data_18399
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18399
_Entry.PDB_ID 2LRW
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 18399
_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 8 8 LEU N N 2 125.142 125.142 121.290 3.852 18399
2 1 1 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.949 -0.475 18399
3 1 1 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.051 1.224 18399
4 1 1 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.409 -1.507 18399
5 1 1 . 1 1 8 8 LEU H H 2 8.251 8.251 7.672 0.579 18399
6 1 1 . 1 1 9 9 LEU N N 3 126.326 126.326 121.897 4.429 18399
7 1 1 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399
8 1 1 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.301 -0.258 18399
9 1 1 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.058 -1.550 18399
10 1 1 . 1 1 9 9 LEU H H 3 8.307 8.307 7.933 0.374 18399
11 1 1 . 1 1 10 10 LYS N N 4 121.349 121.349 123.721 -2.372 18399
12 1 1 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.115 -0.035 18399
13 1 1 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.717 -0.085 18399
14 1 1 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.886 0.539 18399
15 1 1 . 1 1 10 10 LYS H H 4 8.428 8.428 8.513 -0.085 18399
16 1 1 . 1 1 11 11 VAL N N 5 122.408 122.408 122.286 0.122 18399
17 1 1 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.813 -0.125 18399
18 1 1 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.952 0.374 18399
19 1 1 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.721 1.109 18399
20 1 1 . 1 1 11 11 VAL H H 5 9.088 9.088 8.517 0.571 18399
21 1 1 . 1 1 12 12 LYS N N 6 127.778 127.778 126.147 1.631 18399
22 1 1 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.289 0.063 18399
23 1 1 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.782 0.893 18399
24 1 1 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.166 -0.983 18399
25 1 1 . 1 1 12 12 LYS H H 6 9.029 9.029 8.667 0.362 18399
26 1 1 . 1 1 13 13 THR N N 7 116.723 116.723 115.055 1.668 18399
27 1 1 . 1 1 13 13 THR HA H 7 4.860 4.860 4.611 0.249 18399
28 1 1 . 1 1 13 13 THR CA C 7 60.392 60.392 60.348 0.044 18399
29 1 1 . 1 1 13 13 THR CB C 7 71.189 71.189 70.856 0.333 18399
30 1 1 . 1 1 13 13 THR H H 7 8.790 8.790 8.307 0.483 18399
31 1 1 . 1 1 14 14 VAL N N 8 119.340 119.340 120.765 -1.425 18399
32 1 1 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.177 -0.074 18399
33 1 1 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.365 0.347 18399
34 1 1 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.060 -0.900 18399
35 1 1 . 1 1 14 14 VAL H H 8 8.872 8.872 8.565 0.307 18399
36 1 1 . 1 1 15 15 SER N N 9 114.630 114.630 114.540 0.090 18399
37 1 1 . 1 1 15 15 SER HA H 9 4.513 4.513 4.553 -0.040 18399
38 1 1 . 1 1 15 15 SER CA C 9 57.913 57.913 58.525 -0.612 18399
39 1 1 . 1 1 15 15 SER CB C 9 63.243 63.243 63.359 -0.116 18399
40 1 1 . 1 1 15 15 SER H H 9 7.859 7.859 7.590 0.269 18399
41 1 1 . 1 1 16 16 ASN N N 10 115.509 115.509 118.187 -2.678 18399
42 1 1 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.458 -0.266 18399
43 1 1 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.768 0.193 18399
44 1 1 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.634 -1.339 18399
45 1 1 . 1 1 16 16 ASN H H 10 8.229 8.229 7.947 0.282 18399
46 1 1 . 1 1 17 17 LYS N N 11 120.345 120.345 119.397 0.948 18399
47 1 1 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.503 -0.248 18399
48 1 1 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.162 1.185 18399
49 1 1 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.972 -0.036 18399
50 1 1 . 1 1 17 17 LYS H H 11 7.315 7.315 7.581 -0.266 18399
51 1 1 . 1 1 18 18 VAL N N 12 125.270 125.270 125.150 0.120 18399
52 1 1 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.619 0.018 18399
53 1 1 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.445 0.304 18399
54 1 1 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.942 -0.750 18399
55 1 1 . 1 1 18 18 VAL H H 12 8.576 8.576 8.215 0.361 18399
56 1 1 . 1 1 19 19 ILE N N 13 130.928 130.928 127.613 3.315 18399
57 1 1 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.412 -0.259 18399
58 1 1 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.449 0.996 18399
59 1 1 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.595 0.600 18399
60 1 1 . 1 1 19 19 ILE H H 13 9.486 9.486 8.814 0.672 18399
61 1 1 . 1 1 20 20 GLN N N 14 124.762 124.762 126.739 -1.977 18399
62 1 1 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.816 0.246 18399
63 1 1 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.650 0.145 18399
64 1 1 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.183 0.418 18399
65 1 1 . 1 1 20 20 GLN H H 14 8.803 8.803 8.480 0.323 18399
66 1 1 . 1 1 21 21 ILE N N 15 126.010 126.010 119.965 6.045 18399
67 1 1 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.666 -0.153 18399
68 1 1 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.650 -0.011 18399
69 1 1 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.893 -1.722 18399
70 1 1 . 1 1 21 21 ILE H H 15 9.076 9.076 8.057 1.019 18399
71 1 1 . 1 1 22 22 THR N N 16 118.074 118.074 118.065 0.009 18399
72 1 1 . 1 1 22 22 THR HA H 16 4.904 4.904 4.489 0.415 18399
73 1 1 . 1 1 22 22 THR CA C 16 61.462 61.462 61.397 0.065 18399
74 1 1 . 1 1 22 22 THR CB C 16 69.657 69.657 68.326 1.331 18399
75 1 1 . 1 1 22 22 THR H H 16 9.047 9.047 8.527 0.519 18399
76 1 1 . 1 1 23 23 SER N N 17 113.130 113.130 116.117 -2.987 18399
77 1 1 . 1 1 23 23 SER HA H 17 4.440 4.440 4.617 -0.177 18399
78 1 1 . 1 1 23 23 SER CA C 17 58.002 58.002 58.802 -0.800 18399
79 1 1 . 1 1 23 23 SER CB C 17 64.268 64.268 63.886 0.382 18399
80 1 1 . 1 1 23 23 SER H H 17 7.330 7.330 7.760 -0.430 18399
81 1 1 . 1 1 24 24 LEU N N 18 123.241 123.241 125.693 -2.452 18399
82 1 1 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.748 -0.009 18399
83 1 1 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.138 -0.280 18399
84 1 1 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.685 -2.195 18399
85 1 1 . 1 1 24 24 LEU H H 18 8.728 8.728 8.092 0.636 18399
86 1 1 . 1 1 25 25 THR N N 19 111.915 111.915 115.146 -3.231 18399
87 1 1 . 1 1 25 25 THR HA H 19 4.816 4.816 4.361 0.455 18399
88 1 1 . 1 1 25 25 THR CA C 19 59.575 59.575 61.675 -2.100 18399
89 1 1 . 1 1 25 25 THR CB C 19 72.043 72.043 69.805 2.239 18399
90 1 1 . 1 1 25 25 THR H H 19 9.363 9.363 8.262 1.101 18399
91 1 1 . 1 1 26 26 ASP N N 20 117.183 117.183 117.406 -0.223 18399
92 1 1 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.628 -0.295 18399
93 1 1 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.533 2.196 18399
94 1 1 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.675 -2.293 18399
95 1 1 . 1 1 26 26 ASP H H 20 8.785 8.785 8.362 0.423 18399
96 1 1 . 1 1 27 27 ASP N N 21 116.327 116.327 119.283 -2.956 18399
97 1 1 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.599 0.075 18399
98 1 1 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.724 -0.954 18399
99 1 1 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.646 0.648 18399
100 1 1 . 1 1 27 27 ASP H H 21 7.775 7.775 8.166 -0.391 18399
101 1 1 . 1 1 28 28 ASN N N 22 117.269 117.269 113.545 3.724 18399
102 1 1 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.738 0.154 18399
103 1 1 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.666 1.144 18399
104 1 1 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.781 1.320 18399
105 1 1 . 1 1 28 28 ASN H H 22 7.829 7.829 8.318 -0.489 18399
106 1 1 . 1 1 29 29 THR N N 23 108.639 108.639 114.281 -5.642 18399
107 1 1 . 1 1 29 29 THR HA H 23 5.206 5.206 3.918 1.288 18399
108 1 1 . 1 1 29 29 THR CA C 23 59.830 59.830 66.389 -6.559 18399
109 1 1 . 1 1 29 29 THR CB C 23 72.396 72.396 67.755 4.641 18399
110 1 1 . 1 1 29 29 THR H H 23 9.145 9.145 8.033 1.112 18399
111 1 1 . 1 1 30 30 ILE N N 24 120.336 120.336 122.850 -2.514 18399
112 1 1 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.883 -0.197 18399
113 1 1 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.812 -3.232 18399
114 1 1 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.711 -4.367 18399
115 1 1 . 1 1 30 30 ILE H H 24 8.477 8.477 8.263 0.214 18399
116 1 1 . 1 1 31 31 ALA N N 25 123.489 123.489 122.760 0.729 18399
117 1 1 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.077 -0.206 18399
118 1 1 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.339 0.617 18399
119 1 1 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.921 0.239 18399
120 1 1 . 1 1 31 31 ALA H H 25 8.951 8.951 7.723 1.228 18399
121 1 1 . 1 1 32 32 GLU N N 26 120.101 120.101 119.385 0.716 18399
122 1 1 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.169 -0.154 18399
123 1 1 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.271 0.080 18399
124 1 1 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.296 -0.574 18399
125 1 1 . 1 1 32 32 GLU H H 26 7.988 7.988 8.532 -0.544 18399
126 1 1 . 1 1 33 33 LEU N N 27 124.025 124.025 120.330 3.695 18399
127 1 1 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.100 -0.067 18399
128 1 1 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.755 0.907 18399
129 1 1 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.721 -1.564 18399
130 1 1 . 1 1 33 33 LEU H H 27 8.083 8.083 7.591 0.492 18399
131 1 1 . 1 1 34 34 LYS N N 28 119.471 119.471 118.719 0.752 18399
132 1 1 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.180 -0.381 18399
133 1 1 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.645 1.865 18399
134 1 1 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.678 0.170 18399
135 1 1 . 1 1 34 34 LYS H H 28 8.746 8.746 8.656 0.090 18399
136 1 1 . 1 1 35 35 GLY N N 29 106.034 106.034 107.881 -1.847 18399
137 1 1 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.883 0.159 18399
138 1 1 . 1 1 35 35 GLY H H 29 8.096 8.096 8.417 -0.321 18399
139 1 1 . 1 1 36 36 LYS N N 30 121.196 121.196 122.339 -1.143 18399
140 1 1 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.211 0.026 18399
141 1 1 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.858 -1.516 18399
142 1 1 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.276 -1.743 18399
143 1 1 . 1 1 36 36 LYS H H 30 7.704 7.704 7.741 -0.037 18399
144 1 1 . 1 1 37 37 LEU N N 31 121.657 121.657 121.285 0.372 18399
145 1 1 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.146 0.149 18399
146 1 1 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.759 -0.477 18399
147 1 1 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.480 0.712 18399
148 1 1 . 1 1 37 37 LEU H H 31 7.948 7.948 7.946 0.002 18399
149 1 1 . 1 1 38 38 GLU N N 32 123.295 123.295 118.673 4.622 18399
150 1 1 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.013 0.341 18399
151 1 1 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.943 0.361 18399
152 1 1 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.955 0.384 18399
153 1 1 . 1 1 38 38 GLU H H 32 8.714 8.714 8.059 0.655 18399
154 1 1 . 1 1 39 39 GLU N N 33 118.296 118.296 119.881 -1.585 18399
155 1 1 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.085 -0.099 18399
156 1 1 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.906 0.236 18399
157 1 1 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.607 -0.005 18399
158 1 1 . 1 1 39 39 GLU H H 33 7.470 7.470 7.982 -0.512 18399
159 1 1 . 1 1 40 40 SER N N 34 112.266 112.266 114.752 -2.486 18399
160 1 1 . 1 1 40 40 SER CA C 34 61.150 61.150 61.027 0.123 18399
161 1 1 . 1 1 40 40 SER CB C 34 63.578 63.578 63.257 0.321 18399
162 1 1 . 1 1 40 40 SER H H 34 8.054 8.054 7.816 0.238 18399
163 1 1 . 1 1 41 41 GLU N N 35 116.449 116.449 120.299 -3.850 18399
164 1 1 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.371 -0.004 18399
165 1 1 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.508 -1.452 18399
166 1 1 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.898 0.646 18399
167 1 1 . 1 1 41 41 GLU H H 35 8.908 8.908 7.821 1.087 18399
168 1 1 . 1 1 42 42 GLY N N 36 108.168 108.168 108.452 -0.284 18399
169 1 1 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.018 0.406 18399
170 1 1 . 1 1 42 42 GLY H H 36 7.930 7.930 7.673 0.257 18399
171 1 1 . 1 1 43 43 ILE N N 37 120.326 120.326 116.910 3.416 18399
172 1 1 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.544 -0.814 18399
173 1 1 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.810 1.409 18399
174 1 1 . 1 1 43 43 ILE H H 37 6.446 6.446 7.229 -0.783 18399
175 1 1 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.610 -0.434 18399
176 1 1 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.611 0.407 18399
177 1 1 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.579 -0.420 18399
178 1 1 . 1 1 45 45 GLY N N 39 111.710 111.710 110.412 1.298 18399
179 1 1 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.597 1.009 18399
180 1 1 . 1 1 45 45 GLY H H 39 9.228 9.228 8.606 0.622 18399
181 1 1 . 1 1 46 46 ASN N N 40 114.967 114.967 115.513 -0.546 18399
182 1 1 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.672 -0.160 18399
183 1 1 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.568 0.905 18399
184 1 1 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.543 -2.033 18399
185 1 1 . 1 1 46 46 ASN H H 40 8.325 8.325 7.950 0.375 18399
186 1 1 . 1 1 47 47 MET N N 41 118.446 118.446 119.046 -0.600 18399
187 1 1 . 1 1 47 47 MET HA H 41 4.557 4.557 4.535 0.022 18399
188 1 1 . 1 1 47 47 MET CA C 41 54.886 54.886 56.578 -1.692 18399
189 1 1 . 1 1 47 47 MET CB C 41 32.632 32.632 33.881 -1.249 18399
190 1 1 . 1 1 47 47 MET H H 41 8.247 8.247 7.990 0.257 18399
191 1 1 . 1 1 48 48 ILE N N 42 119.569 119.569 116.098 3.471 18399
192 1 1 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.747 0.349 18399
193 1 1 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.942 0.807 18399
194 1 1 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.523 3.913 18399
195 1 1 . 1 1 48 48 ILE H H 42 7.422 7.422 7.956 -0.534 18399
196 1 1 . 1 1 49 49 ARG N N 43 127.179 127.179 122.057 5.122 18399
197 1 1 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.630 -0.050 18399
198 1 1 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.355 -0.393 18399
199 1 1 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.759 -1.730 18399
200 1 1 . 1 1 49 49 ARG H H 43 8.967 8.967 7.826 1.141 18399
201 1 1 . 1 1 50 50 LEU N N 44 122.639 122.639 122.108 0.531 18399
202 1 1 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.099 0.308 18399
203 1 1 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.353 -0.658 18399
204 1 1 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.765 2.890 18399
205 1 1 . 1 1 50 50 LEU H H 44 8.603 8.603 8.428 0.175 18399
206 1 1 . 1 1 51 51 VAL N N 45 121.931 121.931 118.532 3.399 18399
207 1 1 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.854 -0.146 18399
208 1 1 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.343 0.241 18399
209 1 1 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.499 2.102 18399
210 1 1 . 1 1 51 51 VAL H H 45 8.960 8.960 8.563 0.397 18399
211 1 1 . 1 1 52 52 TYR N N 46 126.384 126.384 128.351 -1.967 18399
212 1 1 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.790 0.299 18399
213 1 1 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.170 -0.095 18399
214 1 1 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.774 1.895 18399
215 1 1 . 1 1 52 52 TYR H H 46 8.879 8.879 8.875 0.004 18399
216 1 1 . 1 1 53 53 GLN N N 47 127.041 127.041 128.168 -1.127 18399
217 1 1 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.981 -0.325 18399
218 1 1 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.512 -0.238 18399
219 1 1 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.695 -2.254 18399
220 1 1 . 1 1 53 53 GLN H H 47 9.323 9.323 9.498 -0.175 18399
221 1 1 . 1 1 54 54 GLY N N 48 102.991 102.991 102.260 0.731 18399
222 1 1 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.330 0.043 18399
