 8.319 8.319 8.343 -0.024 17707
8051 1 20 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.407 -0.397 17707
8052 1 20 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.280 -2.197 17707
8053 1 20 . 1 1 62 62 ASP N N 28 115.615 115.615 116.725 -1.110 17707
8054 1 20 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.435 -0.059 17707
8055 1 20 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.804 -3.123 17707
8056 1 20 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.590 -2.338 17707
8057 1 20 . 1 1 62 62 ASP H H 28 8.020 8.020 8.629 -0.609 17707
8058 1 20 . 1 1 63 63 THR N N 29 118.079 118.079 117.005 1.074 17707
8059 1 20 . 1 1 63 63 THR HA H 29 3.902 3.902 4.187 -0.285 17707
8060 1 20 . 1 1 63 63 THR CA C 29 63.729 63.729 66.491 -2.762 17707
8061 1 20 . 1 1 63 63 THR CB C 29 65.634 65.634 68.806 -3.172 17707
8062 1 20 . 1 1 63 63 THR H H 29 7.766 7.766 7.391 0.375 17707
8063 1 20 . 1 1 64 64 LEU N N 30 118.985 118.985 121.227 -2.242 17707
8064 1 20 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.204 -0.151 17707
8065 1 20 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.893 -2.915 17707
8066 1 20 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.894 -1.063 17707
8067 1 20 . 1 1 64 64 LEU H H 30 7.495 7.495 8.426 -0.931 17707
8068 1 20 . 1 1 65 65 ARG N N 31 119.245 119.245 119.836 -0.591 17707
8069 1 20 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.171 -0.527 17707
8070 1 20 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.756 -0.400 17707
8071 1 20 . 1 1 65 65 ARG H H 31 8.583 8.583 7.765 0.818 17707
8072 1 20 . 1 1 66 66 ARG N N 32 115.695 115.695 119.520 -3.825 17707
8073 1 20 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.200 -0.128 17707
8074 1 20 . 1 1 66 66 ARG CA C 32 56.674 56.674 59.076 -2.402 17707
8075 1 20 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.533 -1.975 17707
8076 1 20 . 1 1 66 66 ARG H H 32 7.707 7.707 7.751 -0.044 17707
8077 1 20 . 1 1 67 67 VAL N N 33 115.500 115.500 119.161 -3.661 17707
8078 1 20 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.825 0.067 17707
8079 1 20 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.641 -2.985 17707
8080 1 20 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.222 -2.666 17707
8081 1 20 . 1 1 67 67 VAL H H 33 7.739 7.739 8.404 -0.665 17707
8082 1 20 . 1 1 68 68 PHE N N 34 116.290 116.290 116.257 0.033 17707
8083 1 20 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.948 -0.450 17707
8084 1 20 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.387 0.641 17707
8085 1 20 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.583 -4.391 17707
8086 1 20 . 1 1 68 68 PHE H H 34 8.253 8.253 7.600 0.653 17707
8087 1 20 . 1 1 69 69 GLU N N 35 119.333 119.333 122.138 -2.805 17707
8088 1 20 . 1 1 69 69 GLU HA H 35 5.035 5.035 3.976 1.059 17707
8089 1 20 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.574 -4.591 17707
8090 1 20 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.327 -3.153 17707
8091 1 20 . 1 1 69 69 GLU H H 35 8.583 8.583 8.694 -0.111 17707
8092 1 20 . 1 1 70 70 LYS N N 36 118.341 118.341 117.890 0.451 17707
8093 1 20 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.122 -0.230 17707
8094 1 20 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.291 -2.832 17707
8095 1 20 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.738 -2.514 17707
8096 1 20 . 1 1 70 70 LYS H H 36 6.871 6.871 7.931 -1.060 17707
8097 1 20 . 1 1 71 71 TYR N N 37 115.014 115.014 119.054 -4.040 17707
8098 1 20 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.389 -0.082 17707
8099 1 20 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.089 -3.854 17707
8100 1 20 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.180 -2.545 17707
8101 1 20 . 1 1 71 71 TYR H H 37 7.611 7.611 7.623 -0.012 17707
8102 1 20 . 1 1 72 72 GLY N N 38 104.741 104.741 105.826 -1.085 17707
8103 1 20 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.374 -3.745 17707
8104 1 20 . 1 1 72 72 GLY H H 38 7.356 7.356 7.893 -0.537 17707
8105 1 20 . 1 1 73 73 ARG N N 39 115.783 115.783 118.949 -3.166 17707
8106 1 20 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.502 -0.134 17707
8107 1 20 . 1 1 73 73 ARG CA C 39 54.703 54.703 54.766 -0.063 17707
8108 1 20 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.850 -4.998 17707
8109 1 20 . 1 1 73 73 ARG H H 39 7.990 7.990 7.982 0.008 17707
8110 1 20 . 1 1 74 74 VAL N N 40 130.246 130.246 119.286 10.960 17707
8111 1 20 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.900 -0.201 17707
8112 1 20 . 1 1 74 74 VAL CA C 40 59.483 59.483 60.760 -1.277 17707
8113 1 20 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.599 -4.300 17707
8114 1 20 . 1 1 74 74 VAL H H 40 8.846 8.846 8.436 0.410 17707
8115 1 20 . 1 1 75 75 GLY N N 41 114.952 114.952 113.707 1.245 17707
8116 1 20 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.226 -2.321 17707
8117 1 20 . 1 1 75 75 GLY H H 41 8.943 8.943 8.330 0.613 17707
8118 1 20 . 1 1 76 76 ASP N N 42 115.344 115.344 117.883 -2.539 17707
8119 1 20 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.734 -0.022 17707
8120 1 20 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.480 -0.966 17707
8121 1 20 . 1 1 76 76 ASP H H 42 7.224 7.224 7.448 -0.224 17707
8122 1 20 . 1 1 77 77 VAL N N 43 122.703 122.703 121.026 1.677 17707
8123 1 20 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.198 0.525 17707
8124 1 20 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.390 -2.043 17707
8125 1 20 . 1 1 77 77 VAL CB C 43 32.582 32.582 34.450 -1.868 17707
8126 1 20 . 1 1 77 77 VAL H H 43 7.551 7.551 8.184 -0.633 17707
8127 1 20 . 1 1 78 78 TYR N N 44 125.956 125.956 128.947 -2.991 17707
8128 1 20 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.591 0.380 17707
8129 1 20 . 1 1 78 78 TYR CA C 44 53.306 53.306 57.465 -4.159 17707
8130 1 20 . 1 1 78 78 TYR H H 44 9.023 9.023 8.231 0.792 17707
8131 1 20 . 1 1 79 79 ILE N N 45 129.856 129.856 123.632 6.224 17707
8132 1 20 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.157 0.099 17707
8133 1 20 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.719 -2.321 17707
8134 1 20 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.219 -2.905 17707
8135 1 20 . 1 1 79 79 ILE H H 45 8.231 8.231 8.173 0.058 17707
8136 1 20 . 1 1 80 80 PRO HA H 46 3.904 3.904 3.825 0.079 17707
8137 1 20 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.510 -2.869 17707
8138 1 20 . 1 1 81 81 ARG H H 47 8.593 8.593 8.407 0.186 17707
8139 1 20 . 1 1 82 82 ASP N N 48 125.712 125.712 121.436 4.276 17707
8140 1 20 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.397 -0.015 17707
8141 1 20 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.679 -2.220 17707
8142 1 20 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.346 0.962 17707
8143 1 20 . 1 1 82 82 ASP H H 48 8.948 8.948 8.589 0.359 17707
8144 1 20 . 1 1 83 83 ARG N N 49 125.207 125.207 116.187 9.020 17707
8145 1 20 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.087 -0.391 17707
8146 1 20 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.873 -2.260 17707
8147 1 20 . 1 1 83 83 ARG H H 49 8.688 8.688 8.272 0.416 17707
8148 1 20 . 1 1 84 84 TYR N N 50 117.911 117.911 111.465 6.446 17707
8149 1 20 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.790 -0.196 17707
8150 1 20 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.659 -0.893 17707
8151 1 20 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.968 -2.781 17707
8152 1 20 . 1 1 84 84 TYR H H 50 8.449 8.449 7.426 1.023 17707
8153 1 20 . 1 1 85 85 THR N N 51 110.450 110.450 110.303 0.147 17707
8154 1 20 . 1 1 85 85 THR HA H 51 4.230 4.230 4.342 -0.112 17707
8155 1 20 . 1 1 85 85 THR CA C 51 59.620 59.620 61.349 -1.730 17707
8156 1 20 . 1 1 85 85 THR CB C 51 67.745 67.745 69.656 -1.911 17707
8157 1 20 . 1 1 85 85 THR H H 51 9.141 9.141 7.498 1.643 17707
8158 1 20 . 1 1 86 86 LYS N N 52 113.570 113.570 117.577 -4.007 17707
8159 1 20 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.904 0.051 17707
8160 1 20 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.833 -3.405 17707
8161 1 20 . 1 1 86 86 LYS H H 52 7.821 7.821 8.332 -0.511 17707
8162 1 20 . 1 1 87 87 GLU N N 53 118.364 118.364 117.301 1.063 17707
8163 1 20 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.076 0.304 17707
8164 1 20 . 1 1 87 87 GLU CA C 53 52.641 52.641 57.377 -4.736 17707
8165 1 20 . 1 1 87 87 GLU CB C 53 28.841 28.841 29.037 -0.196 17707
8166 1 20 . 1 1 87 87 GLU H H 53 7.714 7.714 7.634 0.080 17707
8167 1 20 . 1 1 88 88 SER N N 54 115.692 115.692 113.203 2.489 17707
8168 1 20 . 1 1 88 88 SER CB C 54 61.369 61.369 63.235 -1.866 17707
8169 1 20 . 1 1 88 88 SER H H 54 8.705 8.705 7.898 0.807 17707
8170 1 20 . 1 1 89 89 ARG N N 55 122.170 122.170 121.975 0.195 17707
8171 1 20 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.103 0.214 17707
8172 1 20 . 1 1 89 89 ARG CA C 55 53.794 53.794 57.379 -3.585 17707
8173 1 20 . 1 1 89 89 ARG H H 55 7.934 7.934 7.299 0.635 17707
8174 1 20 . 1 1 90 90 GLY N N 56 106.948 106.948 110.461 -3.513 17707
8175 1 20 . 1 1 90 90 GLY CA C 56 43.275 43.275 44.675 -1.400 17707
8176 1 20 . 1 1 90 90 GLY H H 56 8.557 8.557 8.924 -0.367 17707
8177 1 20 . 1 1 91 91 PHE N N 57 113.487 113.487 114.547 -1.060 17707
8178 1 20 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.982 0.610 17707
8179 1 20 . 1 1 91 91 PHE CA C 57 51.911 51.911 54.230 -2.319 17707
8180 1 20 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.250 -0.472 17707
8181 1 20 . 1 1 91 91 PHE H H 57 6.936 6.936 7.612 -0.676 17707
8182 1 20 . 1 1 92 92 ALA N N 58 117.841 117.841 121.780 -3.939 17707
8183 1 20 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.350 0.398 17707
8184 1 20 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.349 -4.814 17707
8185 1 20 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.575 3.023 17707
8186 1 20 . 1 1 92 92 ALA H H 58 8.848 8.848 8.062 0.786 17707
8187 1 20 . 1 1 93 93 PHE N N 59 115.981 115.981 125.983 -10.002 17707
8188 1 20 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.601 1.072 17707
8189 1 20 . 1 1 93 93 PHE CA C 59 53.862 53.862 57.920 -4.058 17707
8190 1 20 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.307 -1.409 17707
8191 1 20 . 1 1 93 93 PHE H H 59 8.824 8.824 7.476 1.348 17707
8192 1 20 . 1 1 94 94 VAL N N 60 123.120 123.120 123.162 -0.042 17707
8193 1 20 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.397 -0.093 17707
8194 1 20 . 1 1 94 94 VAL CA C 60 58.931 58.931 59.026 -0.095 17707
8195 1 20 . 1 1 94 94 VAL CB C 60 31.429 31.429 34.950 -3.521 17707
8196 1 20 . 1 1 94 94 VAL H H 60 8.581 8.581 7.481 1.100 17707
8197 1 20 . 1 1 95 95 ARG N N 61 123.954 123.954 119.451 4.503 17707
8198 1 20 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.302 0.250 17707
8199 1 20 . 1 1 95 95 ARG CA C 61 50.515 50.515 53.837 -3.321 17707
8200 1 20 . 1 1 95 95 ARG H H 61 8.727 8.727 8.646 0.081 17707
8201 1 20 . 1 1 96 96 PHE N N 62 121.921 121.921 119.982 1.939 17707
8202 1 20 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.701 0.202 17707
8203 1 20 . 1 1 96 96 PHE CA C 62 54.566 54.566 55.629 -1.063 17707
8204 1 20 . 1 1 96 96 PHE CB C 62 39.886 39.886 43.107 -3.221 17707
8205 1 20 . 1 1 96 96 PHE H H 62 9.127 9.127 8.203 0.924 17707
8206 1 20 . 1 1 97 97 HIS N N 63 120.064 120.064 114.058 6.006 17707
8207 1 20 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.998 -0.660 17707
8208 1 20 . 1 1 97 97 HIS CA C 63 57.261 57.261 55.963 1.298 17707
8209 1 20 . 1 1 97 97 HIS CB C 63 27.288 27.288 32.425 -5.138 17707
8210 1 20 . 1 1 97 97 HIS H H 63 7.982 7.982 8.967 -0.986 17707
8211 1 20 . 1 1 98 98 ASP N N 64 119.665 119.665 122.000 -2.335 17707
8212 1 20 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.746 0.313 17707
8213 1 20 . 1 1 98 98 ASP CA C 64 50.195 50.195 55.513 -5.318 17707
8214 1 20 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.105 -1.007 17707
8215 1 20 . 1 1 98 98 ASP H H 64 9.096 9.096 8.401 0.695 17707
8216 1 20 . 1 1 99 99 LYS N N 65 127.804 127.804 127.479 0.325 17707
8217 1 20 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.922 -0.077 17707
8218 1 20 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.617 -2.221 17707
8219 1 20 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.372 -2.126 17707
8220 1 20 . 1 1 99 99 LYS H H 65 8.784 8.784 8.900 -0.116 17707
8221 1 20 . 1 1 100 100 ARG N N 66 118.451 118.451 117.701 0.750 17707
8222 1 20 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.121 -0.051 17707
8223 1 20 . 1 1 100 100 ARG CA C 66 56.139 56.139 59.118 -2.979 17707
8224 1 20 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.652 -1.886 17707
8225 1 20 . 1 1 100 100 ARG H H 66 8.600 8.600 8.731 -0.131 17707
8226 1 20 . 1 1 101 101 ASP N N 67 119.627 119.627 119.360 0.267 17707
8227 1 20 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.732 -0.538 17707
8228 1 20 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.823 -2.590 17707
8229 1 20 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.509 -2.513 17707
8230 1 20 . 1 1 101 101 ASP H H 67 7.089 7.089 8.467 -1.378 17707
8231 1 20 . 1 1 102 102 ALA N N 68 119.421 119.421 123.948 -4.527 17707
8232 1 20 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.717 -0.753 17707
8233 1 20 . 1 1 102 102 ALA CA C 68 51.703 51.703 55.140 -3.437 17707
8234 1 20 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.765 -3.097 17707
8235 1 20 . 1 1 102 102 ALA H H 68 6.832 6.832 8.117 -1.285 17707
8236 1 20 . 1 1 103 103 GLU N N 69 117.506 117.506 116.447 1.059 17707
8237 1 20 . 1 1 103 103 GLU HA H 69 3.658 3.658 4.016 -0.358 17707
8238 1 20 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.430 -1.268 17707
8239 1 20 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.358 -2.933 17707
8240 1 20 . 1 1 103 103 GLU H H 69 8.011 8.011 8.553 -0.542 17707
8241 1 20 . 1 1 104 104 ASP N N 70 120.487 120.487 120.761 -0.274 17707
8242 1 20 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.484 -0.218 17707
8243 1 20 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.635 -2.147 17707