223 1 1 . 1 1 54 54 GLY H H 48 8.358 8.358 8.610 -0.252 18399
224 1 1 . 1 1 55 55 LYS N N 49 121.595 121.595 121.245 0.350 18399
225 1 1 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399
226 1 1 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.587 -0.247 18399
227 1 1 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.531 -0.330 18399
228 1 1 . 1 1 55 55 LYS H H 49 7.819 7.819 7.996 -0.177 18399
229 1 1 . 1 1 56 56 GLN N N 50 122.484 122.484 119.452 3.032 18399
230 1 1 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.698 -0.113 18399
231 1 1 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.665 1.113 18399
232 1 1 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.750 -2.049 18399
233 1 1 . 1 1 56 56 GLN H H 50 8.757 8.757 8.397 0.360 18399
234 1 1 . 1 1 57 57 LEU N N 51 125.130 125.130 120.562 4.568 18399
235 1 1 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.030 0.270 18399
236 1 1 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.202 -1.062 18399
237 1 1 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.171 1.054 18399
238 1 1 . 1 1 57 57 LEU H H 51 8.442 8.442 8.852 -0.410 18399
239 1 1 . 1 1 58 58 GLU N N 52 122.551 122.551 120.656 1.895 18399
240 1 1 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.471 -0.012 18399
241 1 1 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.839 -0.729 18399
242 1 1 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.290 0.756 18399
243 1 1 . 1 1 58 58 GLU H H 52 8.125 8.125 8.670 -0.545 18399
244 1 1 . 1 1 59 59 ASP N N 53 122.235 122.235 122.202 0.033 18399
245 1 1 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.360 -0.215 18399
246 1 1 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.675 0.024 18399
247 1 1 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.772 0.239 18399
248 1 1 . 1 1 59 59 ASP H H 53 8.346 8.346 8.753 -0.407 18399
249 1 1 . 1 1 60 60 GLU N N 54 113.128 113.128 117.153 -4.025 18399
250 1 1 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.105 0.210 18399
251 1 1 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.206 -0.870 18399
252 1 1 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.556 -0.514 18399
253 1 1 . 1 1 60 60 GLU H H 54 8.756 8.756 8.493 0.263 18399
254 1 1 . 1 1 61 61 LYS N N 55 119.869 119.869 119.092 0.777 18399
255 1 1 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.382 -0.131 18399
256 1 1 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.682 1.275 18399
257 1 1 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.414 1.530 18399
258 1 1 . 1 1 61 61 LYS H H 55 7.677 7.677 7.741 -0.064 18399
259 1 1 . 1 1 62 62 ARG N N 56 117.724 117.724 120.199 -2.475 18399
260 1 1 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399
261 1 1 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.731 2.389 18399
262 1 1 . 1 1 62 62 ARG H H 56 8.797 8.797 7.672 1.125 18399
263 1 1 . 1 1 63 63 LEU N N 57 123.223 123.223 121.779 1.444 18399
264 1 1 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.209 -0.171 18399
265 1 1 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.413 2.010 18399
266 1 1 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.689 -1.291 18399
267 1 1 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399
268 1 1 . 1 1 64 64 LYS N N 58 114.073 114.073 118.580 -4.507 18399
269 1 1 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.991 0.418 18399
270 1 1 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.183 -1.349 18399
271 1 1 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.613 -0.489 18399
272 1 1 . 1 1 64 64 LYS H H 58 8.681 8.681 8.249 0.432 18399
273 1 1 . 1 1 65 65 ASP N N 59 120.640 120.640 118.927 1.713 18399
274 1 1 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.559 -0.140 18399
275 1 1 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.933 0.573 18399
276 1 1 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.845 -0.797 18399
277 1 1 . 1 1 65 65 ASP H H 59 7.862 7.862 8.197 -0.335 18399
278 1 1 . 1 1 66 66 TYR N N 60 117.775 117.775 120.967 -3.192 18399
279 1 1 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.311 0.305 18399
280 1 1 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.633 -2.483 18399
281 1 1 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.935 0.394 18399
282 1 1 . 1 1 66 66 TYR H H 60 7.545 7.545 8.086 -0.541 18399
283 1 1 . 1 1 67 67 GLN N N 61 117.450 117.450 117.760 -0.310 18399
284 1 1 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.071 0.112 18399
285 1 1 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.175 -0.557 18399
286 1 1 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.713 -2.135 18399
287 1 1 . 1 1 67 67 GLN H H 61 8.155 8.155 7.697 0.458 18399
288 1 1 . 1 1 68 68 MET N N 62 120.193 120.193 118.306 1.887 18399
289 1 1 . 1 1 68 68 MET HA H 62 4.470 4.470 4.366 0.104 18399
290 1 1 . 1 1 68 68 MET CA C 62 55.767 55.767 55.730 0.037 18399
291 1 1 . 1 1 68 68 MET CB C 62 33.105 33.105 32.706 0.399 18399
292 1 1 . 1 1 68 68 MET H H 62 7.997 7.997 7.430 0.567 18399
293 1 1 . 1 1 69 69 SER N N 63 116.722 116.722 112.367 4.355 18399
294 1 1 . 1 1 69 69 SER HA H 63 4.530 4.530 4.200 0.330 18399
295 1 1 . 1 1 69 69 SER CA C 63 57.654 57.654 59.665 -2.011 18399
296 1 1 . 1 1 69 69 SER CB C 63 64.803 64.803 62.190 2.613 18399
297 1 1 . 1 1 69 69 SER H H 63 8.073 8.073 8.635 -0.562 18399
298 1 1 . 1 1 70 70 ALA N N 64 123.286 123.286 120.380 2.906 18399
299 1 1 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.441 -0.185 18399
300 1 1 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.035 1.531 18399
301 1 1 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.229 -0.987 18399
302 1 1 . 1 1 70 70 ALA H H 64 8.492 8.492 8.051 0.441 18399
303 1 1 . 1 1 71 71 GLY N N 65 110.294 110.294 108.135 2.159 18399
304 1 1 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.875 0.252 18399
305 1 1 . 1 1 71 71 GLY H H 65 8.907 8.907 8.010 0.897 18399
306 1 1 . 1 1 72 72 ALA N N 66 123.229 123.229 128.626 -5.397 18399
307 1 1 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.186 0.102 18399
308 1 1 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.314 0.562 18399
309 1 1 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.477 0.348 18399
310 1 1 . 1 1 72 72 ALA H H 66 7.572 7.572 8.640 -1.068 18399
311 1 1 . 1 1 73 73 THR N N 67 116.161 116.161 114.799 1.362 18399
312 1 1 . 1 1 73 73 THR HA H 67 5.060 5.060 4.357 0.703 18399
313 1 1 . 1 1 73 73 THR CA C 67 61.493 61.493 60.675 0.818 18399
314 1 1 . 1 1 73 73 THR CB C 67 71.022 71.022 71.151 -0.129 18399
315 1 1 . 1 1 73 73 THR H H 67 8.253 8.253 8.594 -0.341 18399
316 1 1 . 1 1 74 74 PHE N N 68 124.518 124.518 126.121 -1.603 18399
317 1 1 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.261 0.108 18399
318 1 1 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.105 -2.092 18399
319 1 1 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.977 -1.084 18399
320 1 1 . 1 1 74 74 PHE H H 68 8.989 8.989 8.406 0.583 18399
321 1 1 . 1 1 75 75 HIS N N 69 120.835 120.835 127.088 -6.253 18399
322 1 1 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.802 0.344 18399
323 1 1 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.114 1.016 18399
324 1 1 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.248 0.335 18399
325 1 1 . 1 1 75 75 HIS H H 69 9.300 9.300 8.670 0.630 18399
326 1 1 . 1 1 76 76 MET N N 70 122.731 122.731 123.028 -0.297 18399
327 1 1 . 1 1 76 76 MET HA H 70 5.199 5.199 4.603 0.596 18399
328 1 1 . 1 1 76 76 MET CA C 70 54.683 54.683 54.617 0.066 18399
329 1 1 . 1 1 76 76 MET CB C 70 35.426 35.426 35.714 -0.288 18399
330 1 1 . 1 1 76 76 MET H H 70 8.563 8.563 8.339 0.224 18399
331 1 1 . 1 1 77 77 VAL N N 71 128.801 128.801 125.773 3.028 18399
332 1 1 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.361 -0.084 18399
333 1 1 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.034 0.309 18399
334 1 1 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.770 0.886 18399
335 1 1 . 1 1 77 77 VAL H H 71 9.118 9.118 8.401 0.717 18399
336 1 1 . 1 1 78 78 VAL N N 72 125.528 125.528 130.039 -4.511 18399
337 1 1 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.349 0.269 18399
338 1 1 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.523 0.962 18399
339 1 1 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.700 -0.389 18399
340 1 1 . 1 1 78 78 VAL H H 72 8.544 8.544 8.289 0.255 18399
341 1 1 . 1 1 79 79 ALA N N 73 131.664 131.664 132.218 -0.554 18399
342 1 1 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.954 -0.631 18399
343 1 1 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.407 0.339 18399
344 1 1 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.039 0.406 18399
345 1 1 . 1 1 79 79 ALA H H 73 8.957 8.957 8.181 0.776 18399
346 1 1 . 1 1 80 80 LEU N N 74 120.722 120.722 119.499 1.223 18399
347 1 1 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.693 -0.414 18399
348 1 1 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.760 0.431 18399
349 1 1 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.406 0.950 18399
350 1 1 . 1 1 80 80 LEU H H 74 8.193 8.193 8.357 -0.164 18399
351 1 1 . 1 1 81 81 ARG N N 75 121.022 121.022 121.654 -0.632 18399
352 1 1 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.275 0.019 18399
353 1 1 . 1 1 81 81 ARG CA C 75 55.604 55.604 57.452 -1.847 18399
354 1 1 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.772 0.084 18399
355 1 1 . 1 1 81 81 ARG H H 75 8.207 8.207 8.127 0.080 18399
356 1 1 . 1 1 82 82 ALA N N 76 125.815 125.815 118.533 7.282 18399
357 1 1 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.385 -0.107 18399
358 1 1 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.369 0.109 18399
359 1 1 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.944 -1.131 18399
360 1 1 . 1 1 82 82 ALA H H 76 8.471 8.471 7.671 0.800 18399
361 1 1 . 1 1 83 83 GLY N N 77 109.110 109.110 108.427 0.683 18399
362 1 1 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.332 0.004 18399
363 1 1 . 1 1 83 83 GLY H H 77 8.506 8.506 8.844 -0.338 18399
364 1 2 . 1 1 8 8 LEU N N 2 125.142 125.142 121.813 3.329 18399
365 1 2 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.106 -0.632 18399
366 1 2 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.894 1.381 18399
367 1 2 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.613 -1.711 18399
368 1 2 . 1 1 8 8 LEU H H 2 8.251 8.251 7.697 0.554 18399
369 1 2 . 1 1 9 9 LEU N N 3 126.326 126.326 121.498 4.828 18399
370 1 2 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.930 -0.134 18399
371 1 2 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.270 -0.227 18399
372 1 2 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.022 -1.514 18399
373 1 2 . 1 1 9 9 LEU H H 3 8.307 8.307 8.137 0.170 18399
374 1 2 . 1 1 10 10 LYS N N 4 121.349 121.349 123.417 -2.068 18399
375 1 2 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.996 0.084 18399
376 1 2 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.831 -0.199 18399
377 1 2 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.900 0.525 18399
378 1 2 . 1 1 10 10 LYS H H 4 8.428 8.428 8.437 -0.009 18399
379 1 2 . 1 1 11 11 VAL N N 5 122.408 122.408 122.672 -0.264 18399
380 1 2 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.923 -0.235 18399
381 1 2 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.898 0.428 18399
382 1 2 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.834 0.997 18399
383 1 2 . 1 1 11 11 VAL H H 5 9.088 9.088 8.361 0.727 18399
384 1 2 . 1 1 12 12 LYS N N 6 127.778 127.778 126.282 1.496 18399
385 1 2 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.309 0.043 18399
386 1 2 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.859 0.816 18399
387 1 2 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.265 -1.081 18399
388 1 2 . 1 1 12 12 LYS H H 6 9.029 9.029 8.602 0.427 18399
389 1 2 . 1 1 13 13 THR N N 7 116.723 116.723 118.432 -1.709 18399
390 1 2 . 1 1 13 13 THR HA H 7 4.860 4.860 4.745 0.115 18399
391 1 2 . 1 1 13 13 THR CA C 7 60.392 60.392 60.161 0.231 18399
392 1 2 . 1 1 13 13 THR CB C 7 71.189 71.189 69.875 1.314 18399
393 1 2 . 1 1 13 13 THR H H 7 8.790 8.790 8.480 0.310 18399
394 1 2 . 1 1 14 14 VAL N N 8 119.340 119.340 121.615 -2.275 18399
395 1 2 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.111 -0.008 18399
396 1 2 . 1 1 14 14 VAL CA C 8 64.712 64.712 63.505 1.206 18399
397 1 2 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.542 -0.382 18399
398 1 2 . 1 1 14 14 VAL H H 8 8.872 8.872 8.515 0.357 18399
399 1 2 . 1 1 15 15 SER N N 9 114.630 114.630 114.054 0.576 18399
400 1 2 . 1 1 15 15 SER HA H 9 4.513 4.513 4.507 0.006 18399
401 1 2 . 1 1 15 15 SER CA C 9 57.913 57.913 58.204 -0.291 18399
402 1 2 . 1 1 15 15 SER CB C 9 63.243 63.243 62.853 0.390 18399
403 1 2 . 1 1 15 15 SER H H 9 7.859 7.859 8.091 -0.232 18399
404 1 2 . 1 1 16 16 ASN N N 10 115.509 115.509 117.399 -1.890 18399
405 1 2 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.438 -0.246 18399
406 1 2 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.422 0.539 18399
407 1 2 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.195 -0.900 18399
408 1 2 . 1 1 16 16 ASN H H 10 8.229 8.229 7.921 0.308 18399
409 1 2 . 1 1 17 17 LYS N N 11 120.345 120.345 119.599 0.746 18399
410 1 2 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.492 -0.237 18399
411 1 2 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.175 1.172 18399
412 1 2 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.070 -0.134 18399
413 1 2 . 1 1 17 17 LYS H H 11 7.315 7.315 7.566 -0.251 18399
414 1 2 . 1 1 18 18 VAL N N 12 125.270 125.270 125.225 0.045 18399
415 1 2 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.429 0.208 18399
416 1 2 . 1 1 18 18 VAL CA C 12 61.749 61.749 62.028 -0.279 18399
417 1 2 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.971 -0.779 18399
418 1 2 . 1 1 18 18 VAL H H 12 8.576 8.576 8.327 0.249 18399
419 1 2 . 1 1 19 19 ILE N N 13 130.928 130.928 128.115 2.813 18399
420 1 2 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.398 -0.245 18399
421 1 2 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.551 0.894 18399
422 1 2 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.450 0.745 18399
423 1 2 . 1 1 19 19 ILE H H 13 9.486 9.486 8.813 0.673 18399
424 1 2 . 1 1 20 20 GLN N N 14 124.762 124.762 127.013 -2.251 18399
425 1 2 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.813 0.249 18399
426 1 2 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.563 0.232 18399
427 1 2 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.229 0.372 18399
428 1 2 . 1 1 20 20 GLN H H 14 8.803 8.803 8.496 0.307 18399
429 1 2 . 1 1 21 21 ILE N N 15 126.010 126.010 121.106 4.904 18399
430 1 2 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.592 -0.079 18399
431 1 2 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.621 0.018 18399
432 1 2 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.349 -1.178 18399
433 1 2 . 1 1 21 21 ILE H H 15 9.076 9.076 8.108 0.968 18399
434 1 2 . 1 1 22 22 THR N N 16 118.074 118.074 117.279 0.795 18399
435 1 2 . 1 1 22 22 THR HA H 16 4.904 4.904 4.545 0.359 18399
436 1 2 . 1 1 22 22 THR CA C 16 61.462 61.462 61.697 -0.235 18399
437 1 2 . 1 1 22 22 THR CB C 16 69.657 69.657 68.225 1.432 18399
438 1 2 . 1 1 22 22 THR H H 16 9.047 9.047 8.489 0.558 18399
439 1 2 . 1 1 23 23 SER N N 17 113.130 113.130 117.814 -4.684 18399
440 1 2 . 1 1 23 23 SER HA H 17 4.440 4.440 4.607 -0.167 18399
441 1 2 . 1 1 23 23 SER CA C 17 58.002 58.002 58.561 -0.559 18399
442 1 2 . 1 1 23 23 SER CB C 17 64.268 64.268 63.623 0.645 18399
443 1 2 . 1 1 23 23 SER H H 17 7.330 7.330 8.304 -0.974 18399
444 1 2 . 1 1 24 24 LEU N N 18 123.241 123.241 124.679 -1.438 18399
445 1 2 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.838 -0.099 18399
446 1 2 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.740 0.118 18399