8244 1 20 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.152 -3.690 17707
8245 1 20 . 1 1 104 104 ASP H H 70 8.020 8.020 7.570 0.450 17707
8246 1 20 . 1 1 105 105 ALA N N 71 122.179 122.179 120.872 1.307 17707
8247 1 20 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.412 -0.637 17707
8248 1 20 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.689 -2.944 17707
8249 1 20 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.593 -1.385 17707
8250 1 20 . 1 1 105 105 ALA H H 71 8.118 8.118 7.516 0.602 17707
8251 1 20 . 1 1 106 106 MET N N 72 118.380 118.380 114.807 3.573 17707
8252 1 20 . 1 1 106 106 MET HA H 72 3.655 3.655 4.171 -0.516 17707
8253 1 20 . 1 1 106 106 MET CA C 72 57.188 57.188 58.559 -1.371 17707
8254 1 20 . 1 1 106 106 MET CB C 72 30.409 30.409 32.595 -2.186 17707
8255 1 20 . 1 1 106 106 MET H H 72 8.279 8.279 7.472 0.807 17707
8256 1 20 . 1 1 107 107 ASP N N 73 117.030 117.030 120.097 -3.067 17707
8257 1 20 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.532 -0.205 17707
8258 1 20 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.456 -1.397 17707
8259 1 20 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.827 -2.734 17707
8260 1 20 . 1 1 107 107 ASP H H 73 7.749 7.749 7.810 -0.061 17707
8261 1 20 . 1 1 108 108 ALA N N 74 117.995 117.995 119.133 -1.138 17707
8262 1 20 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.514 -0.390 17707
8263 1 20 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.796 -1.462 17707
8264 1 20 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.462 -2.803 17707
8265 1 20 . 1 1 108 108 ALA H H 74 7.347 7.347 7.182 0.165 17707
8266 1 20 . 1 1 109 109 MET N N 75 112.202 112.202 117.111 -4.909 17707
8267 1 20 . 1 1 109 109 MET HA H 75 4.742 4.742 4.543 0.199 17707
8268 1 20 . 1 1 109 109 MET CA C 75 50.546 50.546 55.861 -5.315 17707
8269 1 20 . 1 1 109 109 MET H H 75 8.057 8.057 7.775 0.282 17707
8270 1 20 . 1 1 110 110 ASP N N 76 120.043 120.043 120.528 -0.485 17707
8271 1 20 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.433 -0.047 17707
8272 1 20 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.479 -1.534 17707
8273 1 20 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.305 -2.701 17707
8274 1 20 . 1 1 110 110 ASP H H 76 7.825 7.825 7.631 0.194 17707
8275 1 20 . 1 1 111 111 GLY N N 77 117.743 117.743 112.516 5.227 17707
8276 1 20 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.573 -2.557 17707
8277 1 20 . 1 1 111 111 GLY H H 77 8.636 8.636 8.361 0.275 17707
8278 1 20 . 1 1 112 112 ALA N N 78 123.755 123.755 123.443 0.312 17707
8279 1 20 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.483 -0.164 17707
8280 1 20 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.651 -2.615 17707
8281 1 20 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.647 -1.199 17707
8282 1 20 . 1 1 112 112 ALA H H 78 7.909 7.909 7.536 0.373 17707
8283 1 20 . 1 1 113 113 VAL N N 79 118.703 118.703 118.114 0.589 17707
8284 1 20 . 1 1 113 113 VAL HA H 79 4.613 4.613 3.962 0.651 17707
8285 1 20 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.472 -2.900 17707
8286 1 20 . 1 1 113 113 VAL H H 79 8.083 8.083 7.246 0.837 17707
8287 1 20 . 1 1 114 114 LEU N N 80 129.473 129.473 118.937 10.536 17707
8288 1 20 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.626 -0.083 17707
8289 1 20 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.882 -3.939 17707
8290 1 20 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.892 -0.307 17707
8291 1 20 . 1 1 114 114 LEU H H 80 8.895 8.895 8.421 0.474 17707
8292 1 20 . 1 1 115 115 ASP N N 81 129.660 129.660 120.401 9.259 17707
8293 1 20 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.730 -0.501 17707
8294 1 20 . 1 1 115 115 ASP CA C 81 52.252 52.252 53.568 -1.316 17707
8295 1 20 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.349 -4.077 17707
8296 1 20 . 1 1 115 115 ASP H H 81 9.428 9.428 7.914 1.514 17707
8297 1 20 . 1 1 116 116 GLY N N 82 100.557 100.557 107.755 -7.198 17707
8298 1 20 . 1 1 116 116 GLY CA C 82 42.881 42.881 44.899 -2.018 17707
8299 1 20 . 1 1 116 116 GLY H H 82 7.978 7.978 8.006 -0.028 17707
8300 1 20 . 1 1 117 117 ARG N N 83 120.104 120.104 120.121 -0.017 17707
8301 1 20 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.511 0.039 17707
8302 1 20 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.792 -4.686 17707
8303 1 20 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.447 -0.802 17707
8304 1 20 . 1 1 117 117 ARG H H 83 7.493 7.493 7.555 -0.062 17707
8305 1 20 . 1 1 118 118 GLU N N 84 121.206 121.206 121.577 -0.371 17707
8306 1 20 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.598 -0.295 17707
8307 1 20 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.468 -3.039 17707
8308 1 20 . 1 1 118 118 GLU CB C 84 27.126 27.126 31.806 -4.680 17707
8309 1 20 . 1 1 118 118 GLU H H 84 8.352 8.352 8.642 -0.290 17707
8310 1 20 . 1 1 119 119 LEU N N 85 127.970 127.970 118.765 9.205 17707
8311 1 20 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.917 -0.355 17707
8312 1 20 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.196 -0.673 17707
8313 1 20 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.210 -4.399 17707
8314 1 20 . 1 1 119 119 LEU H H 85 9.349 9.349 7.770 1.579 17707
8315 1 20 . 1 1 120 120 ARG N N 86 121.001 121.001 121.787 -0.786 17707
8316 1 20 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.149 0.025 17707
8317 1 20 . 1 1 120 120 ARG CA C 86 51.595 51.595 55.042 -3.447 17707
8318 1 20 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.533 -2.841 17707
8319 1 20 . 1 1 120 120 ARG H H 86 7.512 7.512 8.274 -0.762 17707
8320 1 20 . 1 1 121 121 VAL N N 87 125.999 125.999 123.515 2.484 17707
8321 1 20 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.966 -0.028 17707
8322 1 20 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.837 -2.071 17707
8323 1 20 . 1 1 121 121 VAL H H 87 9.437 9.437 9.165 0.273 17707
8324 1 20 . 1 1 122 122 GLN N N 88 121.684 121.684 124.490 -2.806 17707
8325 1 20 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.538 0.431 17707
8326 1 20 . 1 1 122 122 GLN CA C 88 50.899 50.899 54.277 -3.378 17707
8327 1 20 . 1 1 122 122 GLN CB C 88 31.157 31.157 33.137 -1.980 17707
8328 1 20 . 1 1 122 122 GLN H H 88 8.301 8.301 8.659 -0.358 17707
8329 1 20 . 1 1 123 123 MET N N 89 121.937 121.937 119.846 2.091 17707
8330 1 20 . 1 1 123 123 MET HA H 89 4.529 4.529 4.367 0.162 17707
8331 1 20 . 1 1 123 123 MET CA C 89 53.328 53.328 55.193 -1.865 17707
8332 1 20 . 1 1 123 123 MET CB C 89 28.750 28.750 32.568 -3.818 17707
8333 1 20 . 1 1 123 123 MET H H 89 8.714 8.714 8.652 0.062 17707
8334 1 20 . 1 1 124 124 ALA N N 90 126.984 126.984 126.657 0.327 17707
8335 1 20 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.214 0.203 17707
8336 1 20 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.379 -2.576 17707
8337 1 20 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.838 -4.586 17707
8338 1 20 . 1 1 124 124 ALA H H 90 8.437 8.437 8.532 -0.095 17707