447 1 2 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.944 -2.454 18399
448 1 2 . 1 1 24 24 LEU H H 18 8.728 8.728 7.878 0.850 18399
449 1 2 . 1 1 25 25 THR N N 19 111.915 111.915 115.814 -3.899 18399
450 1 2 . 1 1 25 25 THR HA H 19 4.816 4.816 4.463 0.353 18399
451 1 2 . 1 1 25 25 THR CA C 19 59.575 59.575 61.835 -2.260 18399
452 1 2 . 1 1 25 25 THR CB C 19 72.043 72.043 69.851 2.192 18399
453 1 2 . 1 1 25 25 THR H H 19 9.363 9.363 8.400 0.963 18399
454 1 2 . 1 1 26 26 ASP N N 20 117.183 117.183 117.196 -0.013 18399
455 1 2 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.792 -0.459 18399
456 1 2 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.478 2.251 18399
457 1 2 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.359 -1.977 18399
458 1 2 . 1 1 26 26 ASP H H 20 8.785 8.785 8.476 0.309 18399
459 1 2 . 1 1 27 27 ASP N N 21 116.327 116.327 118.801 -2.474 18399
460 1 2 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.593 0.081 18399
461 1 2 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.304 -0.534 18399
462 1 2 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.662 0.632 18399
463 1 2 . 1 1 27 27 ASP H H 21 7.775 7.775 8.110 -0.335 18399
464 1 2 . 1 1 28 28 ASN N N 22 117.269 117.269 114.076 3.193 18399
465 1 2 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.795 0.097 18399
466 1 2 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.730 1.080 18399
467 1 2 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.854 1.247 18399
468 1 2 . 1 1 28 28 ASN H H 22 7.829 7.829 8.162 -0.333 18399
469 1 2 . 1 1 29 29 THR N N 23 108.639 108.639 114.142 -5.503 18399
470 1 2 . 1 1 29 29 THR HA H 23 5.206 5.206 3.897 1.309 18399
471 1 2 . 1 1 29 29 THR CA C 23 59.830 59.830 66.453 -6.623 18399
472 1 2 . 1 1 29 29 THR CB C 23 72.396 72.396 67.540 4.856 18399
473 1 2 . 1 1 29 29 THR H H 23 9.145 9.145 8.030 1.115 18399
474 1 2 . 1 1 30 30 ILE N N 24 120.336 120.336 123.008 -2.672 18399
475 1 2 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.845 -0.159 18399
476 1 2 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.928 -3.348 18399
477 1 2 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.698 -4.354 18399
478 1 2 . 1 1 30 30 ILE H H 24 8.477 8.477 8.246 0.231 18399
479 1 2 . 1 1 31 31 ALA N N 25 123.489 123.489 122.591 0.898 18399
480 1 2 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.182 -0.311 18399
481 1 2 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.323 0.633 18399
482 1 2 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.145 0.015 18399
483 1 2 . 1 1 31 31 ALA H H 25 8.951 8.951 7.704 1.247 18399
484 1 2 . 1 1 32 32 GLU N N 26 120.101 120.101 119.106 0.995 18399
485 1 2 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.156 -0.141 18399
486 1 2 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.116 0.235 18399
487 1 2 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.248 -0.526 18399
488 1 2 . 1 1 32 32 GLU H H 26 7.988 7.988 8.563 -0.575 18399
489 1 2 . 1 1 33 33 LEU N N 27 124.025 124.025 120.270 3.755 18399
490 1 2 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.021 0.012 18399
491 1 2 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.782 0.880 18399
492 1 2 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.193 -2.036 18399
493 1 2 . 1 1 33 33 LEU H H 27 8.083 8.083 7.657 0.426 18399
494 1 2 . 1 1 34 34 LYS N N 28 119.471 119.471 118.447 1.024 18399
495 1 2 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.119 -0.320 18399
496 1 2 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.654 1.855 18399
497 1 2 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.795 0.053 18399
498 1 2 . 1 1 34 34 LYS H H 28 8.746 8.746 8.677 0.069 18399
499 1 2 . 1 1 35 35 GLY N N 29 106.034 106.034 107.888 -1.854 18399
500 1 2 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.870 0.172 18399
501 1 2 . 1 1 35 35 GLY H H 29 8.096 8.096 8.413 -0.317 18399
502 1 2 . 1 1 36 36 LYS N N 30 121.196 121.196 122.490 -1.294 18399
503 1 2 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.147 0.090 18399
504 1 2 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.988 -1.646 18399
505 1 2 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.336 -1.803 18399
506 1 2 . 1 1 36 36 LYS H H 30 7.704 7.704 7.771 -0.067 18399
507 1 2 . 1 1 37 37 LEU N N 31 121.657 121.657 121.151 0.506 18399
508 1 2 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.062 0.233 18399
509 1 2 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.860 -0.578 18399
510 1 2 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.240 -0.048 18399
511 1 2 . 1 1 37 37 LEU H H 31 7.948 7.948 8.045 -0.097 18399
512 1 2 . 1 1 38 38 GLU N N 32 123.295 123.295 118.459 4.836 18399
513 1 2 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.978 0.376 18399
514 1 2 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.849 0.455 18399
515 1 2 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.023 0.317 18399
516 1 2 . 1 1 38 38 GLU H H 32 8.714 8.714 8.160 0.554 18399
517 1 2 . 1 1 39 39 GLU N N 33 118.296 118.296 119.964 -1.668 18399
518 1 2 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.086 -0.100 18399
519 1 2 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.833 0.309 18399
520 1 2 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.574 0.028 18399
521 1 2 . 1 1 39 39 GLU H H 33 7.470 7.470 7.905 -0.435 18399
522 1 2 . 1 1 40 40 SER N N 34 112.266 112.266 114.570 -2.304 18399
523 1 2 . 1 1 40 40 SER CA C 34 61.150 61.150 61.022 0.128 18399
524 1 2 . 1 1 40 40 SER CB C 34 63.578 63.578 63.248 0.330 18399
525 1 2 . 1 1 40 40 SER H H 34 8.054 8.054 7.812 0.242 18399
526 1 2 . 1 1 41 41 GLU N N 35 116.449 116.449 119.900 -3.451 18399
527 1 2 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.384 -0.017 18399
528 1 2 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.405 -1.349 18399
529 1 2 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.206 0.339 18399
530 1 2 . 1 1 41 41 GLU H H 35 8.908 8.908 7.784 1.124 18399
531 1 2 . 1 1 42 42 GLY N N 36 108.168 108.168 108.838 -0.670 18399
532 1 2 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.071 0.353 18399
533 1 2 . 1 1 42 42 GLY H H 36 7.930 7.930 8.049 -0.119 18399
534 1 2 . 1 1 43 43 ILE N N 37 120.326 120.326 116.843 3.483 18399
535 1 2 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.526 -0.796 18399
536 1 2 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.346 1.873 18399
537 1 2 . 1 1 43 43 ILE H H 37 6.446 6.446 7.239 -0.793 18399
538 1 2 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.619 -0.443 18399
539 1 2 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.585 0.433 18399
540 1 2 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.677 -0.518 18399
541 1 2 . 1 1 45 45 GLY N N 39 111.710 111.710 110.324 1.386 18399
542 1 2 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.818 0.788 18399
543 1 2 . 1 1 45 45 GLY H H 39 9.228 9.228 8.777 0.451 18399
544 1 2 . 1 1 46 46 ASN N N 40 114.967 114.967 113.809 1.158 18399
545 1 2 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.711 -0.199 18399
546 1 2 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.544 0.929 18399
547 1 2 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.557 -2.047 18399
548 1 2 . 1 1 46 46 ASN H H 40 8.325 8.325 7.910 0.415 18399
549 1 2 . 1 1 47 47 MET N N 41 118.446 118.446 118.772 -0.326 18399
550 1 2 . 1 1 47 47 MET HA H 41 4.557 4.557 4.537 0.020 18399
551 1 2 . 1 1 47 47 MET CA C 41 54.886 54.886 56.192 -1.306 18399
552 1 2 . 1 1 47 47 MET CB C 41 32.632 32.632 33.959 -1.327 18399
553 1 2 . 1 1 47 47 MET H H 41 8.247 8.247 7.914 0.333 18399
554 1 2 . 1 1 48 48 ILE N N 42 119.569 119.569 116.218 3.351 18399
555 1 2 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.796 0.300 18399
556 1 2 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.767 0.982 18399
557 1 2 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.738 4.698 18399
558 1 2 . 1 1 48 48 ILE H H 42 7.422 7.422 7.920 -0.498 18399
559 1 2 . 1 1 49 49 ARG N N 43 127.179 127.179 121.524 5.655 18399
560 1 2 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.559 0.021 18399
561 1 2 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.503 -0.541 18399
562 1 2 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.916 -1.887 18399
563 1 2 . 1 1 49 49 ARG H H 43 8.967 8.967 7.965 1.002 18399
564 1 2 . 1 1 50 50 LEU N N 44 122.639 122.639 121.923 0.716 18399
565 1 2 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.068 0.339 18399
566 1 2 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.127 -0.432 18399
567 1 2 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.928 2.728 18399
568 1 2 . 1 1 50 50 LEU H H 44 8.603 8.603 8.421 0.182 18399
569 1 2 . 1 1 51 51 VAL N N 45 121.931 121.931 118.803 3.128 18399
570 1 2 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.804 -0.096 18399
571 1 2 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.150 -0.567 18399
572 1 2 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.344 1.257 18399
573 1 2 . 1 1 51 51 VAL H H 45 8.960 8.960 8.507 0.453 18399
574 1 2 . 1 1 52 52 TYR N N 46 126.384 126.384 128.579 -2.195 18399
575 1 2 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.788 0.301 18399
576 1 2 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.177 -0.102 18399
577 1 2 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.916 1.753 18399
578 1 2 . 1 1 52 52 TYR H H 46 8.879 8.879 8.910 -0.031 18399
579 1 2 . 1 1 53 53 GLN N N 47 127.041 127.041 128.158 -1.117 18399
580 1 2 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.975 -0.319 18399
581 1 2 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.784 -0.510 18399
582 1 2 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.771 -2.330 18399
583 1 2 . 1 1 53 53 GLN H H 47 9.323 9.323 9.524 -0.201 18399
584 1 2 . 1 1 54 54 GLY N N 48 102.991 102.991 102.567 0.424 18399
585 1 2 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.334 0.040 18399
586 1 2 . 1 1 54 54 GLY H H 48 8.358 8.358 8.648 -0.290 18399
587 1 2 . 1 1 55 55 LYS N N 49 121.595 121.595 121.174 0.421 18399
588 1 2 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.676 -0.059 18399
589 1 2 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.591 -0.251 18399
590 1 2 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.485 -0.284 18399
591 1 2 . 1 1 55 55 LYS H H 49 7.819 7.819 8.001 -0.182 18399
592 1 2 . 1 1 56 56 GLN N N 50 122.484 122.484 119.734 2.750 18399
593 1 2 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.703 -0.118 18399
594 1 2 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.623 1.155 18399
595 1 2 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.888 -2.187 18399
596 1 2 . 1 1 56 56 GLN H H 50 8.757 8.757 8.446 0.311 18399
597 1 2 . 1 1 57 57 LEU N N 51 125.130 125.130 119.727 5.403 18399
598 1 2 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.985 0.315 18399
599 1 2 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.216 -1.077 18399
600 1 2 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.299 0.926 18399
601 1 2 . 1 1 57 57 LEU H H 51 8.442 8.442 8.902 -0.460 18399
602 1 2 . 1 1 58 58 GLU N N 52 122.551 122.551 121.306 1.245 18399
603 1 2 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.496 -0.037 18399
604 1 2 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.601 -0.491 18399
605 1 2 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.222 0.824 18399
606 1 2 . 1 1 58 58 GLU H H 52 8.125 8.125 8.811 -0.686 18399
607 1 2 . 1 1 59 59 ASP N N 53 122.235 122.235 121.951 0.284 18399
608 1 2 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.377 -0.232 18399
609 1 2 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.713 -0.014 18399
610 1 2 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.871 0.140 18399
611 1 2 . 1 1 59 59 ASP H H 53 8.346 8.346 8.627 -0.281 18399
612 1 2 . 1 1 60 60 GLU N N 54 113.128 113.128 116.898 -3.770 18399
613 1 2 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.148 0.167 18399
614 1 2 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.391 -1.055 18399
615 1 2 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.534 -0.492 18399
616 1 2 . 1 1 60 60 GLU H H 54 8.756 8.756 8.556 0.200 18399
617 1 2 . 1 1 61 61 LYS N N 55 119.869 119.869 119.538 0.331 18399
618 1 2 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.426 -0.175 18399
619 1 2 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.569 1.388 18399
620 1 2 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.458 1.486 18399
621 1 2 . 1 1 61 61 LYS H H 55 7.677 7.677 7.729 -0.052 18399
622 1 2 . 1 1 62 62 ARG N N 56 117.724 117.724 120.224 -2.500 18399
623 1 2 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.182 0.542 18399
624 1 2 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.731 2.389 18399
625 1 2 . 1 1 62 62 ARG H H 56 8.797 8.797 7.682 1.115 18399
626 1 2 . 1 1 63 63 LEU N N 57 123.223 123.223 121.743 1.480 18399
627 1 2 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.227 -0.189 18399
628 1 2 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.336 2.088 18399
629 1 2 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.701 -1.303 18399
630 1 2 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399
631 1 2 . 1 1 64 64 LYS N N 58 114.073 114.073 118.496 -4.423 18399
632 1 2 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.000 0.409 18399
633 1 2 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.077 -1.243 18399
634 1 2 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.600 -0.476 18399
635 1 2 . 1 1 64 64 LYS H H 58 8.681 8.681 8.273 0.408 18399
636 1 2 . 1 1 65 65 ASP N N 59 120.640 120.640 118.702 1.938 18399
637 1 2 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.538 -0.119 18399
638 1 2 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.729 0.777 18399
639 1 2 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.982 -0.934 18399
640 1 2 . 1 1 65 65 ASP H H 59 7.862 7.862 8.082 -0.220 18399
641 1 2 . 1 1 66 66 TYR N N 60 117.775 117.775 119.828 -2.053 18399
642 1 2 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.220 0.396 18399
643 1 2 . 1 1 66 66 TYR CA C 60 58.150 58.150 61.015 -2.865 18399
644 1 2 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.239 0.090 18399
645 1 2 . 1 1 66 66 TYR H H 60 7.545 7.545 7.973 -0.428 18399
646 1 2 . 1 1 67 67 GLN N N 61 117.450 117.450 116.898 0.552 18399
647 1 2 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.123 0.060 18399
648 1 2 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.276 -0.659 18399
649 1 2 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.408 -1.830 18399
650 1 2 . 1 1 67 67 GLN H H 61 8.155 8.155 8.013 0.142 18399
651 1 2 . 1 1 68 68 MET N N 62 120.193 120.193 118.029 2.164 18399
652 1 2 . 1 1 68 68 MET HA H 62 4.470 4.470 4.404 0.066 18399
653 1 2 . 1 1 68 68 MET CA C 62 55.767 55.767 55.947 -0.180 18399
654 1 2 . 1 1 68 68 MET CB C 62 33.105 33.105 32.579 0.526 18399
655 1 2 . 1 1 68 68 MET H H 62 7.997 7.997 7.392 0.605 18399
656 1 2 . 1 1 69 69 SER N N 63 116.722 116.722 111.726 4.996 18399
657 1 2 . 1 1 69 69 SER HA H 63 4.530 4.530 4.193 0.337 18399
658 1 2 . 1 1 69 69 SER CA C 63 57.654 57.654 59.501 -1.847 18399
659 1 2 . 1 1 69 69 SER CB C 63 64.803 64.803 62.010 2.793 18399
660 1 2 . 1 1 69 69 SER H H 63 8.073 8.073 8.575 -0.502 18399
661 1 2 . 1 1 70 70 ALA N N 64 123.286 123.286 119.316 3.970 18399
662 1 2 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.503 -0.247 18399
663 1 2 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.247 1.319 18399
664 1 2 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.523 -1.281 18399
665 1 2 . 1 1 70 70 ALA H H 64 8.492 8.492 7.946 0.546 18399
666 1 2 . 1 1 71 71 GLY N N 65 110.294 110.294 108.117 2.177 18399
667 1 2 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.602 0.524 18399
668 1 2 . 1 1 71 71 GLY H H 65 8.907 8.907 8.049 0.858 18399
669 1 2 . 1 1 72 72 ALA N N 66 123.229 123.229 129.234 -6.005 18399
670 1 2 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.223 0.066 18399
671 1 2 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.263 0.613 18399
672 1 2 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.459 0.367 18399
673 1 2 . 1 1 72 72 ALA H H 66 7.572 7.572 8.717 -1.145 18399
674 1 2 . 1 1 73 73 THR N N 67 116.161 116.161 114.763 1.398 18399
675 1 2 . 1 1 73 73 THR HA H 67 5.060 5.060 4.397 0.663 18399
676 1 2 . 1 1 73 73 THR CA C 67 61.493 61.493 60.266 1.227 18399
677 1 2 . 1 1 73 73 THR CB C 67 71.022 71.022 71.186 -0.164 18399
678 1 2 . 1 1 73 73 THR H H 67 8.253 8.253 8.686 -0.433 18399
679 1 2 . 1 1 74 74 PHE N N 68 124.518 124.518 126.149 -1.631 18399
680 1 2 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.210 0.159 18399
681 1 2 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.957 -1.944 18399
682 1 2 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.306 -0.413 18399
683 1 2 . 1 1 74 74 PHE H H 68 8.989 8.989 8.449 0.540 18399
684 1 2 . 1 1 75 75 HIS N N 69 120.835 120.835 126.654 -5.819 18399
685 1 2 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.738 0.408 18399
686 1 2 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.615 1.516 18399
687 1 2 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.106 -0.522 18399
688 1 2 . 1 1 75 75 HIS H H 69 9.300 9.300 8.806 0.494 18399
689 1 2 . 1 1 76 76 MET N N 70 122.731 122.731 123.193 -0.462 18399
690 1 2 . 1 1 76 76 MET HA H 70 5.199 5.199 4.496 0.703 18399
691 1 2 . 1 1 76 76 MET CA C 70 54.683 54.683 54.509 0.174 18399
692 1 2 . 1 1 76 76 MET CB C 70 35.426 35.426 35.375 0.051 18399
693 1 2 . 1 1 76 76 MET H H 70 8.563 8.563 8.389 0.174 18399
694 1 2 . 1 1 77 77 VAL N N 71 128.801 128.801 125.942 2.859 18399
695 1 2 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.343 -0.066 18399
696 1 2 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.389 0.954 18399
697 1 2 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.725 0.931 18399
698 1 2 . 1 1 77 77 VAL H H 71 9.118 9.118 8.445 0.673 18399
699 1 2 . 1 1 78 78 VAL N N 72 125.528 125.528 129.360 -3.832 18399
700 1 2 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.311 0.307 18399
701 1 2 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.829 0.656 18399
702 1 2 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.230 0.081 18399
703 1 2 . 1 1 78 78 VAL H H 72 8.544 8.544 8.322 0.222 18399
704 1 2 . 1 1 79 79 ALA N N 73 131.664 131.664 131.447 0.217 18399
705 1 2 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.640 -0.317 18399
706 1 2 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.812 0.934 18399
707 1 2 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.365 0.080 18399
708 1 2 . 1 1 79 79 ALA H H 73 8.957 8.957 8.314 0.643 18399
709 1 2 . 1 1 80 80 LEU N N 74 120.722 120.722 122.426 -1.704 18399
710 1 2 . 1 1 80 80 LEU HA H 74 4.279 4.279 3.961 0.318 18399
711 1 2 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.436 -0.245 18399
712 1 2 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.227 1.129 18399
713 1 2 . 1 1 80 80 LEU H H 74 8.193 8.193 8.619 -0.426 18399
714 1 2 . 1 1 81 81 ARG N N 75 121.022 121.022 121.014 0.008 18399
715 1 2 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.385 -0.091 18399
716 1 2 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.724 -0.120 18399
717 1 2 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.192 -0.336 18399
718 1 2 . 1 1 81 81 ARG H H 75 8.207 8.207 8.121 0.086 18399
719 1 2 . 1 1 82 82 ALA N N 76 125.815 125.815 121.409 4.406 18399
720 1 2 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.157 0.121 18399
721 1 2 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.214 0.264 18399
722 1 2 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.525 0.288 18399
723 1 2 . 1 1 82 82 ALA H H 76 8.471 8.471 7.915 0.556 18399
724 1 2 . 1 1 83 83 GLY N N 77 109.110 109.110 106.247 2.863 18399
725 1 2 . 1 1 83 83 GLY CA C 77 45.336 45.336 46.839 -1.503 18399
726 1 2 . 1 1 83 83 GLY H H 77 8.506 8.506 9.772 -1.266 18399
727 1 3 . 1 1 8 8 LEU N N 2 125.142 125.142 121.482 3.660 18399
728 1 3 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.961 -0.487 18399
729 1 3 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.075 1.200 18399
730 1 3 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.329 -1.427 18399
731 1 3 . 1 1 8 8 LEU H H 2 8.251 8.251 7.742 0.510 18399
732 1 3 . 1 1 9 9 LEU N N 3 126.326 126.326 121.889 4.437 18399
733 1 3 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399
734 1 3 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.320 -0.277 18399
735 1 3 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.033 -1.525 18399
736 1 3 . 1 1 9 9 LEU H H 3 8.307 8.307 7.920 0.387 18399
737 1 3 . 1 1 10 10 LYS N N 4 121.349 121.349 123.700 -2.351 18399
738 1 3 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.097 -0.017 18399
739 1 3 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.681 -0.049 18399
740 1 3 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.945 0.480 18399
741 1 3 . 1 1 10 10 LYS H H 4 8.428 8.428 8.566 -0.138 18399
742 1 3 . 1 1 11 11 VAL N N 5 122.408 122.408 123.174 -0.766 18399
743 1 3 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.816 -0.128 18399
744 1 3 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.392 0.934 18399
745 1 3 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.361 1.468 18399
746 1 3 . 1 1 11 11 VAL H H 5 9.088 9.088 8.359 0.729 18399
747 1 3 . 1 1 12 12 LYS N N 6 127.778 127.778 124.965 2.813 18399
748 1 3 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.078 0.274 18399
749 1 3 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.575 1.100 18399
750 1 3 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.584 -0.400 18399
751 1 3 . 1 1 12 12 LYS H H 6 9.029 9.029 8.370 0.659 18399
752 1 3 . 1 1 13 13 THR N N 7 116.723 116.723 114.588 2.135 18399
753 1 3 . 1 1 13 13 THR HA H 7 4.860 4.860 4.648 0.212 18399
754 1 3 . 1 1 13 13 THR CA C 7 60.392 60.392 59.819 0.573 18399
755 1 3 . 1 1 13 13 THR CB C 7 71.189 71.189 70.934 0.255 18399
756 1 3 . 1 1 13 13 THR H H 7 8.790 8.790 8.309 0.481 18399
757 1 3 . 1 1 14 14 VAL N N 8 119.340 119.340 120.303 -0.963 18399
758 1 3 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.230 -0.127 18399
759 1 3 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.031 0.681 18399
760 1 3 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.202 -0.042 18399
761 1 3 . 1 1 14 14 VAL H H 8 8.872 8.872 8.741 0.131 18399
762 1 3 . 1 1 15 15 SER N N 9 114.630 114.630 114.467 0.163 18399
763 1 3 . 1 1 15 15 SER HA H 9 4.513 4.513 4.564 -0.051 18399
764 1 3 . 1 1 15 15 SER CA C 9 57.913 57.913 58.372 -0.459 18399
765 1 3 . 1 1 15 15 SER CB C 9 63.243 63.243 63.376 -0.133 18399
766 1 3 . 1 1 15 15 SER H H 9 7.859 7.859 7.554 0.305 18399
767 1 3 . 1 1 16 16 ASN N N 10 115.509 115.509 117.475 -1.966 18399
768 1 3 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.357 -0.165 18399
769 1 3 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.687 0.274 18399
770 1 3 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.779 -1.484 18399
771 1 3 . 1 1 16 16 ASN H H 10 8.229 8.229 7.850 0.379 18399
772 1 3 . 1 1 17 17 LYS N N 11 120.345 120.345 119.368 0.977 18399
773 1 3 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.450 -0.195 18399
774 1 3 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.128 1.219 18399
775 1 3 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.985 -0.049 18399
776 1 3 . 1 1 17 17 LYS H H 11 7.315 7.315 7.486 -0.171 18399
777 1 3 . 1 1 18 18 VAL N N 12 125.270 125.270 125.360 -0.090 18399
778 1 3 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.429 0.208 18399
779 1 3 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.435 0.314 18399
780 1 3 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.873 -0.681 18399
781 1 3 . 1 1 18 18 VAL H H 12 8.576 8.576 8.183 0.393 18399
782 1 3 . 1 1 19 19 ILE N N 13 130.928 130.928 127.874 3.054 18399
783 1 3 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.409 -0.256 18399
784 1 3 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.275 1.170 18399
785 1 3 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.524 0.671 18399
786 1 3 . 1 1 19 19 ILE H H 13 9.486 9.486 8.727 0.759 18399
787 1 3 . 1 1 20 20 GLN N N 14 124.762 124.762 126.768 -2.006 18399
788 1 3 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.787 0.275 18399
789 1 3 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.824 -0.029 18399
790 1 3 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.190 0.411 18399
791 1 3 . 1 1 20 20 GLN H H 14 8.803 8.803 8.458 0.345 18399
792 1 3 . 1 1 21 21 ILE N N 15 126.010 126.010 119.845 6.165 18399
793 1 3 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.629 -0.116 18399
794 1 3 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.559 0.080 18399
795 1 3 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.949 -1.778 18399
796 1 3 . 1 1 21 21 ILE H H 15 9.076 9.076 8.050 1.026 18399
797 1 3 . 1 1 22 22 THR N N 16 118.074 118.074 118.122 -0.048 18399
798 1 3 . 1 1 22 22 THR HA H 16 4.904 4.904 4.472 0.432 18399
799 1 3 . 1 1 22 22 THR CA C 16 61.462 61.462 61.459 0.003 18399
800 1 3 . 1 1 22 22 THR CB C 16 69.657 69.657 68.236 1.421 18399
801 1 3 . 1 1 22 22 THR H H 16 9.047 9.047 8.510 0.537 18399
802 1 3 . 1 1 23 23 SER N N 17 113.130 113.130 116.031 -2.901 18399
803 1 3 . 1 1 23 23 SER HA H 17 4.440 4.440 4.594 -0.154 18399
804 1 3 . 1 1 23 23 SER CA C 17 58.002 58.002 58.199 -0.197 18399
805 1 3 . 1 1 23 23 SER CB C 17 64.268 64.268 63.808 0.460 18399
806 1 3 . 1 1 23 23 SER H H 17 7.330 7.330 7.785 -0.455 18399
807 1 3 . 1 1 24 24 LEU N N 18 123.241 123.241 125.852 -2.611 18399
808 1 3 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.642 0.097 18399
809 1 3 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.011 -0.153 18399
810 1 3 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.476 -1.986 18399
811 1 3 . 1 1 24 24 LEU H H 18 8.728 8.728 8.182 0.546 18399
812 1 3 . 1 1 25 25 THR N N 19 111.915 111.915 115.396 -3.481 18399
813 1 3 . 1 1 25 25 THR HA H 19 4.816 4.816 4.247 0.569 18399
814 1 3 . 1 1 25 25 THR CA C 19 59.575 59.575 61.405 -1.830 18399
815 1 3 . 1 1 25 25 THR CB C 19 72.043 72.043 70.234 1.809 18399
816 1 3 . 1 1 25 25 THR H H 19 9.363 9.363 8.375 0.988 18399
817 1 3 . 1 1 26 26 ASP N N 20 117.183 117.183 116.938 0.245 18399
818 1 3 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.513 -0.180 18399
819 1 3 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.471 2.258 18399
820 1 3 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.243 -1.861 18399
821 1 3 . 1 1 26 26 ASP H H 20 8.785 8.785 8.272 0.513 18399
822 1 3 . 1 1 27 27 ASP N N 21 116.327 116.327 119.477 -3.150 18399
823 1 3 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.635 0.039 18399
824 1 3 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.807 -2.037 18399
825 1 3 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.300 -0.006 18399
826 1 3 . 1 1 27 27 ASP H H 21 7.775 7.775 8.312 -0.537 18399
827 1 3 . 1 1 28 28 ASN N N 22 117.269 117.269 113.308 3.961 18399
828 1 3 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.843 0.049 18399
829 1 3 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.164 1.646 18399
830 1 3 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.733 0.367 18399
831 1 3 . 1 1 28 28 ASN H H 22 7.829 7.829 8.474 -0.645 18399
832 1 3 . 1 1 29 29 THR N N 23 108.639 108.639 114.714 -6.075 18399
833 1 3 . 1 1 29 29 THR HA H 23 5.206 5.206 3.851 1.355 18399
834 1 3 . 1 1 29 29 THR CA C 23 59.830 59.830 65.898 -6.068 18399
835 1 3 . 1 1 29 29 THR CB C 23 72.396 72.396 67.607 4.789 18399
836 1 3 . 1 1 29 29 THR H H 23 9.145 9.145 8.238 0.907 18399
837 1 3 . 1 1 30 30 ILE N N 24 120.336 120.336 122.421 -2.085 18399
838 1 3 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.882 -0.196 18399
839 1 3 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.933 -3.353 18399
840 1 3 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.782 -4.438 18399
841 1 3 . 1 1 30 30 ILE H H 24 8.477 8.477 8.136 0.341 18399
842 1 3 . 1 1 31 31 ALA N N 25 123.489 123.489 122.721 0.768 18399
843 1 3 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.227 -0.356 18399
844 1 3 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.306 0.650 18399
845 1 3 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.168 -0.008 18399
846 1 3 . 1 1 31 31 ALA H H 25 8.951 8.951 7.715 1.236 18399
847 1 3 . 1 1 32 32 GLU N N 26 120.101 120.101 119.400 0.701 18399
848 1 3 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.162 -0.147 18399
849 1 3 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.292 0.059 18399
850 1 3 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.292 -0.570 18399
851 1 3 . 1 1 32 32 GLU H H 26 7.988 7.988 8.517 -0.529 18399
852 1 3 . 1 1 33 33 LEU N N 27 124.025 124.025 120.371 3.654 18399
853 1 3 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.094 -0.061 18399
854 1 3 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.644 1.018 18399
855 1 3 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.660 -1.503 18399
856 1 3 . 1 1 33 33 LEU H H 27 8.083 8.083 7.567 0.516 18399
857 1 3 . 1 1 34 34 LYS N N 28 119.471 119.471 118.739 0.732 18399
858 1 3 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.140 -0.341 18399
859 1 3 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.747 1.763 18399
860 1 3 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.842 0.006 18399
861 1 3 . 1 1 34 34 LYS H H 28 8.746 8.746 8.690 0.056 18399
862 1 3 . 1 1 35 35 GLY N N 29 106.034 106.034 107.925 -1.891 18399
863 1 3 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.896 0.146 18399
864 1 3 . 1 1 35 35 GLY H H 29 8.096 8.096 8.441 -0.345 18399
865 1 3 . 1 1 36 36 LYS N N 30 121.196 121.196 122.045 -0.849 18399
866 1 3 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.135 0.102 18399
867 1 3 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.454 -1.112 18399
868 1 3 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.304 -1.771 18399
869 1 3 . 1 1 36 36 LYS H H 30 7.704 7.704 7.836 -0.132 18399
870 1 3 . 1 1 37 37 LEU N N 31 121.657 121.657 120.750 0.907 18399
871 1 3 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.996 0.299 18399
872 1 3 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.312 -1.030 18399
873 1 3 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.166 0.026 18399
874 1 3 . 1 1 37 37 LEU H H 31 7.948 7.948 7.906 0.042 18399
875 1 3 . 1 1 38 38 GLU N N 32 123.295 123.295 118.541 4.754 18399
876 1 3 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.977 0.377 18399
877 1 3 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.864 0.440 18399
878 1 3 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.062 0.277 18399
879 1 3 . 1 1 38 38 GLU H H 32 8.714 8.714 8.070 0.644 18399
880 1 3 . 1 1 39 39 GLU N N 33 118.296 118.296 119.747 -1.451 18399
881 1 3 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.087 -0.101 18399
882 1 3 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.904 0.238 18399
883 1 3 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.504 0.098 18399
884 1 3 . 1 1 39 39 GLU H H 33 7.470 7.470 7.999 -0.529 18399
885 1 3 . 1 1 40 40 SER N N 34 112.266 112.266 114.413 -2.147 18399
886 1 3 . 1 1 40 40 SER CA C 34 61.150 61.150 61.015 0.135 18399
887 1 3 . 1 1 40 40 SER CB C 34 63.578 63.578 63.279 0.299 18399
888 1 3 . 1 1 40 40 SER H H 34 8.054 8.054 7.745 0.309 18399
889 1 3 . 1 1 41 41 GLU N N 35 116.449 116.449 118.384 -1.935 18399
890 1 3 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.380 -0.013 18399
891 1 3 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.522 -1.466 18399
892 1 3 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.390 0.154 18399