8339 1 20 . 1 1 125 125 ARG H H 91 9.886 9.886 8.460 1.426 17707
8340 1 20 . 1 1 127 127 GLY CA C 93 41.736 41.736 43.973 -2.237 17707
8341 1 20 . 1 1 128 128 ARG N N 94 120.921 120.921 120.005 0.916 17707
8342 1 20 . 1 1 128 128 ARG H H 94 8.245 8.245 8.282 -0.037 17707
8343 1 20 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.412 0.181 17707
8344 1 20 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.946 -3.957 17707
8345 1 20 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.482 -0.165 17707
8346 1 20 . 1 1 130 130 PRO CA C 96 60.395 60.395 64.588 -4.193 17707
8347 1 20 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.077 -2.816 17707
8348 1 20 . 1 1 131 131 ASP N N 97 119.855 119.855 117.102 2.753 17707
8349 1 20 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.961 -0.469 17707
8350 1 20 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.953 -2.538 17707
8351 1 20 . 1 1 131 131 ASP CB C 97 38.553 38.553 41.798 -3.245 17707
8352 1 20 . 1 1 131 131 ASP H H 97 8.196 8.196 7.801 0.395 17707
8353 1 20 . 1 1 132 132 SER N N 98 116.150 116.150 120.511 -4.361 17707
8354 1 20 . 1 1 132 132 SER HA H 98 4.286 4.286 4.772 -0.486 17707
8355 1 20 . 1 1 132 132 SER CA C 98 55.729 55.729 58.531 -2.802 17707
8356 1 20 . 1 1 132 132 SER CB C 98 61.088 61.088 65.313 -4.225 17707
8357 1 20 . 1 1 132 132 SER H H 98 8.070 8.070 8.904 -0.834 17707
8358 1 20 . 1 1 133 133 HIS N N 99 119.771 119.771 117.257 2.514 17707
8359 1 20 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.181 -3.114 17707
8360 1 20 . 1 1 133 133 HIS H H 99 8.322 8.322 8.163 0.159 17707
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 87 4.521 -0.807 4.474 17707
2 1 1 "Average Difference" HA 100 0.369 0.035 0.369 17707
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17707
4 1 1 "Average Difference" CA 87 2.961 2.627 1.374 17707
5 1 1 "Average Difference" CB 71 3.077 2.683 1.516 17707
6 1 1 "Average Difference" HN 89 0.654 -0.139 0.643 17707
7 1 2 "Average Difference" N 87 4.178 -0.644 4.152 17707
8 1 2 "Average Difference" HA 100 0.355 0.040 0.354 17707
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17707
10 1 2 "Average Difference" CA 87 2.900 2.571 1.350 17707
11 1 2 "Average Difference" CB 71 2.934 2.551 1.459 17707
12 1 2 "Average Difference" HN 89 0.651 -0.148 0.638 17707
13 1 3 "Average Difference" N 87 4.416 -1.026 4.320 17707
14 1 3 "Average Difference" HA 100 0.375 0.025 0.376 17707
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17707
16 1 3 "Average Difference" CA 87 2.982 2.627 1.419 17707
17 1 3 "Average Difference" CB 71 3.085 2.722 1.463 17707
18 1 3 "Average Difference" HN 89 0.681 -0.194 0.656 17707
19 1 4 "Average Difference" N 87 4.504 -1.031 4.409 17707
20 1 4 "Average Difference" HA 100 0.360 0.010 0.362 17707
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17707
22 1 4 "Average Difference" CA 87 2.976 2.668 1.325 17707
23 1 4 "Average Difference" CB 71 3.028 2.607 1.551 17707
24 1 4 "Average Difference" HN 89 0.701 -0.193 0.678 17707
25 1 5 "Average Difference" N 87 4.549 -0.999 4.463 17707
26 1 5 "Average Difference" HA 100 0.386 0.049 0.385 17707
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17707
28 1 5 "Average Difference" CA 87 2.882 2.539 1.373 17707
29 1 5 "Average Difference" CB 71 2.990 2.618 1.455 17707
30 1 5 "Average Difference" HN 89 0.658 -0.176 0.638 17707
31 1 6 "Average Difference" N 87 4.070 -0.805 4.013 17707
32 1 6 "Average Difference" HA 100 0.369 0.018 0.370 17707
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17707
34 1 6 "Average Difference" CA 87 2.888 2.542 1.379 17707
35 1 6 "Average Difference" CB 71 3.010 2.645 1.445 17707
36 1 6 "Average Difference" HN 89 0.710 -0.179 0.691 17707
37 1 7 "Average Difference" N 87 4.188 -0.829 4.129 17707
38 1 7 "Average Difference" HA 100 0.358 0.031 0.359 17707
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17707
40 1 7 "Average Difference" CA 87 2.907 2.561 1.383 17707
41 1 7 "Average Difference" CB 71 2.941 2.544 1.485 17707
42 1 7 "Average Difference" HN 89 0.665 -0.152 0.651 17707
43 1 8 "Average Difference" N 87 4.199 -0.846 4.137 17707
44 1 8 "Average Difference" HA 100 0.355 0.024 0.356 17707
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17707
46 1 8 "Average Difference" CA 87 2.832 2.528 1.283 17707
47 1 8 "Average Difference" CB 71 2.975 2.615 1.427 17707
48 1 8 "Average Difference" HN 89 0.716 -0.213 0.688 17707
49 1 9 "Average Difference" N 87 4.045 -0.970 3.949 17707
50 1 9 "Average Difference" HA 100 0.373 0.048 0.372 17707
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17707
52 1 9 "Average Difference" CA 87 2.869 2.565 1.293 17707
53 1 9 "Average Difference" CB 71 3.086 2.727 1.454 17707
54 1 9 "Average Difference" HN 89 0.666 -0.154 0.652 17707
55 1 10 "Average Difference" N 87 4.248 -0.695 4.215 17707
56 1 10 "Average Difference" HA 100 0.354 0.037 0.354 17707
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17707
58 1 10 "Average Difference" CA 87 2.855 2.552 1.289 17707
59 1 10 "Average Difference" CB 71 2.949 2.619 1.365 17707
60 1 10 "Average Difference" HN 89 0.700 -0.219 0.669 17707
61 1 11 "Average Difference" N 87 4.339 -1.227 4.186 17707
62 1 11 "Average Difference" HA 100 0.357 0.026 0.358 17707
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17707
64 1 11 "Average Difference" CA 87 2.898 2.575 1.339 17707
65 1 11 "Average Difference" CB 71 3.119 2.704 1.566 17707
66 1 11 "Average Difference" HN 89 0.684 -0.163 0.668 17707
67 1 12 "Average Difference" N 87 4.290 -0.607 4.272 17707
68 1 12 "Average Difference" HA 100 0.339 0.059 0.336 17707
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17707
70 1 12 "Average Difference" CA 87 2.856 2.530 1.332 17707
71 1 12 "Average Difference" CB 71 3.052 2.701 1.431 17707
72 1 12 "Average Difference" HN 89 0.672 -0.145 0.660 17707
73 1 13 "Average Difference" N 87 4.353 -0.940 4.275 17707
74 1 13 "Average Difference" HA 100 0.363 0.035 0.363 17707
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17707
76 1 13 "Average Difference" CA 87 2.897 2.571 1.344 17707
77 1 13 "Average Difference" CB 71 3.078 2.670 1.543 17707
78 1 13 "Average Difference" HN 89 0.685 -0.184 0.664 17707
79 1 14 "Average Difference" N 87 4.567 -1.028 4.475 17707
80 1 14 "Average Difference" HA 100 0.360 0.058 0.357 17707
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17707
82 1 14 "Average Difference" CA 87 2.800 2.464 1.338 17707
83 1 14 "Average Difference" CB 71 3.067 2.719 1.429 17707
84 1 14 "Average Difference" HN 89 0.698 -0.185 0.677 17707
85 1 15 "Average Difference" N 87 4.509 -0.838 4.456 17707
86 1 15 "Average Difference" HA 100 0.341 0.052 0.338 17707
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17707
88 1 15 "Average Difference" CA 87 2.979 2.601 1.461 17707
89 1 15 "Average Difference" CB 71 3.108 2.692 1.565 17707
90 1 15 "Average Difference" HN 89 0.638 -0.187 0.613 17707
91 1 16 "Average Difference" N 87 4.432 -1.052 4.331 17707
92 1 16 "Average Difference" HA 100 0.350 0.027 0.351 17707
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17707