893 1 3 . 1 1 41 41 GLU H H 35 8.908 8.908 7.773 1.135 18399
894 1 3 . 1 1 42 42 GLY N N 36 108.168 108.168 108.809 -0.641 18399
895 1 3 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.100 0.324 18399
896 1 3 . 1 1 42 42 GLY H H 36 7.930 7.930 8.032 -0.102 18399
897 1 3 . 1 1 43 43 ILE N N 37 120.326 120.326 117.356 2.970 18399
898 1 3 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.573 -0.843 18399
899 1 3 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.823 1.396 18399
900 1 3 . 1 1 43 43 ILE H H 37 6.446 6.446 7.322 -0.876 18399
901 1 3 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.627 -0.451 18399
902 1 3 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.559 0.459 18399
903 1 3 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.754 -0.595 18399
904 1 3 . 1 1 45 45 GLY N N 39 111.710 111.710 110.438 1.272 18399
905 1 3 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.736 0.870 18399
906 1 3 . 1 1 45 45 GLY H H 39 9.228 9.228 8.674 0.554 18399
907 1 3 . 1 1 46 46 ASN N N 40 114.967 114.967 114.793 0.174 18399
908 1 3 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.675 -0.163 18399
909 1 3 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.137 1.336 18399
910 1 3 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.124 -1.614 18399
911 1 3 . 1 1 46 46 ASN H H 40 8.325 8.325 8.078 0.247 18399
912 1 3 . 1 1 47 47 MET N N 41 118.446 118.446 119.735 -1.289 18399
913 1 3 . 1 1 47 47 MET HA H 41 4.557 4.557 4.494 0.063 18399
914 1 3 . 1 1 47 47 MET CA C 41 54.886 54.886 56.631 -1.745 18399
915 1 3 . 1 1 47 47 MET CB C 41 32.632 32.632 33.726 -1.094 18399
916 1 3 . 1 1 47 47 MET H H 41 8.247 8.247 7.974 0.273 18399
917 1 3 . 1 1 48 48 ILE N N 42 119.569 119.569 117.303 2.266 18399
918 1 3 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.840 0.256 18399
919 1 3 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.733 1.016 18399
920 1 3 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.931 4.505 18399
921 1 3 . 1 1 48 48 ILE H H 42 7.422 7.422 7.902 -0.480 18399
922 1 3 . 1 1 49 49 ARG N N 43 127.179 127.179 120.389 6.790 18399
923 1 3 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.641 -0.061 18399
924 1 3 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.377 -0.415 18399
925 1 3 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.083 -1.054 18399
926 1 3 . 1 1 49 49 ARG H H 43 8.967 8.967 8.001 0.966 18399
927 1 3 . 1 1 50 50 LEU N N 44 122.639 122.639 121.531 1.108 18399
928 1 3 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.284 0.123 18399
929 1 3 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.382 -0.687 18399
930 1 3 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.577 3.078 18399
931 1 3 . 1 1 50 50 LEU H H 44 8.603 8.603 8.511 0.092 18399
932 1 3 . 1 1 51 51 VAL N N 45 121.931 121.931 118.469 3.462 18399
933 1 3 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.857 -0.149 18399
934 1 3 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.048 0.535 18399
935 1 3 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.249 2.352 18399
936 1 3 . 1 1 51 51 VAL H H 45 8.960 8.960 8.538 0.422 18399
937 1 3 . 1 1 52 52 TYR N N 46 126.384 126.384 128.516 -2.132 18399
938 1 3 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.801 0.288 18399
939 1 3 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.323 -0.248 18399
940 1 3 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.830 1.839 18399
941 1 3 . 1 1 52 52 TYR H H 46 8.879 8.879 8.887 -0.008 18399
942 1 3 . 1 1 53 53 GLN N N 47 127.041 127.041 128.234 -1.193 18399
943 1 3 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.004 -0.348 18399
944 1 3 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.586 -0.312 18399
945 1 3 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.568 -2.127 18399
946 1 3 . 1 1 53 53 GLN H H 47 9.323 9.323 9.510 -0.187 18399
947 1 3 . 1 1 54 54 GLY N N 48 102.991 102.991 102.019 0.972 18399
948 1 3 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.329 0.044 18399
949 1 3 . 1 1 54 54 GLY H H 48 8.358 8.358 8.561 -0.203 18399
950 1 3 . 1 1 55 55 LYS N N 49 121.595 121.595 121.309 0.286 18399
951 1 3 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.674 -0.057 18399
952 1 3 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.698 -0.358 18399
953 1 3 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.560 -0.359 18399
954 1 3 . 1 1 55 55 LYS H H 49 7.819 7.819 7.970 -0.151 18399
955 1 3 . 1 1 56 56 GLN N N 50 122.484 122.484 119.484 3.000 18399
956 1 3 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.777 -0.192 18399
957 1 3 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.709 1.069 18399
958 1 3 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.853 -2.152 18399
959 1 3 . 1 1 56 56 GLN H H 50 8.757 8.757 8.460 0.297 18399
960 1 3 . 1 1 57 57 LEU N N 51 125.130 125.130 120.077 5.053 18399
961 1 3 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.970 0.331 18399
962 1 3 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.110 -0.971 18399
963 1 3 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.336 0.889 18399
964 1 3 . 1 1 57 57 LEU H H 51 8.442 8.442 8.797 -0.355 18399
965 1 3 . 1 1 58 58 GLU N N 52 122.551 122.551 120.109 2.442 18399
966 1 3 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.500 -0.041 18399
967 1 3 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.625 -0.515 18399
968 1 3 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.335 0.711 18399
969 1 3 . 1 1 58 58 GLU H H 52 8.125 8.125 8.661 -0.536 18399
970 1 3 . 1 1 59 59 ASP N N 53 122.235 122.235 122.017 0.218 18399
971 1 3 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.386 -0.241 18399
972 1 3 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.926 -0.227 18399
973 1 3 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.851 0.160 18399
974 1 3 . 1 1 59 59 ASP H H 53 8.346 8.346 8.669 -0.323 18399
975 1 3 . 1 1 60 60 GLU N N 54 113.128 113.128 116.778 -3.650 18399
976 1 3 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.181 0.134 18399
977 1 3 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.177 -0.841 18399
978 1 3 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.592 -0.550 18399
979 1 3 . 1 1 60 60 GLU H H 54 8.756 8.756 8.563 0.193 18399
980 1 3 . 1 1 61 61 LYS N N 55 119.869 119.869 119.208 0.661 18399
981 1 3 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.464 -0.213 18399
982 1 3 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.710 1.247 18399
983 1 3 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.595 1.349 18399
984 1 3 . 1 1 61 61 LYS H H 55 7.677 7.677 7.687 -0.010 18399
985 1 3 . 1 1 62 62 ARG N N 56 117.724 117.724 120.199 -2.475 18399
986 1 3 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.175 0.549 18399
987 1 3 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.734 2.386 18399
988 1 3 . 1 1 62 62 ARG H H 56 8.797 8.797 7.675 1.122 18399
989 1 3 . 1 1 63 63 LEU N N 57 123.223 123.223 121.768 1.455 18399
990 1 3 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.229 -0.191 18399
991 1 3 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.399 2.025 18399
992 1 3 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.717 -1.319 18399
993 1 3 . 1 1 63 63 LEU H H 57 8.728 8.728 8.423 0.305 18399
994 1 3 . 1 1 64 64 LYS N N 58 114.073 114.073 118.098 -4.025 18399
995 1 3 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.026 0.383 18399
996 1 3 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.175 -1.341 18399
997 1 3 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.540 -0.416 18399
998 1 3 . 1 1 64 64 LYS H H 58 8.681 8.681 8.346 0.335 18399
999 1 3 . 1 1 65 65 ASP N N 59 120.640 120.640 119.077 1.563 18399
1000 1 3 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.524 -0.105 18399
1001 1 3 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.713 0.793 18399
1002 1 3 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.822 -0.774 18399
1003 1 3 . 1 1 65 65 ASP H H 59 7.862 7.862 8.151 -0.289 18399
1004 1 3 . 1 1 66 66 TYR N N 60 117.775 117.775 119.676 -1.901 18399
1005 1 3 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.276 0.340 18399
1006 1 3 . 1 1 66 66 TYR CA C 60 58.150 58.150 59.933 -1.783 18399
1007 1 3 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.862 0.466 18399
1008 1 3 . 1 1 66 66 TYR H H 60 7.545 7.545 7.988 -0.443 18399
1009 1 3 . 1 1 67 67 GLN N N 61 117.450 117.450 117.304 0.146 18399
1010 1 3 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.997 0.186 18399
1011 1 3 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.009 -0.392 18399
1012 1 3 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.661 -2.083 18399
1013 1 3 . 1 1 67 67 GLN H H 61 8.155 8.155 7.694 0.461 18399
1014 1 3 . 1 1 68 68 MET N N 62 120.193 120.193 118.289 1.904 18399
1015 1 3 . 1 1 68 68 MET HA H 62 4.470 4.470 4.370 0.100 18399
1016 1 3 . 1 1 68 68 MET CA C 62 55.767 55.767 55.791 -0.024 18399
1017 1 3 . 1 1 68 68 MET CB C 62 33.105 33.105 32.693 0.412 18399
1018 1 3 . 1 1 68 68 MET H H 62 7.997 7.997 7.439 0.558 18399
1019 1 3 . 1 1 69 69 SER N N 63 116.722 116.722 111.646 5.076 18399
1020 1 3 . 1 1 69 69 SER HA H 63 4.530 4.530 4.190 0.340 18399
1021 1 3 . 1 1 69 69 SER CA C 63 57.654 57.654 59.928 -2.274 18399
1022 1 3 . 1 1 69 69 SER CB C 63 64.803 64.803 62.158 2.644 18399
1023 1 3 . 1 1 69 69 SER H H 63 8.073 8.073 8.655 -0.582 18399
1024 1 3 . 1 1 70 70 ALA N N 64 123.286 123.286 119.134 4.152 18399
1025 1 3 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.513 -0.257 18399
1026 1 3 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.306 1.260 18399
1027 1 3 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.451 -1.208 18399
1028 1 3 . 1 1 70 70 ALA H H 64 8.492 8.492 7.898 0.594 18399
1029 1 3 . 1 1 71 71 GLY N N 65 110.294 110.294 108.148 2.146 18399
1030 1 3 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.874 0.252 18399
1031 1 3 . 1 1 71 71 GLY H H 65 8.907 8.907 8.014 0.893 18399
1032 1 3 . 1 1 72 72 ALA N N 66 123.229 123.229 128.670 -5.441 18399
1033 1 3 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.144 0.144 18399
1034 1 3 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.242 0.634 18399
1035 1 3 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.422 0.404 18399
1036 1 3 . 1 1 72 72 ALA H H 66 7.572 7.572 8.614 -1.042 18399
1037 1 3 . 1 1 73 73 THR N N 67 116.161 116.161 115.071 1.090 18399
1038 1 3 . 1 1 73 73 THR HA H 67 5.060 5.060 4.369 0.691 18399
1039 1 3 . 1 1 73 73 THR CA C 67 61.493 61.493 60.052 1.441 18399
1040 1 3 . 1 1 73 73 THR CB C 67 71.022 71.022 71.003 0.019 18399
1041 1 3 . 1 1 73 73 THR H H 67 8.253 8.253 8.542 -0.289 18399
1042 1 3 . 1 1 74 74 PHE N N 68 124.518 124.518 125.457 -0.939 18399
1043 1 3 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.082 0.287 18399
1044 1 3 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.249 -2.236 18399
1045 1 3 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.850 -0.957 18399
1046 1 3 . 1 1 74 74 PHE H H 68 8.989 8.989 8.417 0.572 18399
1047 1 3 . 1 1 75 75 HIS N N 69 120.835 120.835 126.169 -5.334 18399
1048 1 3 . 1 1 75 75 HIS HA H 69 5.146 5.146 5.130 0.016 18399
1049 1 3 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.225 0.906 18399
1050 1 3 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.234 -0.650 18399
1051 1 3 . 1 1 75 75 HIS H H 69 9.300 9.300 8.910 0.390 18399
1052 1 3 . 1 1 76 76 MET N N 70 122.731 122.731 122.916 -0.185 18399
1053 1 3 . 1 1 76 76 MET HA H 70 5.199 5.199 4.986 0.213 18399
1054 1 3 . 1 1 76 76 MET CA C 70 54.683 54.683 54.922 -0.239 18399
1055 1 3 . 1 1 76 76 MET CB C 70 35.426 35.426 35.678 -0.252 18399
1056 1 3 . 1 1 76 76 MET H H 70 8.563 8.563 8.617 -0.054 18399
1057 1 3 . 1 1 77 77 VAL N N 71 128.801 128.801 126.849 1.952 18399
1058 1 3 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.342 -0.065 18399
1059 1 3 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.317 0.026 18399
1060 1 3 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.417 1.239 18399
1061 1 3 . 1 1 77 77 VAL H H 71 9.118 9.118 8.518 0.600 18399
1062 1 3 . 1 1 78 78 VAL N N 72 125.528 125.528 128.880 -3.352 18399
1063 1 3 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.288 0.330 18399
1064 1 3 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.288 1.197 18399
1065 1 3 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.447 -0.136 18399
1066 1 3 . 1 1 78 78 VAL H H 72 8.544 8.544 8.388 0.156 18399
1067 1 3 . 1 1 79 79 ALA N N 73 131.664 131.664 131.490 0.174 18399
1068 1 3 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.809 -0.486 18399
1069 1 3 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.959 0.787 18399
1070 1 3 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.051 0.394 18399
1071 1 3 . 1 1 79 79 ALA H H 73 8.957 8.957 8.325 0.632 18399
1072 1 3 . 1 1 80 80 LEU N N 74 120.722 120.722 119.902 0.820 18399
1073 1 3 . 1 1 80 80 LEU HA H 74 4.279 4.279 3.948 0.331 18399
1074 1 3 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.446 -0.255 18399
1075 1 3 . 1 1 80 80 LEU CB C 74 42.356 42.356 40.002 2.353 18399
1076 1 3 . 1 1 80 80 LEU H H 74 8.193 8.193 8.625 -0.432 18399
1077 1 3 . 1 1 81 81 ARG N N 75 121.022 121.022 120.988 0.034 18399
1078 1 3 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.314 -0.020 18399
1079 1 3 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.196 0.409 18399
1080 1 3 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.912 -0.056 18399
1081 1 3 . 1 1 81 81 ARG H H 75 8.207 8.207 7.871 0.336 18399
1082 1 3 . 1 1 82 82 ALA N N 76 125.815 125.815 120.918 4.897 18399
1083 1 3 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.183 0.095 18399
1084 1 3 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.067 0.411 18399
1085 1 3 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.491 0.322 18399
1086 1 3 . 1 1 82 82 ALA H H 76 8.471 8.471 8.356 0.115 18399
1087 1 3 . 1 1 83 83 GLY N N 77 109.110 109.110 105.755 3.355 18399
1088 1 3 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.005 0.330 18399
1089 1 3 . 1 1 83 83 GLY H H 77 8.506 8.506 8.767 -0.261 18399
1090 1 4 . 1 1 8 8 LEU N N 2 125.142 125.142 121.924 3.218 18399
1091 1 4 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.162 -0.688 18399
1092 1 4 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.935 1.340 18399
1093 1 4 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.673 -1.771 18399
1094 1 4 . 1 1 8 8 LEU H H 2 8.251 8.251 7.688 0.563 18399
1095 1 4 . 1 1 9 9 LEU N N 3 126.326 126.326 121.076 5.250 18399
1096 1 4 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.931 -0.135 18399
1097 1 4 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.263 -0.220 18399
1098 1 4 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.124 -1.616 18399
1099 1 4 . 1 1 9 9 LEU H H 3 8.307 8.307 8.266 0.041 18399
1100 1 4 . 1 1 10 10 LYS N N 4 121.349 121.349 123.796 -2.447 18399
1101 1 4 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.957 0.123 18399
1102 1 4 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.575 0.057 18399
1103 1 4 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.937 0.488 18399
1104 1 4 . 1 1 10 10 LYS H H 4 8.428 8.428 8.409 0.019 18399
1105 1 4 . 1 1 11 11 VAL N N 5 122.408 122.408 122.201 0.207 18399
1106 1 4 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.960 -0.272 18399
1107 1 4 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.837 0.489 18399
1108 1 4 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.614 1.216 18399
1109 1 4 . 1 1 11 11 VAL H H 5 9.088 9.088 8.419 0.669 18399
1110 1 4 . 1 1 12 12 LYS N N 6 127.778 127.778 126.384 1.394 18399
1111 1 4 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.308 0.044 18399
1112 1 4 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.917 0.757 18399
1113 1 4 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.321 -1.137 18399
1114 1 4 . 1 1 12 12 LYS H H 6 9.029 9.029 8.565 0.464 18399
1115 1 4 . 1 1 13 13 THR N N 7 116.723 116.723 117.726 -1.003 18399
1116 1 4 . 1 1 13 13 THR HA H 7 4.860 4.860 4.782 0.078 18399
1117 1 4 . 1 1 13 13 THR CA C 7 60.392 60.392 60.542 -0.150 18399
1118 1 4 . 1 1 13 13 THR CB C 7 71.189 71.189 70.182 1.007 18399
1119 1 4 . 1 1 13 13 THR H H 7 8.790 8.790 8.422 0.368 18399
1120 1 4 . 1 1 14 14 VAL N N 8 119.340 119.340 121.246 -1.906 18399
1121 1 4 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.109 -0.006 18399
1122 1 4 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.555 0.157 18399
1123 1 4 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.848 -0.688 18399
1124 1 4 . 1 1 14 14 VAL H H 8 8.872 8.872 8.740 0.132 18399
1125 1 4 . 1 1 15 15 SER N N 9 114.630 114.630 115.562 -0.932 18399
1126 1 4 . 1 1 15 15 SER HA H 9 4.513 4.513 4.444 0.069 18399
1127 1 4 . 1 1 15 15 SER CA C 9 57.913 57.913 58.388 -0.475 18399
1128 1 4 . 1 1 15 15 SER CB C 9 63.243 63.243 62.894 0.349 18399
1129 1 4 . 1 1 15 15 SER H H 9 7.859 7.859 7.939 -0.080 18399
1130 1 4 . 1 1 16 16 ASN N N 10 115.509 115.509 117.644 -2.135 18399
1131 1 4 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.392 -0.200 18399
1132 1 4 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.709 0.252 18399
1133 1 4 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.410 -1.115 18399
1134 1 4 . 1 1 16 16 ASN H H 10 8.229 8.229 8.002 0.227 18399
1135 1 4 . 1 1 17 17 LYS N N 11 120.345 120.345 119.971 0.374 18399
1136 1 4 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.485 -0.230 18399
1137 1 4 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.154 1.193 18399
1138 1 4 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.133 -0.197 18399
1139 1 4 . 1 1 17 17 LYS H H 11 7.315 7.315 7.566 -0.251 18399
1140 1 4 . 1 1 18 18 VAL N N 12 125.270 125.270 125.040 0.230 18399
1141 1 4 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.495 0.142 18399
1142 1 4 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.757 -0.008 18399
1143 1 4 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.870 -0.678 18399
1144 1 4 . 1 1 18 18 VAL H H 12 8.576 8.576 8.331 0.245 18399
1145 1 4 . 1 1 19 19 ILE N N 13 130.928 130.928 128.414 2.514 18399
1146 1 4 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.359 -0.206 18399
1147 1 4 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.782 0.663 18399
1148 1 4 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.983 0.212 18399
1149 1 4 . 1 1 19 19 ILE H H 13 9.486 9.486 8.827 0.659 18399
1150 1 4 . 1 1 20 20 GLN N N 14 124.762 124.762 128.143 -3.381 18399
1151 1 4 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.748 0.314 18399
1152 1 4 . 1 1 20 20 GLN CA C 14 54.795 54.795 55.246 -0.451 18399
1153 1 4 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.606 -0.005 18399
1154 1 4 . 1 1 20 20 GLN H H 14 8.803 8.803 8.567 0.236 18399
1155 1 4 . 1 1 21 21 ILE N N 15 126.010 126.010 123.518 2.492 18399
1156 1 4 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.634 -0.121 18399
1157 1 4 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.400 0.239 18399
1158 1 4 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.499 -1.328 18399
1159 1 4 . 1 1 21 21 ILE H H 15 9.076 9.076 8.189 0.887 18399
1160 1 4 . 1 1 22 22 THR N N 16 118.074 118.074 117.503 0.571 18399
1161 1 4 . 1 1 22 22 THR HA H 16 4.904 4.904 4.598 0.306 18399
1162 1 4 . 1 1 22 22 THR CA C 16 61.462 61.462 61.722 -0.260 18399
1163 1 4 . 1 1 22 22 THR CB C 16 69.657 69.657 68.584 1.073 18399
1164 1 4 . 1 1 22 22 THR H H 16 9.047 9.047 8.457 0.590 18399
1165 1 4 . 1 1 23 23 SER N N 17 113.130 113.130 118.599 -5.469 18399
1166 1 4 . 1 1 23 23 SER HA H 17 4.440 4.440 4.672 -0.232 18399
1167 1 4 . 1 1 23 23 SER CA C 17 58.002 58.002 58.460 -0.458 18399
1168 1 4 . 1 1 23 23 SER CB C 17 64.268 64.268 63.115 1.153 18399
1169 1 4 . 1 1 23 23 SER H H 17 7.330 7.330 8.384 -1.054 18399
1170 1 4 . 1 1 24 24 LEU N N 18 123.241 123.241 124.460 -1.219 18399
1171 1 4 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.821 -0.082 18399
1172 1 4 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.478 0.380 18399
1173 1 4 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.875 -2.385 18399
1174 1 4 . 1 1 24 24 LEU H H 18 8.728 8.728 7.921 0.807 18399
1175 1 4 . 1 1 25 25 THR N N 19 111.915 111.915 115.807 -3.892 18399
1176 1 4 . 1 1 25 25 THR HA H 19 4.816 4.816 4.306 0.510 18399
1177 1 4 . 1 1 25 25 THR CA C 19 59.575 59.575 62.056 -2.481 18399
1178 1 4 . 1 1 25 25 THR CB C 19 72.043 72.043 69.768 2.275 18399
1179 1 4 . 1 1 25 25 THR H H 19 9.363 9.363 8.311 1.052 18399
1180 1 4 . 1 1 26 26 ASP N N 20 117.183 117.183 114.840 2.343 18399
1181 1 4 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.575 -0.242 18399
1182 1 4 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.648 2.081 18399
1183 1 4 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.205 -1.823 18399
1184 1 4 . 1 1 26 26 ASP H H 20 8.785 8.785 8.320 0.465 18399
1185 1 4 . 1 1 27 27 ASP N N 21 116.327 116.327 118.968 -2.641 18399
1186 1 4 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.580 0.094 18399
1187 1 4 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.417 -1.647 18399
1188 1 4 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.176 0.118 18399
1189 1 4 . 1 1 27 27 ASP H H 21 7.775 7.775 8.244 -0.469 18399
1190 1 4 . 1 1 28 28 ASN N N 22 117.269 117.269 114.153 3.116 18399
1191 1 4 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.870 0.022 18399
1192 1 4 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.113 1.697 18399
1193 1 4 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.767 0.334 18399
1194 1 4 . 1 1 28 28 ASN H H 22 7.829 7.829 8.512 -0.683 18399
1195 1 4 . 1 1 29 29 THR N N 23 108.639 108.639 114.689 -6.050 18399
1196 1 4 . 1 1 29 29 THR HA H 23 5.206 5.206 3.854 1.352 18399
1197 1 4 . 1 1 29 29 THR CA C 23 59.830 59.830 66.069 -6.239 18399
1198 1 4 . 1 1 29 29 THR CB C 23 72.396 72.396 67.617 4.779 18399
1199 1 4 . 1 1 29 29 THR H H 23 9.145 9.145 8.217 0.928 18399
1200 1 4 . 1 1 30 30 ILE N N 24 120.336 120.336 122.546 -2.210 18399
1201 1 4 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.829 -0.143 18399
1202 1 4 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.332 -3.752 18399
1203 1 4 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.783 -4.439 18399
1204 1 4 . 1 1 30 30 ILE H H 24 8.477 8.477 8.110 0.367 18399
1205 1 4 . 1 1 31 31 ALA N N 25 123.489 123.489 122.424 1.065 18399
1206 1 4 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.154 -0.283 18399
1207 1 4 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.326 0.630 18399
1208 1 4 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.019 0.141 18399
1209 1 4 . 1 1 31 31 ALA H H 25 8.951 8.951 7.717 1.234 18399
1210 1 4 . 1 1 32 32 GLU N N 26 120.101 120.101 119.146 0.955 18399
1211 1 4 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.156 -0.141 18399
1212 1 4 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.075 0.276 18399
1213 1 4 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.245 -0.523 18399
1214 1 4 . 1 1 32 32 GLU H H 26 7.988 7.988 8.545 -0.557 18399
1215 1 4 . 1 1 33 33 LEU N N 27 124.025 124.025 120.257 3.768 18399
1216 1 4 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.021 0.012 18399
1217 1 4 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.765 0.897 18399
1218 1 4 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.184 -2.027 18399
1219 1 4 . 1 1 33 33 LEU H H 27 8.083 8.083 7.841 0.242 18399
1220 1 4 . 1 1 34 34 LYS N N 28 119.471 119.471 118.509 0.962 18399
1221 1 4 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.146 -0.347 18399
1222 1 4 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.575 1.935 18399
1223 1 4 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.683 0.165 18399
1224 1 4 . 1 1 34 34 LYS H H 28 8.746 8.746 8.642 0.104 18399
1225 1 4 . 1 1 35 35 GLY N N 29 106.034 106.034 107.880 -1.846 18399
1226 1 4 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.898 0.145 18399
1227 1 4 . 1 1 35 35 GLY H H 29 8.096 8.096 8.399 -0.303 18399
1228 1 4 . 1 1 36 36 LYS N N 30 121.196 121.196 122.016 -0.820 18399
1229 1 4 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.143 0.094 18399
1230 1 4 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.446 -1.104 18399
1231 1 4 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.282 -1.749 18399
1232 1 4 . 1 1 36 36 LYS H H 30 7.704 7.704 7.850 -0.146 18399
1233 1 4 . 1 1 37 37 LEU N N 31 121.657 121.657 121.176 0.481 18399
1234 1 4 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.060 0.235 18399
1235 1 4 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.906 -0.624 18399
1236 1 4 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.225 -0.033 18399
1237 1 4 . 1 1 37 37 LEU H H 31 7.948 7.948 7.987 -0.039 18399
1238 1 4 . 1 1 38 38 GLU N N 32 123.295 123.295 118.467 4.828 18399
1239 1 4 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.981 0.373 18399
1240 1 4 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.826 0.478 18399
1241 1 4 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.016 0.323 18399
1242 1 4 . 1 1 38 38 GLU H H 32 8.714 8.714 8.057 0.657 18399
1243 1 4 . 1 1 39 39 GLU N N 33 118.296 118.296 119.929 -1.633 18399
1244 1 4 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.101 -0.115 18399
1245 1 4 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.547 0.595 18399
1246 1 4 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.469 0.133 18399
1247 1 4 . 1 1 39 39 GLU H H 33 7.470 7.470 7.929 -0.459 18399
1248 1 4 . 1 1 40 40 SER N N 34 112.266 112.266 114.567 -2.301 18399
1249 1 4 . 1 1 40 40 SER CA C 34 61.150 61.150 60.972 0.178 18399
1250 1 4 . 1 1 40 40 SER CB C 34 63.578 63.578 63.235 0.343 18399
1251 1 4 . 1 1 40 40 SER H H 34 8.054 8.054 7.831 0.223 18399
1252 1 4 . 1 1 41 41 GLU N N 35 116.449 116.449 119.996 -3.547 18399
1253 1 4 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.336 0.031 18399
1254 1 4 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.501 -1.445 18399
1255 1 4 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.015 0.529 18399
1256 1 4 . 1 1 41 41 GLU H H 35 8.908 8.908 7.783 1.125 18399
1257 1 4 . 1 1 42 42 GLY N N 36 108.168 108.168 108.758 -0.590 18399
1258 1 4 . 1 1 42 42 GLY CA C 36 46.424 46.424 45.909 0.515 18399
1259 1 4 . 1 1 42 42 GLY H H 36 7.930 7.930 7.982 -0.052 18399
1260 1 4 . 1 1 43 43 ILE N N 37 120.326 120.326 116.049 4.277 18399
1261 1 4 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.432 -0.702 18399
1262 1 4 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.387 1.832 18399
1263 1 4 . 1 1 43 43 ILE H H 37 6.446 6.446 7.086 -0.640 18399
1264 1 4 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.614 -0.438 18399
1265 1 4 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.618 0.400 18399
1266 1 4 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.562 -0.403 18399
1267 1 4 . 1 1 45 45 GLY N N 39 111.710 111.710 110.170 1.540 18399
1268 1 4 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.691 0.915 18399
1269 1 4 . 1 1 45 45 GLY H H 39 9.228 9.228 8.677 0.551 18399
1270 1 4 . 1 1 46 46 ASN N N 40 114.967 114.967 114.720 0.247 18399
1271 1 4 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.664 -0.152 18399
1272 1 4 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.543 0.930 18399
1273 1 4 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.155 -1.645 18399
1274 1 4 . 1 1 46 46 ASN H H 40 8.325 8.325 7.972 0.353 18399
1275 1 4 . 1 1 47 47 MET N N 41 118.446 118.446 118.793 -0.347 18399
1276 1 4 . 1 1 47 47 MET HA H 41 4.557 4.557 4.471 0.086 18399
1277 1 4 . 1 1 47 47 MET CA C 41 54.886 54.886 56.417 -1.532 18399
1278 1 4 . 1 1 47 47 MET CB C 41 32.632 32.632 33.648 -1.016 18399
1279 1 4 . 1 1 47 47 MET H H 41 8.247 8.247 7.906 0.341 18399
1280 1 4 . 1 1 48 48 ILE N N 42 119.569 119.569 117.035 2.534 18399
1281 1 4 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.739 0.357 18399
1282 1 4 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.009 0.740 18399
1283 1 4 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.656 3.780 18399
1284 1 4 . 1 1 48 48 ILE H H 42 7.422 7.422 7.849 -0.427 18399
1285 1 4 . 1 1 49 49 ARG N N 43 127.179 127.179 121.553 5.626 18399
1286 1 4 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.599 -0.019 18399
1287 1 4 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.723 -0.761 18399
1288 1 4 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.857 -1.828 18399
1289 1 4 . 1 1 49 49 ARG H H 43 8.967 8.967 7.830 1.137 18399
1290 1 4 . 1 1 50 50 LEU N N 44 122.639 122.639 121.800 0.839 18399
1291 1 4 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.034 0.373 18399
1292 1 4 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.266 -0.571 18399
1293 1 4 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.755 2.900 18399
1294 1 4 . 1 1 50 50 LEU H H 44 8.603 8.603 8.416 0.187 18399
1295 1 4 . 1 1 51 51 VAL N N 45 121.931 121.931 118.412 3.519 18399
1296 1 4 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.819 -0.112 18399
1297 1 4 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.285 0.298 18399
1298 1 4 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.628 1.973 18399
1299 1 4 . 1 1 51 51 VAL H H 45 8.960 8.960 8.494 0.466 18399
1300 1 4 . 1 1 52 52 TYR N N 46 126.384 126.384 128.473 -2.089 18399
1301 1 4 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.771 0.318 18399
1302 1 4 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.553 -0.478 18399
1303 1 4 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.642 2.027 18399
1304 1 4 . 1 1 52 52 TYR H H 46 8.879 8.879 8.878 0.001 18399
1305 1 4 . 1 1 53 53 GLN N N 47 127.041 127.041 128.164 -1.123 18399
1306 1 4 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.997 -0.341 18399
1307 1 4 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.557 -0.283 18399
1308 1 4 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.609 -2.168 18399
1309 1 4 . 1 1 53 53 GLN H H 47 9.323 9.323 9.517 -0.194 18399
1310 1 4 . 1 1 54 54 GLY N N 48 102.991 102.991 101.616 1.375 18399
1311 1 4 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.307 0.066 18399
1312 1 4 . 1 1 54 54 GLY H H 48 8.358 8.358 8.552 -0.194 18399
1313 1 4 . 1 1 55 55 LYS N N 49 121.595 121.595 120.263 1.332 18399
1314 1 4 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.730 -0.113 18399
1315 1 4 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.703 -0.363 18399
1316 1 4 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.767 -0.566 18399
1317 1 4 . 1 1 55 55 LYS H H 49 7.819 7.819 7.938 -0.119 18399
1318 1 4 . 1 1 56 56 GLN N N 50 122.484 122.484 118.521 3.963 18399
1319 1 4 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.786 -0.201 18399
1320 1 4 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.384 1.394 18399
1321 1 4 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.058 -2.357 18399
1322 1 4 . 1 1 56 56 GLN H H 50 8.757 8.757 8.217 0.540 18399
1323 1 4 . 1 1 57 57 LEU N N 51 125.130 125.130 119.114 6.016 18399
1324 1 4 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.945 0.355 18399
1325 1 4 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.156 -1.017 18399
1326 1 4 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.185 1.040 18399
1327 1 4 . 1 1 57 57 LEU H H 51 8.442 8.442 8.814 -0.372 18399
1328 1 4 . 1 1 58 58 GLU N N 52 122.551 122.551 120.689 1.862 18399
1329 1 4 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.405 0.054 18399
1330 1 4 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.617 -0.507 18399
1331 1 4 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.283 0.763 18399
1332 1 4 . 1 1 58 58 GLU H H 52 8.125 8.125 8.726 -0.601 18399
1333 1 4 . 1 1 59 59 ASP N N 53 122.235 122.235 121.540 0.695 18399