94 1 16 "Average Difference" CA 87 2.980 2.655 1.361 17707
95 1 16 "Average Difference" CB 71 2.992 2.594 1.501 17707
96 1 16 "Average Difference" HN 89 0.684 -0.178 0.665 17707
97 1 17 "Average Difference" N 87 4.101 -0.866 4.031 17707
98 1 17 "Average Difference" HA 100 0.363 0.026 0.364 17707
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17707
100 1 17 "Average Difference" CA 87 2.816 2.517 1.271 17707
101 1 17 "Average Difference" CB 71 3.070 2.644 1.570 17707
102 1 17 "Average Difference" HN 89 0.661 -0.130 0.652 17707
103 1 18 "Average Difference" N 87 4.350 -0.968 4.265 17707
104 1 18 "Average Difference" HA 100 0.363 0.054 0.361 17707
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17707
106 1 18 "Average Difference" CA 87 2.945 2.592 1.407 17707
107 1 18 "Average Difference" CB 71 3.097 2.734 1.464 17707
108 1 18 "Average Difference" HN 89 0.642 -0.173 0.621 17707
109 1 19 "Average Difference" N 87 4.449 -0.633 4.430 17707
110 1 19 "Average Difference" HA 100 0.335 0.046 0.334 17707
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17707
112 1 19 "Average Difference" CA 87 2.935 2.605 1.360 17707
113 1 19 "Average Difference" CB 71 3.012 2.597 1.537 17707
114 1 19 "Average Difference" HN 89 0.669 -0.143 0.657 17707
115 1 20 "Average Difference" N 87 3.916 -0.515 3.905 17707
116 1 20 "Average Difference" HA 100 0.369 0.031 0.370 17707
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17707
118 1 20 "Average Difference" CA 87 2.962 2.613 1.404 17707
119 1 20 "Average Difference" CB 71 3.034 2.655 1.478 17707
120 1 20 "Average Difference" HN 89 0.677 -0.142 0.666 17707
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 17707
_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 36 36 SER N N 2 116.365 116.365 117.049 -0.684 17707
2 1 . 1 1 36 36 SER HA H 2 4.398 4.398 4.597 -0.199 17707
3 1 . 1 1 36 36 SER CA C 2 55.706 55.706 57.901 -2.195 17707
4 1 . 1 1 36 36 SER CB C 2 61.260 61.260 64.493 -3.233 17707
5 1 . 1 1 36 36 SER H H 2 8.112 8.112 8.316 -0.204 17707
6 1 . 1 1 37 37 TYR N N 3 121.885 121.885 119.863 2.022 17707
7 1 . 1 1 37 37 TYR HA H 3 4.634 4.634 4.312 0.322 17707
8 1 . 1 1 37 37 TYR CB C 3 36.183 36.183 37.971 -1.788 17707
9 1 . 1 1 37 37 TYR H H 3 8.155 8.155 8.644 -0.489 17707
10 1 . 1 1 38 38 GLY N N 4 109.771 109.771 107.823 1.948 17707
11 1 . 1 1 38 38 GLY H H 4 8.332 8.332 8.149 0.183 17707
12 1 . 1 1 39 39 ARG N N 5 121.087 121.087 118.361 2.726 17707
13 1 . 1 1 39 39 ARG HA H 5 4.541 4.541 4.268 0.273 17707
14 1 . 1 1 39 39 ARG CA C 5 51.195 51.195 55.468 -4.273 17707
15 1 . 1 1 39 39 ARG H H 5 8.224 8.224 8.144 0.080 17707
16 1 . 1 1 40 40 PRO HA H 6 4.239 4.239 4.667 -0.428 17707
17 1 . 1 1 40 40 PRO CA C 6 58.394 58.394 61.855 -3.461 17707
18 1 . 1 1 41 41 PRO HA H 7 4.384 4.384 4.711 -0.327 17707
19 1 . 1 1 41 41 PRO CA C 7 58.572 58.572 61.973 -3.401 17707
20 1 . 1 1 42 42 PRO HA H 8 4.273 4.273 4.679 -0.406 17707
21 1 . 1 1 42 42 PRO CA C 8 60.131 60.131 62.518 -2.387 17707
22 1 . 1 1 42 42 PRO CB C 8 29.097 29.097 33.549 -4.452 17707
23 1 . 1 1 43 43 ASP N N 9 119.118 119.118 117.230 1.888 17707
24 1 . 1 1 43 43 ASP HA H 9 4.512 4.512 4.816 -0.304 17707
25 1 . 1 1 43 43 ASP CA C 9 51.541 51.541 53.952 -2.411 17707
26 1 . 1 1 43 43 ASP CB C 9 37.499 37.499 41.220 -3.721 17707
27 1 . 1 1 43 43 ASP H H 9 8.425 8.425 8.551 -0.126 17707
28 1 . 1 1 44 44 VAL N N 10 118.278 118.278 116.950 1.328 17707
29 1 . 1 1 44 44 VAL HA H 10 4.206 4.206 3.894 0.312 17707
30 1 . 1 1 44 44 VAL CA C 10 59.163 59.163 64.274 -5.111 17707
31 1 . 1 1 44 44 VAL CB C 10 28.998 28.998 31.665 -2.667 17707
32 1 . 1 1 44 44 VAL H H 10 7.882 7.882 7.987 -0.105 17707
33 1 . 1 1 45 45 GLU N N 11 123.222 123.222 119.591 3.631 17707
34 1 . 1 1 45 45 GLU HA H 11 4.048 4.048 4.248 -0.200 17707
35 1 . 1 1 45 45 GLU CA C 11 55.847 55.847 56.967 -1.120 17707
36 1 . 1 1 45 45 GLU CB C 11 26.447 26.447 29.114 -2.667 17707
37 1 . 1 1 45 45 GLU H H 11 8.328 8.328 8.460 -0.132 17707
38 1 . 1 1 46 46 GLY N N 12 108.993 108.993 107.837 1.156 17707
39 1 . 1 1 46 46 GLY CA C 12 42.699 42.699 45.190 -2.491 17707
40 1 . 1 1 46 46 GLY H H 12 8.361 8.361 8.000 0.361 17707
41 1 . 1 1 47 47 MET N N 13 118.074 118.074 118.014 0.060 17707
42 1 . 1 1 47 47 MET HA H 13 4.584 4.584 4.830 -0.246 17707
43 1 . 1 1 47 47 MET CB C 13 31.447 31.447 34.548 -3.101 17707
44 1 . 1 1 47 47 MET H H 13 7.493 7.493 7.545 -0.052 17707
45 1 . 1 1 48 48 THR N N 14 118.968 118.968 116.668 2.300 17707
46 1 . 1 1 48 48 THR HA H 14 4.534 4.534 4.252 0.282 17707
47 1 . 1 1 48 48 THR CA C 14 60.656 60.656 64.393 -3.737 17707
48 1 . 1 1 48 48 THR CB C 14 67.544 67.544 68.806 -1.262 17707
49 1 . 1 1 48 48 THR H H 14 8.993 8.993 8.560 0.433 17707
50 1 . 1 1 49 49 SER N N 15 123.365 123.365 117.355 6.010 17707
51 1 . 1 1 49 49 SER HA H 15 5.017 5.017 4.295 0.722 17707
52 1 . 1 1 49 49 SER CB C 15 61.787 61.787 62.176 -0.389 17707
53 1 . 1 1 49 49 SER H H 15 9.097 9.097 8.097 1.000 17707
54 1 . 1 1 50 50 LEU N N 16 124.488 124.488 122.928 1.560 17707
55 1 . 1 1 50 50 LEU HA H 16 5.008 5.008 4.208 0.800 17707
56 1 . 1 1 50 50 LEU CA C 16 50.359 50.359 55.459 -5.100 17707
57 1 . 1 1 50 50 LEU CB C 16 41.102 41.102 43.138 -2.036 17707
58 1 . 1 1 50 50 LEU H H 16 9.495 9.495 7.635 1.860 17707
59 1 . 1 1 51 51 LYS N N 17 123.276 123.276 122.012 1.264 17707
60 1 . 1 1 51 51 LYS HA H 17 4.881 4.881 5.148 -0.267 17707
61 1 . 1 1 51 51 LYS CA C 17 52.425 52.425 54.230 -1.805 17707
62 1 . 1 1 51 51 LYS CB C 17 32.331 32.331 35.845 -3.514 17707
63 1 . 1 1 51 51 LYS H H 17 9.239 9.239 8.549 0.690 17707
64 1 . 1 1 52 52 VAL N N 18 130.086 130.086 120.422 9.664 17707
65 1 . 1 1 52 52 VAL HA H 18 4.774 4.774 4.811 -0.037 17707
66 1 . 1 1 52 52 VAL CA C 18 58.226 58.226 60.396 -2.170 17707
67 1 . 1 1 52 52 VAL CB C 18 30.922 30.922 35.291 -4.369 17707
68 1 . 1 1 52 52 VAL H H 18 9.136 9.136 7.629 1.507 17707
69 1 . 1 1 53 53 ASP N N 19 125.621 125.621 123.135 2.486 17707
70 1 . 1 1 53 53 ASP HA H 19 5.178 5.178 5.053 0.125 17707
71 1 . 1 1 53 53 ASP CA C 19 50.614 50.614 53.131 -2.517 17707
72 1 . 1 1 53 53 ASP CB C 19 42.547 42.547 45.111 -2.564 17707
73 1 . 1 1 53 53 ASP H H 19 9.312 9.312 8.848 0.464 17707
74 1 . 1 1 54 54 ASN N N 20 112.496 112.496 115.336 -2.840 17707
75 1 . 1 1 54 54 ASN HA H 20 4.477 4.477 4.457 0.020 17707
76 1 . 1 1 54 54 ASN CA C 20 51.016 51.016 53.787 -2.771 17707
77 1 . 1 1 54 54 ASN CB C 20 34.619 34.619 37.727 -3.108 17707
78 1 . 1 1 54 54 ASN H H 20 8.438 8.438 8.700 -0.262 17707
79 1 . 1 1 55 55 LEU N N 21 114.844 114.844 119.005 -4.161 17707
80 1 . 1 1 55 55 LEU HA H 21 4.363 4.363 4.218 0.145 17707
81 1 . 1 1 55 55 LEU CA C 21 51.007 51.007 55.804 -4.797 17707
82 1 . 1 1 55 55 LEU CB C 21 41.016 41.016 41.484 -0.468 17707
83 1 . 1 1 55 55 LEU H H 21 7.477 7.477 7.858 -0.381 17707
84 1 . 1 1 56 56 THR N N 22 111.571 111.571 117.505 -5.934 17707
85 1 . 1 1 56 56 THR HA H 22 4.361 4.361 4.440 -0.079 17707
86 1 . 1 1 56 56 THR CA C 22 58.212 58.212 62.187 -3.975 17707
87 1 . 1 1 56 56 THR CB C 22 68.233 68.233 70.232 -1.999 17707
88 1 . 1 1 56 56 THR H H 22 8.341 8.341 8.080 0.261 17707
89 1 . 1 1 57 57 TYR N N 23 122.008 122.008 119.214 2.794 17707
90 1 . 1 1 57 57 TYR HA H 23 4.310 4.310 4.355 -0.045 17707
91 1 . 1 1 57 57 TYR CA C 23 56.576 56.576 59.493 -2.916 17707
92 1 . 1 1 57 57 TYR CB C 23 34.185 34.185 37.475 -3.290 17707
93 1 . 1 1 57 57 TYR H H 23 8.587 8.587 8.811 -0.224 17707
94 1 . 1 1 58 58 ARG N N 24 114.767 114.767 116.225 -1.458 17707
95 1 . 1 1 58 58 ARG HA H 24 4.263 4.263 4.595 -0.332 17707
96 1 . 1 1 58 58 ARG CA C 24 53.096 53.096 55.507 -2.411 17707
97 1 . 1 1 58 58 ARG CB C 24 27.404 27.404 30.381 -2.977 17707
98 1 . 1 1 58 58 ARG H H 24 7.262 7.262 7.755 -0.493 17707
99 1 . 1 1 59 59 THR N N 25 119.267 119.267 116.858 2.409 17707
100 1 . 1 1 59 59 THR HA H 25 4.015 4.015 4.656 -0.641 17707
101 1 . 1 1 59 59 THR CA C 25 62.247 62.247 61.131 1.116 17707
102 1 . 1 1 59 59 THR CB C 25 65.785 65.785 70.935 -5.150 17707
103 1 . 1 1 59 59 THR H H 25 7.348 7.348 7.696 -0.348 17707
104 1 . 1 1 60 60 SER N N 26 124.341 124.341 114.854 9.487 17707
105 1 . 1 1 60 60 SER HA H 26 4.861 4.861 4.959 -0.098 17707
106 1 . 1 1 60 60 SER CA C 26 52.864 52.864 55.253 -2.389 17707
107 1 . 1 1 60 60 SER CB C 26 61.783 61.783 64.838 -3.055 17707
108 1 . 1 1 60 60 SER H H 26 8.319 8.319 8.156 0.163 17707
109 1 . 1 1 61 61 PRO HA H 27 4.010 4.010 4.391 -0.381 17707
110 1 . 1 1 61 61 PRO CA C 27 63.083 63.083 65.160 -2.077 17707
111 1 . 1 1 62 62 ASP N N 28 115.615 115.615 117.527 -1.912 17707
112 1 . 1 1 62 62 ASP HA H 28 4.376 4.376 4.462 -0.085 17707
113 1 . 1 1 62 62 ASP CA C 28 54.681 54.681 57.611 -2.930 17707
114 1 . 1 1 62 62 ASP CB C 28 38.252 38.252 40.660 -2.408 17707
115 1 . 1 1 62 62 ASP H H 28 8.020 8.020 8.540 -0.520 17707
116 1 . 1 1 63 63 THR N N 29 118.079 118.079 117.247 0.832 17707
117 1 . 1 1 63 63 THR HA H 29 3.902 3.902 4.199 -0.297 17707
118 1 . 1 1 63 63 THR CA C 29 63.729 63.729 66.493 -2.764 17707
119 1 . 1 1 63 63 THR CB C 29 65.634 65.634 68.924 -3.290 17707
120 1 . 1 1 63 63 THR H H 29 7.766 7.766 7.457 0.309 17707
121 1 . 1 1 64 64 LEU N N 30 118.985 118.985 120.611 -1.626 17707
122 1 . 1 1 64 64 LEU HA H 30 4.053 4.053 4.241 -0.188 17707
123 1 . 1 1 64 64 LEU CA C 30 54.978 54.978 57.647 -2.669 17707
124 1 . 1 1 64 64 LEU CB C 30 39.831 39.831 40.925 -1.094 17707
125 1 . 1 1 64 64 LEU H H 30 7.495 7.495 8.373 -0.878 17707
126 1 . 1 1 65 65 ARG N N 31 119.245 119.245 120.225 -0.980 17707
127 1 . 1 1 65 65 ARG HA H 31 3.644 3.644 4.198 -0.554 17707
128 1 . 1 1 65 65 ARG CA C 31 58.356 58.356 58.567 -0.211 17707
129 1 . 1 1 65 65 ARG H H 31 8.583 8.583 7.762 0.821 17707
130 1 . 1 1 66 66 ARG N N 32 115.695 115.695 118.697 -3.002 17707
131 1 . 1 1 66 66 ARG HA H 32 4.072 4.072 4.213 -0.141 17707
132 1 . 1 1 66 66 ARG CA C 32 56.674 56.674 58.658 -1.984 17707
133 1 . 1 1 66 66 ARG CB C 32 27.558 27.558 29.438 -1.881 17707
134 1 . 1 1 66 66 ARG H H 32 7.707 7.707 7.737 -0.030 17707
135 1 . 1 1 67 67 VAL N N 33 115.500 115.500 118.488 -2.988 17707
136 1 . 1 1 67 67 VAL HA H 33 3.892 3.892 3.972 -0.081 17707
137 1 . 1 1 67 67 VAL CA C 33 62.656 62.656 65.334 -2.678 17707
138 1 . 1 1 67 67 VAL CB C 33 29.556 29.556 32.253 -2.697 17707
139 1 . 1 1 67 67 VAL H H 33 7.739 7.739 8.138 -0.399 17707
140 1 . 1 1 68 68 PHE N N 34 116.290 116.290 116.596 -0.305 17707
141 1 . 1 1 68 68 PHE HA H 34 4.498 4.498 4.959 -0.461 17707
142 1 . 1 1 68 68 PHE CA C 34 60.028 60.028 59.424 0.604 17707
143 1 . 1 1 68 68 PHE CB C 34 36.192 36.192 40.796 -4.604 17707
144 1 . 1 1 68 68 PHE H H 34 8.253 8.253 7.697 0.556 17707
145 1 . 1 1 69 69 GLU N N 35 119.333 119.333 121.539 -2.206 17707
146 1 . 1 1 69 69 GLU HA H 35 5.035 5.035 4.048 0.987 17707
147 1 . 1 1 69 69 GLU CA C 35 54.982 54.982 59.422 -4.440 17707
148 1 . 1 1 69 69 GLU CB C 35 26.174 26.174 29.532 -3.358 17707
149 1 . 1 1 69 69 GLU H H 35 8.583 8.583 8.640 -0.057 17707
150 1 . 1 1 70 70 LYS N N 36 118.341 118.341 117.839 0.502 17707
151 1 . 1 1 70 70 LYS HA H 36 3.892 3.892 4.127 -0.235 17707
152 1 . 1 1 70 70 LYS CA C 36 55.459 55.459 58.277 -2.818 17707
153 1 . 1 1 70 70 LYS CB C 36 29.224 29.224 31.620 -2.396 17707
154 1 . 1 1 70 70 LYS H H 36 6.871 6.871 8.191 -1.320 17707
155 1 . 1 1 71 71 TYR N N 37 115.014 115.014 118.619 -3.605 17707
156 1 . 1 1 71 71 TYR HA H 37 4.307 4.307 4.361 -0.054 17707
157 1 . 1 1 71 71 TYR CA C 37 56.234 56.234 60.020 -3.786 17707
158 1 . 1 1 71 71 TYR CB C 37 36.635 36.635 39.040 -2.405 17707
159 1 . 1 1 71 71 TYR H H 37 7.611 7.611 7.692 -0.081 17707
160 1 . 1 1 72 72 GLY N N 38 104.741 104.741 105.525 -0.784 17707
161 1 . 1 1 72 72 GLY CA C 38 41.629 41.629 45.324 -3.695 17707
162 1 . 1 1 72 72 GLY H H 38 7.356 7.356 7.950 -0.594 17707
163 1 . 1 1 73 73 ARG N N 39 115.783 115.783 119.160 -3.377 17707
164 1 . 1 1 73 73 ARG HA H 39 4.368 4.368 4.584 -0.216 17707
165 1 . 1 1 73 73 ARG CA C 39 54.703 54.703 55.122 -0.419 17707
166 1 . 1 1 73 73 ARG CB C 39 27.852 27.852 32.824 -4.972 17707
167 1 . 1 1 73 73 ARG H H 39 7.990 7.990 8.064 -0.074 17707
168 1 . 1 1 74 74 VAL N N 40 130.246 130.246 118.348 11.898 17707
169 1 . 1 1 74 74 VAL HA H 40 3.699 3.699 3.748 -0.049 17707
170 1 . 1 1 74 74 VAL CA C 40 59.483 59.483 61.084 -1.601 17707
171 1 . 1 1 74 74 VAL CB C 40 30.299 30.299 34.877 -4.578 17707
172 1 . 1 1 74 74 VAL H H 40 8.846 8.846 8.359 0.487 17707
173 1 . 1 1 75 75 GLY N N 41 114.952 114.952 112.858 2.094 17707
174 1 . 1 1 75 75 GLY CA C 41 42.905 42.905 45.131 -2.226 17707
175 1 . 1 1 75 75 GLY H H 41 8.943 8.943 8.600 0.343 17707
176 1 . 1 1 76 76 ASP N N 42 115.344 115.344 117.740 -2.396 17707
177 1 . 1 1 76 76 ASP HA H 42 4.712 4.712 4.775 -0.063 17707
178 1 . 1 1 76 76 ASP CA C 42 52.514 52.514 53.580 -1.066 17707
179 1 . 1 1 76 76 ASP H H 42 7.224 7.224 7.497 -0.273 17707
180 1 . 1 1 77 77 VAL N N 43 122.703 122.703 120.477 2.226 17707
181 1 . 1 1 77 77 VAL HA H 43 4.723 4.723 4.404 0.319 17707
182 1 . 1 1 77 77 VAL CA C 43 59.347 59.347 61.396 -2.049 17707
183 1 . 1 1 77 77 VAL CB C 43 32.582 32.582 33.716 -1.134 17707
184 1 . 1 1 77 77 VAL H H 43 7.551 7.551 8.195 -0.644 17707
185 1 . 1 1 78 78 TYR N N 44 125.956 125.956 126.760 -0.804 17707
186 1 . 1 1 78 78 TYR HA H 44 4.971 4.971 4.723 0.248 17707
187 1 . 1 1 78 78 TYR CA C 44 53.306 53.306 56.872 -3.567 17707
188 1 . 1 1 78 78 TYR H H 44 9.023 9.023 8.294 0.729 17707
189 1 . 1 1 79 79 ILE N N 45 129.856 129.856 121.671 8.185 17707
190 1 . 1 1 79 79 ILE HA H 45 4.256 4.256 4.237 0.019 17707
191 1 . 1 1 79 79 ILE CA C 45 55.398 55.398 57.562 -2.164 17707
192 1 . 1 1 79 79 ILE CB C 45 36.314 36.314 39.212 -2.898 17707
193 1 . 1 1 79 79 ILE H H 45 8.231 8.231 7.980 0.251 17707
194 1 . 1 1 80 80 PRO HA H 46 3.904 3.904 4.113 -0.209 17707
195 1 . 1 1 80 80 PRO CA C 46 59.641 59.641 62.861 -3.220 17707
196 1 . 1 1 81 81 ARG H H 47 8.593 8.593 8.078 0.515 17707
197 1 . 1 1 82 82 ASP N N 48 125.712 125.712 119.692 6.020 17707
198 1 . 1 1 82 82 ASP HA H 48 4.382 4.382 4.357 0.025 17707
199 1 . 1 1 82 82 ASP CA C 48 52.459 52.459 54.517 -2.058 17707