1334 1 4 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.338 -0.193 18399
1335 1 4 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.097 -0.398 18399
1336 1 4 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.900 0.111 18399
1337 1 4 . 1 1 59 59 ASP H H 53 8.346 8.346 8.687 -0.341 18399
1338 1 4 . 1 1 60 60 GLU N N 54 113.128 113.128 117.647 -4.519 18399
1339 1 4 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.150 0.165 18399
1340 1 4 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.394 -1.058 18399
1341 1 4 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.591 -0.549 18399
1342 1 4 . 1 1 60 60 GLU H H 54 8.756 8.756 8.529 0.227 18399
1343 1 4 . 1 1 61 61 LYS N N 55 119.869 119.869 119.590 0.279 18399
1344 1 4 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.431 -0.180 18399
1345 1 4 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.582 1.375 18399
1346 1 4 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.435 1.509 18399
1347 1 4 . 1 1 61 61 LYS H H 55 7.677 7.677 7.748 -0.071 18399
1348 1 4 . 1 1 62 62 ARG N N 56 117.724 117.724 120.226 -2.502 18399
1349 1 4 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399
1350 1 4 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.729 2.391 18399
1351 1 4 . 1 1 62 62 ARG H H 56 8.797 8.797 7.679 1.118 18399
1352 1 4 . 1 1 63 63 LEU N N 57 123.223 123.223 121.745 1.478 18399
1353 1 4 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.225 -0.187 18399
1354 1 4 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.363 2.061 18399
1355 1 4 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.715 -1.317 18399
1356 1 4 . 1 1 63 63 LEU H H 57 8.728 8.728 8.421 0.307 18399
1357 1 4 . 1 1 64 64 LYS N N 58 114.073 114.073 118.494 -4.421 18399
1358 1 4 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.998 0.411 18399
1359 1 4 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.083 -1.249 18399
1360 1 4 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.597 -0.473 18399
1361 1 4 . 1 1 64 64 LYS H H 58 8.681 8.681 8.271 0.409 18399
1362 1 4 . 1 1 65 65 ASP N N 59 120.640 120.640 118.521 2.119 18399
1363 1 4 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.580 -0.161 18399
1364 1 4 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.056 0.450 18399
1365 1 4 . 1 1 65 65 ASP CB C 59 40.048 40.048 41.051 -1.003 18399
1366 1 4 . 1 1 65 65 ASP H H 59 7.862 7.862 8.046 -0.184 18399
1367 1 4 . 1 1 66 66 TYR N N 60 117.775 117.775 120.693 -2.918 18399
1368 1 4 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.254 0.362 18399
1369 1 4 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.999 -2.849 18399
1370 1 4 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.899 0.430 18399
1371 1 4 . 1 1 66 66 TYR H H 60 7.545 7.545 8.037 -0.491 18399
1372 1 4 . 1 1 67 67 GLN N N 61 117.450 117.450 117.442 0.008 18399
1373 1 4 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.048 0.135 18399
1374 1 4 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.538 -0.921 18399
1375 1 4 . 1 1 67 67 GLN CB C 61 26.578 26.578 27.926 -1.348 18399
1376 1 4 . 1 1 67 67 GLN H H 61 8.155 8.155 7.904 0.251 18399
1377 1 4 . 1 1 68 68 MET N N 62 120.193 120.193 119.708 0.485 18399
1378 1 4 . 1 1 68 68 MET HA H 62 4.470 4.470 4.355 0.115 18399
1379 1 4 . 1 1 68 68 MET CA C 62 55.767 55.767 55.342 0.425 18399
1380 1 4 . 1 1 68 68 MET CB C 62 33.105 33.105 32.626 0.479 18399
1381 1 4 . 1 1 68 68 MET H H 62 7.997 7.997 7.459 0.538 18399
1382 1 4 . 1 1 69 69 SER N N 63 116.722 116.722 111.607 5.115 18399
1383 1 4 . 1 1 69 69 SER HA H 63 4.530 4.530 4.239 0.291 18399
1384 1 4 . 1 1 69 69 SER CA C 63 57.654 57.654 59.309 -1.655 18399
1385 1 4 . 1 1 69 69 SER CB C 63 64.803 64.803 62.054 2.748 18399
1386 1 4 . 1 1 69 69 SER H H 63 8.073 8.073 8.661 -0.588 18399
1387 1 4 . 1 1 70 70 ALA N N 64 123.286 123.286 119.561 3.725 18399
1388 1 4 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.512 -0.256 18399
1389 1 4 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.225 1.341 18399
1390 1 4 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.697 -1.455 18399
1391 1 4 . 1 1 70 70 ALA H H 64 8.492 8.492 7.959 0.533 18399
1392 1 4 . 1 1 71 71 GLY N N 65 110.294 110.294 108.164 2.130 18399
1393 1 4 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.597 0.530 18399
1394 1 4 . 1 1 71 71 GLY H H 65 8.907 8.907 8.038 0.869 18399
1395 1 4 . 1 1 72 72 ALA N N 66 123.229 123.229 128.948 -5.719 18399
1396 1 4 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.235 0.053 18399
1397 1 4 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.210 0.666 18399
1398 1 4 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.421 0.405 18399
1399 1 4 . 1 1 72 72 ALA H H 66 7.572 7.572 8.662 -1.090 18399
1400 1 4 . 1 1 73 73 THR N N 67 116.161 116.161 115.071 1.090 18399
1401 1 4 . 1 1 73 73 THR HA H 67 5.060 5.060 4.397 0.663 18399
1402 1 4 . 1 1 73 73 THR CA C 67 61.493 61.493 60.123 1.369 18399
1403 1 4 . 1 1 73 73 THR CB C 67 71.022 71.022 71.126 -0.104 18399
1404 1 4 . 1 1 73 73 THR H H 67 8.253 8.253 8.630 -0.377 18399
1405 1 4 . 1 1 74 74 PHE N N 68 124.518 124.518 126.340 -1.822 18399
1406 1 4 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.181 0.188 18399
1407 1 4 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.995 -1.982 18399
1408 1 4 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.608 -0.715 18399
1409 1 4 . 1 1 74 74 PHE H H 68 8.989 8.989 8.335 0.654 18399
1410 1 4 . 1 1 75 75 HIS N N 69 120.835 120.835 127.166 -6.331 18399
1411 1 4 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.775 0.371 18399
1412 1 4 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.092 1.039 18399
1413 1 4 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.350 0.234 18399
1414 1 4 . 1 1 75 75 HIS H H 69 9.300 9.300 8.809 0.491 18399
1415 1 4 . 1 1 76 76 MET N N 70 122.731 122.731 122.592 0.139 18399
1416 1 4 . 1 1 76 76 MET HA H 70 5.199 5.199 4.615 0.584 18399
1417 1 4 . 1 1 76 76 MET CA C 70 54.683 54.683 54.753 -0.070 18399
1418 1 4 . 1 1 76 76 MET CB C 70 35.426 35.426 35.592 -0.166 18399
1419 1 4 . 1 1 76 76 MET H H 70 8.563 8.563 8.277 0.286 18399
1420 1 4 . 1 1 77 77 VAL N N 71 128.801 128.801 127.098 1.703 18399
1421 1 4 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.297 -0.020 18399
1422 1 4 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.980 0.363 18399
1423 1 4 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.211 1.445 18399
1424 1 4 . 1 1 77 77 VAL H H 71 9.118 9.118 8.452 0.666 18399
1425 1 4 . 1 1 78 78 VAL N N 72 125.528 125.528 128.694 -3.166 18399
1426 1 4 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.294 0.324 18399
1427 1 4 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.435 1.050 18399
1428 1 4 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.337 -0.026 18399
1429 1 4 . 1 1 78 78 VAL H H 72 8.544 8.544 8.352 0.192 18399
1430 1 4 . 1 1 79 79 ALA N N 73 131.664 131.664 131.791 -0.127 18399
1431 1 4 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.728 -0.405 18399
1432 1 4 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.712 0.034 18399
1433 1 4 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.493 0.952 18399
1434 1 4 . 1 1 79 79 ALA H H 73 8.957 8.957 8.630 0.327 18399
1435 1 4 . 1 1 80 80 LEU N N 74 120.722 120.722 121.608 -0.886 18399
1436 1 4 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.381 -0.102 18399
1437 1 4 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.250 -0.059 18399
1438 1 4 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.631 -0.275 18399
1439 1 4 . 1 1 80 80 LEU H H 74 8.193 8.193 8.560 -0.367 18399
1440 1 4 . 1 1 81 81 ARG N N 75 121.022 121.022 120.572 0.450 18399
1441 1 4 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.244 0.050 18399
1442 1 4 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.900 -0.296 18399
1443 1 4 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.604 0.253 18399
1444 1 4 . 1 1 81 81 ARG H H 75 8.207 8.207 7.941 0.266 18399
1445 1 4 . 1 1 82 82 ALA N N 76 125.815 125.815 122.539 3.276 18399
1446 1 4 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.231 0.047 18399
1447 1 4 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.081 0.397 18399
1448 1 4 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.446 -0.633 18399
1449 1 4 . 1 1 82 82 ALA H H 76 8.471 8.471 8.274 0.197 18399
1450 1 4 . 1 1 83 83 GLY N N 77 109.110 109.110 106.159 2.951 18399
1451 1 4 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.142 1.194 18399
1452 1 4 . 1 1 83 83 GLY H H 77 8.506 8.506 8.272 0.234 18399
1453 1 5 . 1 1 8 8 LEU N N 2 125.142 125.142 121.193 3.949 18399
1454 1 5 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.986 -0.512 18399
1455 1 5 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.060 1.215 18399
1456 1 5 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.538 -1.636 18399
1457 1 5 . 1 1 8 8 LEU H H 2 8.251 8.251 7.749 0.502 18399
1458 1 5 . 1 1 9 9 LEU N N 3 126.326 126.326 121.548 4.778 18399
1459 1 5 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.933 -0.137 18399
1460 1 5 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.323 -0.280 18399
1461 1 5 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.085 -1.577 18399
1462 1 5 . 1 1 9 9 LEU H H 3 8.307 8.307 7.965 0.342 18399
1463 1 5 . 1 1 10 10 LYS N N 4 121.349 121.349 123.952 -2.603 18399
1464 1 5 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.132 -0.052 18399
1465 1 5 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.468 0.164 18399
1466 1 5 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.084 0.341 18399
1467 1 5 . 1 1 10 10 LYS H H 4 8.428 8.428 8.467 -0.039 18399
1468 1 5 . 1 1 11 11 VAL N N 5 122.408 122.408 122.985 -0.577 18399
1469 1 5 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.773 -0.085 18399
1470 1 5 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.557 0.769 18399
1471 1 5 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.541 1.289 18399
1472 1 5 . 1 1 11 11 VAL H H 5 9.088 9.088 8.489 0.599 18399
1473 1 5 . 1 1 12 12 LYS N N 6 127.778 127.778 124.902 2.876 18399
1474 1 5 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.282 0.070 18399
1475 1 5 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.949 0.726 18399
1476 1 5 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.965 -0.781 18399
1477 1 5 . 1 1 12 12 LYS H H 6 9.029 9.029 8.632 0.397 18399
1478 1 5 . 1 1 13 13 THR N N 7 116.723 116.723 114.144 2.579 18399
1479 1 5 . 1 1 13 13 THR HA H 7 4.860 4.860 4.630 0.230 18399
1480 1 5 . 1 1 13 13 THR CA C 7 60.392 60.392 60.058 0.334 18399
1481 1 5 . 1 1 13 13 THR CB C 7 71.189 71.189 71.120 0.069 18399
1482 1 5 . 1 1 13 13 THR H H 7 8.790 8.790 8.326 0.464 18399
1483 1 5 . 1 1 14 14 VAL N N 8 119.340 119.340 120.118 -0.778 18399
1484 1 5 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.166 -0.063 18399
1485 1 5 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.180 0.532 18399
1486 1 5 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.788 -0.628 18399
1487 1 5 . 1 1 14 14 VAL H H 8 8.872 8.872 8.677 0.195 18399
1488 1 5 . 1 1 15 15 SER N N 9 114.630 114.630 116.124 -1.494 18399
1489 1 5 . 1 1 15 15 SER HA H 9 4.513 4.513 4.490 0.023 18399
1490 1 5 . 1 1 15 15 SER CA C 9 57.913 57.913 58.338 -0.425 18399
1491 1 5 . 1 1 15 15 SER CB C 9 63.243 63.243 63.218 0.025 18399
1492 1 5 . 1 1 15 15 SER H H 9 7.859 7.859 7.678 0.181 18399
1493 1 5 . 1 1 16 16 ASN N N 10 115.509 115.509 117.660 -2.151 18399
1494 1 5 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.357 -0.165 18399
1495 1 5 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.826 0.135 18399
1496 1 5 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.526 -1.231 18399
1497 1 5 . 1 1 16 16 ASN H H 10 8.229 8.229 8.046 0.183 18399
1498 1 5 . 1 1 17 17 LYS N N 11 120.345 120.345 119.608 0.737 18399
1499 1 5 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.516 -0.261 18399
1500 1 5 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.052 1.295 18399
1501 1 5 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.116 -0.180 18399
1502 1 5 . 1 1 17 17 LYS H H 11 7.315 7.315 7.602 -0.287 18399
1503 1 5 . 1 1 18 18 VAL N N 12 125.270 125.270 125.189 0.081 18399
1504 1 5 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.577 0.060 18399
1505 1 5 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.617 0.132 18399
1506 1 5 . 1 1 18 18 VAL CB C 12 32.192 32.192 33.040 -0.848 18399
1507 1 5 . 1 1 18 18 VAL H H 12 8.576 8.576 8.276 0.300 18399
1508 1 5 . 1 1 19 19 ILE N N 13 130.928 130.928 127.478 3.450 18399
1509 1 5 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.419 -0.266 18399
1510 1 5 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.493 0.952 18399
1511 1 5 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.920 0.275 18399
1512 1 5 . 1 1 19 19 ILE H H 13 9.486 9.486 8.785 0.701 18399
1513 1 5 . 1 1 20 20 GLN N N 14 124.762 124.762 126.519 -1.757 18399
1514 1 5 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.840 0.222 18399
1515 1 5 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.608 0.186 18399
1516 1 5 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.402 0.199 18399
1517 1 5 . 1 1 20 20 GLN H H 14 8.803 8.803 8.457 0.346 18399
1518 1 5 . 1 1 21 21 ILE N N 15 126.010 126.010 119.997 6.013 18399
1519 1 5 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.702 -0.189 18399
1520 1 5 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.684 -0.045 18399
1521 1 5 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.762 -1.591 18399
1522 1 5 . 1 1 21 21 ILE H H 15 9.076 9.076 8.066 1.010 18399
1523 1 5 . 1 1 22 22 THR N N 16 118.074 118.074 118.035 0.039 18399
1524 1 5 . 1 1 22 22 THR HA H 16 4.904 4.904 4.465 0.439 18399
1525 1 5 . 1 1 22 22 THR CA C 16 61.462 61.462 61.109 0.353 18399
1526 1 5 . 1 1 22 22 THR CB C 16 69.657 69.657 68.639 1.018 18399
1527 1 5 . 1 1 22 22 THR H H 16 9.047 9.047 8.501 0.546 18399
1528 1 5 . 1 1 23 23 SER N N 17 113.130 113.130 116.686 -3.556 18399
1529 1 5 . 1 1 23 23 SER HA H 17 4.440 4.440 4.625 -0.185 18399
1530 1 5 . 1 1 23 23 SER CA C 17 58.002 58.002 58.398 -0.396 18399
1531 1 5 . 1 1 23 23 SER CB C 17 64.268 64.268 63.736 0.532 18399
1532 1 5 . 1 1 23 23 SER H H 17 7.330 7.330 7.961 -0.631 18399
1533 1 5 . 1 1 24 24 LEU N N 18 123.241 123.241 125.092 -1.851 18399
1534 1 5 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.715 0.024 18399
1535 1 5 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.084 -0.226 18399
1536 1 5 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.604 -2.114 18399
1537 1 5 . 1 1 24 24 LEU H H 18 8.728 8.728 8.088 0.640 18399
1538 1 5 . 1 1 25 25 THR N N 19 111.915 111.915 114.435 -2.520 18399
1539 1 5 . 1 1 25 25 THR HA H 19 4.816 4.816 4.226 0.590 18399
1540 1 5 . 1 1 25 25 THR CA C 19 59.575 59.575 61.557 -1.982 18399
1541 1 5 . 1 1 25 25 THR CB C 19 72.043 72.043 70.287 1.756 18399
1542 1 5 . 1 1 25 25 THR H H 19 9.363 9.363 8.360 1.003 18399
1543 1 5 . 1 1 26 26 ASP N N 20 117.183 117.183 116.595 0.588 18399
1544 1 5 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.554 -0.221 18399
1545 1 5 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.721 2.008 18399
1546 1 5 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.383 -2.001 18399
1547 1 5 . 1 1 26 26 ASP H H 20 8.785 8.785 8.446 0.339 18399
1548 1 5 . 1 1 27 27 ASP N N 21 116.327 116.327 119.824 -3.497 18399
1549 1 5 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.647 0.027 18399
1550 1 5 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.517 -1.747 18399
1551 1 5 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.224 0.070 18399
1552 1 5 . 1 1 27 27 ASP H H 21 7.775 7.775 8.258 -0.483 18399
1553 1 5 . 1 1 28 28 ASN N N 22 117.269 117.269 113.490 3.779 18399
1554 1 5 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.836 0.056 18399
1555 1 5 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.104 1.706 18399