200 1 . 1 1 82 82 ASP CB C 48 41.308 41.308 40.845 0.463 17707
201 1 . 1 1 82 82 ASP H H 48 8.948 8.948 8.303 0.645 17707
202 1 . 1 1 83 83 ARG N N 49 125.207 125.207 119.866 5.341 17707
203 1 . 1 1 83 83 ARG HA H 49 3.696 3.696 4.015 -0.319 17707
204 1 . 1 1 83 83 ARG CA C 49 55.614 55.614 57.866 -2.252 17707
205 1 . 1 1 83 83 ARG H H 49 8.688 8.688 8.490 0.198 17707
206 1 . 1 1 84 84 TYR N N 50 117.911 117.911 111.641 6.270 17707
207 1 . 1 1 84 84 TYR HA H 50 4.594 4.594 4.880 -0.286 17707
208 1 . 1 1 84 84 TYR CA C 50 56.766 56.766 57.010 -0.244 17707
209 1 . 1 1 84 84 TYR CB C 50 36.187 36.187 38.933 -2.746 17707
210 1 . 1 1 84 84 TYR H H 50 8.449 8.449 7.168 1.281 17707
211 1 . 1 1 85 85 THR N N 51 110.450 110.450 111.557 -1.107 17707
212 1 . 1 1 85 85 THR HA H 51 4.230 4.230 4.394 -0.164 17707
213 1 . 1 1 85 85 THR CA C 51 59.620 59.620 61.682 -2.061 17707
214 1 . 1 1 85 85 THR CB C 51 67.745 67.745 70.720 -2.975 17707
215 1 . 1 1 85 85 THR H H 51 9.141 9.141 7.445 1.696 17707
216 1 . 1 1 86 86 LYS N N 52 113.570 113.570 118.865 -5.295 17707
217 1 . 1 1 86 86 LYS HA H 52 3.955 3.955 3.846 0.109 17707
218 1 . 1 1 86 86 LYS CA C 52 54.428 54.428 57.750 -3.322 17707
219 1 . 1 1 86 86 LYS H H 52 7.821 7.821 8.224 -0.403 17707
220 1 . 1 1 87 87 GLU N N 53 118.364 118.364 117.731 0.633 17707
221 1 . 1 1 87 87 GLU HA H 53 4.380 4.380 4.188 0.192 17707
222 1 . 1 1 87 87 GLU CA C 53 52.641 52.641 56.690 -4.049 17707
223 1 . 1 1 87 87 GLU CB C 53 28.841 28.841 30.002 -1.161 17707
224 1 . 1 1 87 87 GLU H H 53 7.714 7.714 7.677 0.037 17707
225 1 . 1 1 88 88 SER N N 54 115.692 115.692 114.637 1.055 17707
226 1 . 1 1 88 88 SER CB C 54 61.369 61.369 63.710 -2.341 17707
227 1 . 1 1 88 88 SER H H 54 8.705 8.705 8.071 0.634 17707
228 1 . 1 1 89 89 ARG N N 55 122.170 122.170 120.514 1.656 17707
229 1 . 1 1 89 89 ARG HA H 55 4.317 4.317 4.330 -0.013 17707
230 1 . 1 1 89 89 ARG CA C 55 53.794 53.794 55.943 -2.149 17707
231 1 . 1 1 89 89 ARG H H 55 7.934 7.934 8.288 -0.354 17707
232 1 . 1 1 90 90 GLY N N 56 106.948 106.948 107.738 -0.790 17707
233 1 . 1 1 90 90 GLY CA C 56 43.275 43.275 45.550 -2.275 17707
234 1 . 1 1 90 90 GLY H H 56 8.557 8.557 8.243 0.314 17707
235 1 . 1 1 91 91 PHE N N 57 113.487 113.487 113.700 -0.213 17707
236 1 . 1 1 91 91 PHE HA H 57 5.592 5.592 4.935 0.657 17707
237 1 . 1 1 91 91 PHE CA C 57 51.911 51.911 55.035 -3.124 17707
238 1 . 1 1 91 91 PHE CB C 57 39.778 39.778 40.723 -0.945 17707
239 1 . 1 1 91 91 PHE H H 57 6.936 6.936 7.254 -0.318 17707
240 1 . 1 1 92 92 ALA N N 58 117.841 117.841 122.117 -4.276 17707
241 1 . 1 1 92 92 ALA HA H 58 4.748 4.748 4.484 0.264 17707
242 1 . 1 1 92 92 ALA CA C 58 46.535 46.535 51.267 -4.732 17707
243 1 . 1 1 92 92 ALA CB C 58 23.598 23.598 20.731 2.867 17707
244 1 . 1 1 92 92 ALA H H 58 8.848 8.848 8.268 0.580 17707
245 1 . 1 1 93 93 PHE N N 59 115.981 115.981 127.286 -11.305 17707
246 1 . 1 1 93 93 PHE HA H 59 5.673 5.673 4.823 0.850 17707
247 1 . 1 1 93 93 PHE CA C 59 53.862 53.862 58.088 -4.226 17707
248 1 . 1 1 93 93 PHE CB C 59 37.898 37.898 39.752 -1.854 17707
249 1 . 1 1 93 93 PHE H H 59 8.824 8.824 8.076 0.747 17707
250 1 . 1 1 94 94 VAL N N 60 123.120 123.120 125.290 -2.170 17707
251 1 . 1 1 94 94 VAL HA H 60 4.304 4.304 4.392 -0.088 17707
252 1 . 1 1 94 94 VAL CA C 60 58.931 58.931 60.325 -1.394 17707
253 1 . 1 1 94 94 VAL CB C 60 31.429 31.429 34.412 -2.983 17707
254 1 . 1 1 94 94 VAL H H 60 8.581 8.581 7.717 0.864 17707
255 1 . 1 1 95 95 ARG N N 61 123.954 123.954 120.181 3.773 17707
256 1 . 1 1 95 95 ARG HA H 61 5.552 5.552 5.177 0.375 17707
257 1 . 1 1 95 95 ARG CA C 61 50.515 50.515 54.239 -3.724 17707
258 1 . 1 1 95 95 ARG H H 61 8.727 8.727 8.654 0.073 17707
259 1 . 1 1 96 96 PHE N N 62 121.921 121.921 121.999 -0.078 17707
260 1 . 1 1 96 96 PHE HA H 62 4.903 4.903 4.649 0.254 17707
261 1 . 1 1 96 96 PHE CA C 62 54.566 54.566 56.274 -1.708 17707
262 1 . 1 1 96 96 PHE CB C 62 39.886 39.886 42.743 -2.857 17707
263 1 . 1 1 96 96 PHE H H 62 9.127 9.127 8.449 0.678 17707
264 1 . 1 1 97 97 HIS N N 63 120.064 120.064 115.677 4.387 17707
265 1 . 1 1 97 97 HIS HA H 63 4.338 4.338 4.848 -0.509 17707
266 1 . 1 1 97 97 HIS CA C 63 57.261 57.261 56.285 0.976 17707
267 1 . 1 1 97 97 HIS CB C 63 27.288 27.288 31.730 -4.442 17707
268 1 . 1 1 97 97 HIS H H 63 7.982 7.982 8.874 -0.892 17707
269 1 . 1 1 98 98 ASP N N 64 119.665 119.665 121.663 -1.998 17707
270 1 . 1 1 98 98 ASP HA H 64 5.059 5.059 4.858 0.201 17707
271 1 . 1 1 98 98 ASP CA C 64 50.195 50.195 54.804 -4.609 17707
272 1 . 1 1 98 98 ASP CB C 64 41.098 41.098 42.185 -1.087 17707
273 1 . 1 1 98 98 ASP H H 64 9.096 9.096 8.422 0.674 17707
274 1 . 1 1 99 99 LYS N N 65 127.804 127.804 126.964 0.840 17707
275 1 . 1 1 99 99 LYS HA H 65 3.845 3.845 3.936 -0.091 17707
276 1 . 1 1 99 99 LYS CA C 65 57.396 57.396 59.523 -2.127 17707
277 1 . 1 1 99 99 LYS CB C 65 30.246 30.246 32.455 -2.209 17707
278 1 . 1 1 99 99 LYS H H 65 8.784 8.784 8.865 -0.081 17707
279 1 . 1 1 100 100 ARG N N 66 118.451 118.451 116.951 1.500 17707
280 1 . 1 1 100 100 ARG HA H 66 4.070 4.070 4.119 -0.049 17707
281 1 . 1 1 100 100 ARG CA C 66 56.139 56.139 58.975 -2.836 17707
282 1 . 1 1 100 100 ARG CB C 66 26.766 26.766 28.865 -2.099 17707
283 1 . 1 1 100 100 ARG H H 66 8.600 8.600 8.678 -0.078 17707
284 1 . 1 1 101 101 ASP N N 67 119.627 119.627 118.398 1.229 17707
285 1 . 1 1 101 101 ASP HA H 67 4.194 4.194 4.717 -0.523 17707
286 1 . 1 1 101 101 ASP CA C 67 54.233 54.233 56.391 -2.159 17707
287 1 . 1 1 101 101 ASP CB C 67 37.996 37.996 40.579 -2.583 17707
288 1 . 1 1 101 101 ASP H H 67 7.089 7.089 8.317 -1.228 17707
289 1 . 1 1 102 102 ALA N N 68 119.421 119.421 123.752 -4.331 17707
290 1 . 1 1 102 102 ALA HA H 68 2.964 2.964 3.578 -0.614 17707
291 1 . 1 1 102 102 ALA CA C 68 51.703 51.703 54.969 -3.266 17707
292 1 . 1 1 102 102 ALA CB C 68 15.668 15.668 18.804 -3.136 17707
293 1 . 1 1 102 102 ALA H H 68 6.832 6.832 7.730 -0.898 17707
294 1 . 1 1 103 103 GLU N N 69 117.506 117.506 117.215 0.291 17707
295 1 . 1 1 103 103 GLU HA H 69 3.658 3.658 3.957 -0.299 17707
296 1 . 1 1 103 103 GLU CA C 69 57.162 57.162 58.713 -1.551 17707
297 1 . 1 1 103 103 GLU CB C 69 26.425 26.425 29.369 -2.944 17707
298 1 . 1 1 103 103 GLU H H 69 8.011 8.011 8.419 -0.408 17707
299 1 . 1 1 104 104 ASP N N 70 120.487 120.487 120.881 -0.394 17707
300 1 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.430 -0.164 17707
301 1 . 1 1 104 104 ASP CA C 70 54.488 54.488 56.798 -2.310 17707
302 1 . 1 1 104 104 ASP CB C 70 37.462 37.462 41.004 -3.542 17707
303 1 . 1 1 104 104 ASP H H 70 8.020 8.020 7.653 0.367 17707
304 1 . 1 1 105 105 ALA N N 71 122.179 122.179 120.628 1.551 17707
305 1 . 1 1 105 105 ALA HA H 71 2.775 2.775 3.227 -0.452 17707
306 1 . 1 1 105 105 ALA CA C 71 51.745 51.745 54.522 -2.777 17707
307 1 . 1 1 105 105 ALA CB C 71 17.208 17.208 18.398 -1.190 17707
308 1 . 1 1 105 105 ALA H H 71 8.118 8.118 7.345 0.773 17707
309 1 . 1 1 106 106 MET N N 72 118.380 118.380 116.010 2.370 17707
310 1 . 1 1 106 106 MET HA H 72 3.655 3.655 4.157 -0.502 17707
311 1 . 1 1 106 106 MET CA C 72 57.188 57.188 58.568 -1.380 17707
312 1 . 1 1 106 106 MET CB C 72 30.409 30.409 32.743 -2.334 17707
313 1 . 1 1 106 106 MET H H 72 8.279 8.279 7.498 0.781 17707
314 1 . 1 1 107 107 ASP N N 73 117.030 117.030 119.507 -2.477 17707
315 1 . 1 1 107 107 ASP HA H 73 4.327 4.327 4.539 -0.212 17707
316 1 . 1 1 107 107 ASP CA C 73 54.059 54.059 55.637 -1.578 17707
317 1 . 1 1 107 107 ASP CB C 73 38.093 38.093 40.894 -2.801 17707
318 1 . 1 1 107 107 ASP H H 73 7.749 7.749 7.884 -0.135 17707
319 1 . 1 1 108 108 ALA N N 74 117.995 117.995 119.370 -1.375 17707
320 1 . 1 1 108 108 ALA HA H 74 4.124 4.124 4.597 -0.473 17707
321 1 . 1 1 108 108 ALA CA C 74 51.334 51.334 52.720 -1.386 17707
322 1 . 1 1 108 108 ALA CB C 74 17.659 17.659 20.426 -2.767 17707
323 1 . 1 1 108 108 ALA H H 74 7.347 7.347 7.382 -0.035 17707
324 1 . 1 1 109 109 MET N N 75 112.202 112.202 116.563 -4.361 17707
325 1 . 1 1 109 109 MET HA H 75 4.742 4.742 4.548 0.194 17707
326 1 . 1 1 109 109 MET CA C 75 50.546 50.546 55.664 -5.118 17707
327 1 . 1 1 109 109 MET H H 75 8.057 8.057 7.656 0.401 17707
328 1 . 1 1 110 110 ASP N N 76 120.043 120.043 120.667 -0.624 17707
329 1 . 1 1 110 110 ASP HA H 76 4.386 4.386 4.441 -0.055 17707
330 1 . 1 1 110 110 ASP CA C 76 54.945 54.945 56.387 -1.442 17707
331 1 . 1 1 110 110 ASP CB C 76 38.604 38.604 41.193 -2.589 17707
332 1 . 1 1 110 110 ASP H H 76 7.825 7.825 7.627 0.198 17707
333 1 . 1 1 111 111 GLY N N 77 117.743 117.743 112.376 5.367 17707
334 1 . 1 1 111 111 GLY CA C 77 43.016 43.016 45.668 -2.652 17707
335 1 . 1 1 111 111 GLY H H 77 8.636 8.636 8.205 0.431 17707
336 1 . 1 1 112 112 ALA N N 78 123.755 123.755 122.819 0.936 17707
337 1 . 1 1 112 112 ALA HA H 78 4.319 4.319 4.464 -0.145 17707
338 1 . 1 1 112 112 ALA CA C 78 49.036 49.036 51.454 -2.418 17707
339 1 . 1 1 112 112 ALA CB C 78 17.448 17.448 18.659 -1.211 17707
340 1 . 1 1 112 112 ALA H H 78 7.909 7.909 7.716 0.193 17707
341 1 . 1 1 113 113 VAL N N 79 118.703 118.703 118.927 -0.224 17707
342 1 . 1 1 113 113 VAL HA H 79 4.613 4.613 4.000 0.613 17707
343 1 . 1 1 113 113 VAL CB C 79 29.572 29.572 32.736 -3.164 17707
344 1 . 1 1 113 113 VAL H H 79 8.083 8.083 7.480 0.603 17707
345 1 . 1 1 114 114 LEU N N 80 129.473 129.473 118.289 11.184 17707
346 1 . 1 1 114 114 LEU HA H 80 4.543 4.543 4.697 -0.154 17707
347 1 . 1 1 114 114 LEU CA C 80 51.942 51.942 55.684 -3.742 17707
348 1 . 1 1 114 114 LEU CB C 80 42.585 42.585 42.935 -0.350 17707
349 1 . 1 1 114 114 LEU H H 80 8.895 8.895 8.397 0.498 17707
350 1 . 1 1 115 115 ASP N N 81 129.660 129.660 119.604 10.056 17707
351 1 . 1 1 115 115 ASP HA H 81 4.229 4.229 4.803 -0.574 17707
352 1 . 1 1 115 115 ASP CA C 81 52.252 52.252 54.226 -1.974 17707
353 1 . 1 1 115 115 ASP CB C 81 37.272 37.272 41.874 -4.602 17707
354 1 . 1 1 115 115 ASP H H 81 9.428 9.428 8.094 1.334 17707
355 1 . 1 1 116 116 GLY N N 82 100.557 100.557 107.886 -7.329 17707
356 1 . 1 1 116 116 GLY CA C 82 42.881 42.881 45.066 -2.185 17707
357 1 . 1 1 116 116 GLY H H 82 7.978 7.978 8.099 -0.121 17707
358 1 . 1 1 117 117 ARG N N 83 120.104 120.104 118.938 1.166 17707
359 1 . 1 1 117 117 ARG HA H 83 4.550 4.550 4.562 -0.012 17707
360 1 . 1 1 117 117 ARG CA C 83 51.106 51.106 55.538 -4.432 17707
361 1 . 1 1 117 117 ARG CB C 83 30.645 30.645 31.790 -1.145 17707
362 1 . 1 1 117 117 ARG H H 83 7.493 7.493 7.607 -0.114 17707
363 1 . 1 1 118 118 GLU N N 84 121.206 121.206 119.701 1.505 17707
364 1 . 1 1 118 118 GLU HA H 84 4.303 4.303 4.558 -0.255 17707
365 1 . 1 1 118 118 GLU CA C 84 53.429 53.429 56.499 -3.070 17707
366 1 . 1 1 118 118 GLU CB C 84 27.126 27.126 32.122 -4.996 17707
367 1 . 1 1 118 118 GLU H H 84 8.352 8.352 8.592 -0.240 17707
368 1 . 1 1 119 119 LEU N N 85 127.970 127.970 118.782 9.188 17707
369 1 . 1 1 119 119 LEU HA H 85 4.562 4.562 4.812 -0.250 17707
370 1 . 1 1 119 119 LEU CA C 85 52.523 52.523 53.644 -1.121 17707
371 1 . 1 1 119 119 LEU CB C 85 40.811 40.811 45.170 -4.359 17707
372 1 . 1 1 119 119 LEU H H 85 9.349 9.349 7.822 1.527 17707
373 1 . 1 1 120 120 ARG N N 86 121.001 121.001 121.262 -0.261 17707
374 1 . 1 1 120 120 ARG HA H 86 5.174 5.174 5.083 0.091 17707
375 1 . 1 1 120 120 ARG CA C 86 51.595 51.595 54.790 -3.195 17707
376 1 . 1 1 120 120 ARG CB C 86 29.692 29.692 32.677 -2.985 17707
377 1 . 1 1 120 120 ARG H H 86 7.512 7.512 8.319 -0.807 17707
378 1 . 1 1 121 121 VAL N N 87 125.999 125.999 123.779 2.220 17707
379 1 . 1 1 121 121 VAL HA H 87 4.938 4.938 4.923 0.015 17707
380 1 . 1 1 121 121 VAL CA C 87 58.766 58.766 60.396 -1.630 17707
381 1 . 1 1 121 121 VAL H H 87 9.437 9.437 8.523 0.914 17707
382 1 . 1 1 122 122 GLN N N 88 121.684 121.684 124.165 -2.481 17707
383 1 . 1 1 122 122 GLN HA H 88 4.969 4.969 4.627 0.342 17707
384 1 . 1 1 122 122 GLN CA C 88 50.899 50.899 53.835 -2.936 17707
385 1 . 1 1 122 122 GLN CB C 88 31.157 31.157 32.894 -1.737 17707
386 1 . 1 1 122 122 GLN H H 88 8.301 8.301 8.459 -0.158 17707
387 1 . 1 1 123 123 MET N N 89 121.937 121.937 119.806 2.131 17707
388 1 . 1 1 123 123 MET HA H 89 4.529 4.529 4.366 0.163 17707
389 1 . 1 1 123 123 MET CA C 89 53.328 53.328 55.161 -1.833 17707
390 1 . 1 1 123 123 MET CB C 89 28.750 28.750 32.510 -3.760 17707
391 1 . 1 1 123 123 MET H H 89 8.714 8.714 8.752 -0.038 17707
392 1 . 1 1 124 124 ALA N N 90 126.984 126.984 127.135 -0.151 17707
393 1 . 1 1 124 124 ALA HA H 90 4.417 4.417 4.311 0.106 17707
394 1 . 1 1 124 124 ALA CA C 90 49.803 49.803 52.461 -2.658 17707
395 1 . 1 1 124 124 ALA CB C 90 15.252 15.252 19.816 -4.564 17707
396 1 . 1 1 124 124 ALA H H 90 8.437 8.437 8.196 0.241 17707
397 1 . 1 1 125 125 ARG H H 91 9.886 9.886 8.687 1.199 17707
398 1 . 1 1 127 127 GLY CA C 93 41.736 41.736 44.353 -2.617 17707
399 1 . 1 1 128 128 ARG N N 94 120.921 120.921 120.105 0.816 17707
400 1 . 1 1 128 128 ARG H H 94 8.245 8.245 8.253 -0.008 17707
401 1 . 1 1 129 129 PRO HA H 95 4.593 4.593 4.574 0.019 17707
402 1 . 1 1 129 129 PRO CA C 95 58.989 58.989 62.309 -3.320 17707
403 1 . 1 1 130 130 PRO HA H 96 4.317 4.317 4.417 -0.100 17707
404 1 . 1 1 130 130 PRO CA C 96 60.395 60.395 63.990 -3.595 17707
405 1 . 1 1 130 130 PRO CB C 96 29.261 29.261 32.501 -3.240 17707
406 1 . 1 1 131 131 ASP N N 97 119.855 119.855 116.965 2.890 17707
407 1 . 1 1 131 131 ASP HA H 97 4.492 4.492 4.758 -0.266 17707
408 1 . 1 1 131 131 ASP CA C 97 51.415 51.415 53.537 -2.122 17707
409 1 . 1 1 131 131 ASP CB C 97 38.553 38.553 42.477 -3.924 17707
410 1 . 1 1 131 131 ASP H H 97 8.196 8.196 7.752 0.444 17707
411 1 . 1 1 132 132 SER N N 98 116.150 116.150 116.525 -0.375 17707
412 1 . 1 1 132 132 SER HA H 98 4.286 4.286 4.513 -0.227 17707
413 1 . 1 1 132 132 SER CA C 98 55.729 55.729 59.296 -3.567 17707
414 1 . 1 1 132 132 SER CB C 98 61.088 61.088 64.134 -3.046 17707
415 1 . 1 1 132 132 SER H H 98 8.070 8.070 8.614 -0.544 17707
416 1 . 1 1 133 133 HIS N N 99 119.771 119.771 116.577 3.194 17707
417 1 . 1 1 133 133 HIS CB C 99 27.067 27.067 30.509 -3.442 17707
418 1 . 1 1 133 133 HIS H H 99 8.322 8.322 8.001 0.321 17707
stop_
save_