1556 1 5 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.925 0.176 18399
1557 1 5 . 1 1 28 28 ASN H H 22 7.829 7.829 8.473 -0.644 18399
1558 1 5 . 1 1 29 29 THR N N 23 108.639 108.639 114.796 -6.157 18399
1559 1 5 . 1 1 29 29 THR HA H 23 5.206 5.206 3.854 1.352 18399
1560 1 5 . 1 1 29 29 THR CA C 23 59.830 59.830 65.957 -6.127 18399
1561 1 5 . 1 1 29 29 THR CB C 23 72.396 72.396 67.635 4.761 18399
1562 1 5 . 1 1 29 29 THR H H 23 9.145 9.145 8.219 0.926 18399
1563 1 5 . 1 1 30 30 ILE N N 24 120.336 120.336 122.464 -2.128 18399
1564 1 5 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.848 -0.162 18399
1565 1 5 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.138 -3.558 18399
1566 1 5 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.797 -4.453 18399
1567 1 5 . 1 1 30 30 ILE H H 24 8.477 8.477 8.119 0.358 18399
1568 1 5 . 1 1 31 31 ALA N N 25 123.489 123.489 122.483 1.006 18399
1569 1 5 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.151 -0.280 18399
1570 1 5 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.319 0.637 18399
1571 1 5 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.139 0.021 18399
1572 1 5 . 1 1 31 31 ALA H H 25 8.951 8.951 7.697 1.254 18399
1573 1 5 . 1 1 32 32 GLU N N 26 120.101 120.101 119.086 1.015 18399
1574 1 5 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.143 -0.128 18399
1575 1 5 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.098 0.253 18399
1576 1 5 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.235 -0.513 18399
1577 1 5 . 1 1 32 32 GLU H H 26 7.988 7.988 8.544 -0.556 18399
1578 1 5 . 1 1 33 33 LEU N N 27 124.025 124.025 120.297 3.728 18399
1579 1 5 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.007 0.026 18399
1580 1 5 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.865 0.797 18399
1581 1 5 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.197 -2.040 18399
1582 1 5 . 1 1 33 33 LEU H H 27 8.083 8.083 7.662 0.421 18399
1583 1 5 . 1 1 34 34 LYS N N 28 119.471 119.471 118.608 0.863 18399
1584 1 5 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.129 -0.330 18399
1585 1 5 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.652 1.858 18399
1586 1 5 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.657 0.191 18399
1587 1 5 . 1 1 34 34 LYS H H 28 8.746 8.746 8.617 0.129 18399
1588 1 5 . 1 1 35 35 GLY N N 29 106.034 106.034 107.872 -1.838 18399
1589 1 5 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.843 0.199 18399
1590 1 5 . 1 1 35 35 GLY H H 29 8.096 8.096 8.429 -0.333 18399
1591 1 5 . 1 1 36 36 LYS N N 30 121.196 121.196 122.428 -1.232 18399
1592 1 5 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.155 0.082 18399
1593 1 5 . 1 1 36 36 LYS CA C 30 57.342 57.342 59.150 -1.808 18399
1594 1 5 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.419 -1.886 18399
1595 1 5 . 1 1 36 36 LYS H H 30 7.704 7.704 7.782 -0.078 18399
1596 1 5 . 1 1 37 37 LEU N N 31 121.657 121.657 120.736 0.921 18399
1597 1 5 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.999 0.296 18399
1598 1 5 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.181 -0.899 18399
1599 1 5 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.127 0.065 18399
1600 1 5 . 1 1 37 37 LEU H H 31 7.948 7.948 8.111 -0.163 18399
1601 1 5 . 1 1 38 38 GLU N N 32 123.295 123.295 118.927 4.368 18399
1602 1 5 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.010 0.344 18399
1603 1 5 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.823 0.481 18399
1604 1 5 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.744 0.595 18399
1605 1 5 . 1 1 38 38 GLU H H 32 8.714 8.714 8.207 0.507 18399
1606 1 5 . 1 1 39 39 GLU N N 33 118.296 118.296 119.799 -1.503 18399
1607 1 5 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.046 -0.060 18399
1608 1 5 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.553 0.589 18399
1609 1 5 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.629 -0.027 18399
1610 1 5 . 1 1 39 39 GLU H H 33 7.470 7.470 7.855 -0.385 18399
1611 1 5 . 1 1 40 40 SER N N 34 112.266 112.266 114.484 -2.218 18399
1612 1 5 . 1 1 40 40 SER CA C 34 61.150 61.150 61.072 0.078 18399
1613 1 5 . 1 1 40 40 SER CB C 34 63.578 63.578 63.173 0.404 18399
1614 1 5 . 1 1 40 40 SER H H 34 8.054 8.054 7.848 0.206 18399
1615 1 5 . 1 1 41 41 GLU N N 35 116.449 116.449 118.687 -2.238 18399
1616 1 5 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.357 0.010 18399
1617 1 5 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.592 -1.536 18399
1618 1 5 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.350 0.194 18399
1619 1 5 . 1 1 41 41 GLU H H 35 8.908 8.908 7.781 1.127 18399
1620 1 5 . 1 1 42 42 GLY N N 36 108.168 108.168 108.660 -0.492 18399
1621 1 5 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.049 0.375 18399
1622 1 5 . 1 1 42 42 GLY H H 36 7.930 7.930 7.976 -0.046 18399
1623 1 5 . 1 1 43 43 ILE N N 37 120.326 120.326 116.447 3.879 18399
1624 1 5 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.597 -0.867 18399
1625 1 5 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.534 1.685 18399
1626 1 5 . 1 1 43 43 ILE H H 37 6.446 6.446 7.328 -0.882 18399
1627 1 5 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.612 -0.436 18399
1628 1 5 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.566 0.452 18399
1629 1 5 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.731 -0.572 18399
1630 1 5 . 1 1 45 45 GLY N N 39 111.710 111.710 109.363 2.347 18399
1631 1 5 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.610 0.996 18399
1632 1 5 . 1 1 45 45 GLY H H 39 9.228 9.228 8.816 0.412 18399
1633 1 5 . 1 1 46 46 ASN N N 40 114.967 114.967 114.317 0.650 18399
1634 1 5 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.685 -0.173 18399
1635 1 5 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.493 0.980 18399
1636 1 5 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.120 -1.610 18399
1637 1 5 . 1 1 46 46 ASN H H 40 8.325 8.325 7.934 0.391 18399
1638 1 5 . 1 1 47 47 MET N N 41 118.446 118.446 119.651 -1.205 18399
1639 1 5 . 1 1 47 47 MET HA H 41 4.557 4.557 4.482 0.075 18399
1640 1 5 . 1 1 47 47 MET CA C 41 54.886 54.886 56.426 -1.540 18399
1641 1 5 . 1 1 47 47 MET CB C 41 32.632 32.632 33.665 -1.033 18399
1642 1 5 . 1 1 47 47 MET H H 41 8.247 8.247 7.966 0.281 18399
1643 1 5 . 1 1 48 48 ILE N N 42 119.569 119.569 116.944 2.625 18399
1644 1 5 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.760 0.336 18399
1645 1 5 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.542 1.207 18399
1646 1 5 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.909 4.527 18399
1647 1 5 . 1 1 48 48 ILE H H 42 7.422 7.422 7.830 -0.408 18399
1648 1 5 . 1 1 49 49 ARG N N 43 127.179 127.179 120.766 6.413 18399
1649 1 5 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.597 -0.017 18399
1650 1 5 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.019 -0.057 18399
1651 1 5 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.059 -0.030 18399
1652 1 5 . 1 1 49 49 ARG H H 43 8.967 8.967 7.861 1.106 18399
1653 1 5 . 1 1 50 50 LEU N N 44 122.639 122.639 121.829 0.810 18399
1654 1 5 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.144 0.263 18399
1655 1 5 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.328 -0.633 18399
1656 1 5 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.517 3.139 18399
1657 1 5 . 1 1 50 50 LEU H H 44 8.603 8.603 8.408 0.195 18399
1658 1 5 . 1 1 51 51 VAL N N 45 121.931 121.931 118.607 3.324 18399
1659 1 5 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.826 -0.118 18399
1660 1 5 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.551 -0.968 18399
1661 1 5 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.382 1.219 18399
1662 1 5 . 1 1 51 51 VAL H H 45 8.960 8.960 8.300 0.660 18399
1663 1 5 . 1 1 52 52 TYR N N 46 126.384 126.384 128.516 -2.132 18399
1664 1 5 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.873 0.216 18399
1665 1 5 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.231 -0.156 18399
1666 1 5 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.026 1.643 18399
1667 1 5 . 1 1 52 52 TYR H H 46 8.879 8.879 8.908 -0.029 18399
1668 1 5 . 1 1 53 53 GLN N N 47 127.041 127.041 128.179 -1.138 18399
1669 1 5 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.023 -0.367 18399
1670 1 5 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.606 -0.332 18399
1671 1 5 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.506 -2.065 18399
1672 1 5 . 1 1 53 53 GLN H H 47 9.323 9.323 9.512 -0.189 18399
1673 1 5 . 1 1 54 54 GLY N N 48 102.991 102.991 102.158 0.833 18399
1674 1 5 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.175 0.199 18399
1675 1 5 . 1 1 54 54 GLY H H 48 8.358 8.358 8.669 -0.311 18399
1676 1 5 . 1 1 55 55 LYS N N 49 121.595 121.595 120.922 0.673 18399
1677 1 5 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.642 -0.025 18399
1678 1 5 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.285 -0.945 18399
1679 1 5 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.638 -0.437 18399
1680 1 5 . 1 1 55 55 LYS H H 49 7.819 7.819 7.990 -0.171 18399
1681 1 5 . 1 1 56 56 GLN N N 50 122.484 122.484 119.331 3.153 18399
1682 1 5 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.782 -0.197 18399
1683 1 5 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.627 1.151 18399
1684 1 5 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.882 -2.181 18399
1685 1 5 . 1 1 56 56 GLN H H 50 8.757 8.757 8.470 0.287 18399
1686 1 5 . 1 1 57 57 LEU N N 51 125.130 125.130 120.156 4.974 18399
1687 1 5 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.964 0.336 18399
1688 1 5 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.226 -1.087 18399
1689 1 5 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.243 0.982 18399
1690 1 5 . 1 1 57 57 LEU H H 51 8.442 8.442 8.935 -0.493 18399
1691 1 5 . 1 1 58 58 GLU N N 52 122.551 122.551 121.380 1.171 18399
1692 1 5 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.483 -0.024 18399
1693 1 5 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.657 -0.547 18399
1694 1 5 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.224 0.822 18399
1695 1 5 . 1 1 58 58 GLU H H 52 8.125 8.125 8.815 -0.690 18399
1696 1 5 . 1 1 59 59 ASP N N 53 122.235 122.235 122.098 0.137 18399
1697 1 5 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.378 -0.233 18399
1698 1 5 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.898 -0.199 18399
1699 1 5 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.752 0.259 18399
1700 1 5 . 1 1 59 59 ASP H H 53 8.346 8.346 8.733 -0.387 18399
1701 1 5 . 1 1 60 60 GLU N N 54 113.128 113.128 116.490 -3.362 18399
1702 1 5 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.138 0.177 18399
1703 1 5 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.109 -0.773 18399
1704 1 5 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.564 -0.522 18399
1705 1 5 . 1 1 60 60 GLU H H 54 8.756 8.756 8.495 0.261 18399
1706 1 5 . 1 1 61 61 LYS N N 55 119.869 119.869 118.975 0.894 18399
1707 1 5 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.443 -0.192 18399
1708 1 5 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.802 1.155 18399
1709 1 5 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.542 1.402 18399
1710 1 5 . 1 1 61 61 LYS H H 55 7.677 7.677 7.654 0.023 18399
1711 1 5 . 1 1 62 62 ARG N N 56 117.724 117.724 120.189 -2.465 18399
1712 1 5 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.170 0.554 18399
1713 1 5 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.728 2.392 18399
1714 1 5 . 1 1 62 62 ARG H H 56 8.797 8.797 7.665 1.132 18399
1715 1 5 . 1 1 63 63 LEU N N 57 123.223 123.223 121.752 1.471 18399
1716 1 5 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.227 -0.189 18399
1717 1 5 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.393 2.031 18399
1718 1 5 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.718 -1.320 18399
1719 1 5 . 1 1 63 63 LEU H H 57 8.728 8.728 8.417 0.311 18399
1720 1 5 . 1 1 64 64 LYS N N 58 114.073 114.073 118.031 -3.958 18399
1721 1 5 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.030 0.379 18399
1722 1 5 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.156 -1.322 18399
1723 1 5 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.548 -0.424 18399
1724 1 5 . 1 1 64 64 LYS H H 58 8.681 8.681 8.361 0.320 18399
1725 1 5 . 1 1 65 65 ASP N N 59 120.640 120.640 118.945 1.695 18399
1726 1 5 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.514 -0.095 18399
1727 1 5 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.786 0.720 18399
1728 1 5 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.849 -0.801 18399
1729 1 5 . 1 1 65 65 ASP H H 59 7.862 7.862 8.129 -0.267 18399
1730 1 5 . 1 1 66 66 TYR N N 60 117.775 117.775 119.801 -2.026 18399
1731 1 5 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.265 0.351 18399
1732 1 5 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.069 -1.919 18399
1733 1 5 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.949 0.380 18399
1734 1 5 . 1 1 66 66 TYR H H 60 7.545 7.545 8.035 -0.490 18399
1735 1 5 . 1 1 67 67 GLN N N 61 117.450 117.450 117.677 -0.227 18399
1736 1 5 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.972 0.211 18399
1737 1 5 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.267 -0.650 18399
1738 1 5 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.473 -1.895 18399
1739 1 5 . 1 1 67 67 GLN H H 61 8.155 8.155 7.795 0.360 18399
1740 1 5 . 1 1 68 68 MET N N 62 120.193 120.193 118.206 1.987 18399
1741 1 5 . 1 1 68 68 MET HA H 62 4.470 4.470 4.378 0.092 18399
1742 1 5 . 1 1 68 68 MET CA C 62 55.767 55.767 55.835 -0.068 18399
1743 1 5 . 1 1 68 68 MET CB C 62 33.105 33.105 32.627 0.478 18399
1744 1 5 . 1 1 68 68 MET H H 62 7.997 7.997 7.427 0.570 18399
1745 1 5 . 1 1 69 69 SER N N 63 116.722 116.722 112.473 4.249 18399
1746 1 5 . 1 1 69 69 SER HA H 63 4.530 4.530 4.282 0.248 18399
1747 1 5 . 1 1 69 69 SER CA C 63 57.654 57.654 59.904 -2.250 18399
1748 1 5 . 1 1 69 69 SER CB C 63 64.803 64.803 62.085 2.718 18399
1749 1 5 . 1 1 69 69 SER H H 63 8.073 8.073 8.679 -0.606 18399
1750 1 5 . 1 1 70 70 ALA N N 64 123.286 123.286 120.045 3.241 18399
1751 1 5 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.432 -0.176 18399
1752 1 5 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.100 1.466 18399
1753 1 5 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.481 -1.239 18399
1754 1 5 . 1 1 70 70 ALA H H 64 8.492 8.492 8.063 0.429 18399
1755 1 5 . 1 1 71 71 GLY N N 65 110.294 110.294 107.696 2.598 18399
1756 1 5 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.568 0.559 18399
1757 1 5 . 1 1 71 71 GLY H H 65 8.907 8.907 8.128 0.779 18399
1758 1 5 . 1 1 72 72 ALA N N 66 123.229 123.229 128.566 -5.337 18399
1759 1 5 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.173 0.115 18399
1760 1 5 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.299 0.577 18399
1761 1 5 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.482 0.344 18399
1762 1 5 . 1 1 72 72 ALA H H 66 7.572 7.572 8.633 -1.061 18399
1763 1 5 . 1 1 73 73 THR N N 67 116.161 116.161 114.918 1.243 18399
1764 1 5 . 1 1 73 73 THR HA H 67 5.060 5.060 4.405 0.655 18399
1765 1 5 . 1 1 73 73 THR CA C 67 61.493 61.493 60.664 0.829 18399
1766 1 5 . 1 1 73 73 THR CB C 67 71.022 71.022 71.164 -0.142 18399
1767 1 5 . 1 1 73 73 THR H H 67 8.253 8.253 8.599 -0.346 18399
1768 1 5 . 1 1 74 74 PHE N N 68 124.518 124.518 126.173 -1.655 18399
1769 1 5 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.272 0.097 18399
1770 1 5 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.133 -2.120 18399
1771 1 5 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.013 -1.120 18399
1772 1 5 . 1 1 74 74 PHE H H 68 8.989 8.989 8.427 0.562 18399
1773 1 5 . 1 1 75 75 HIS N N 69 120.835 120.835 127.043 -6.208 18399
1774 1 5 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.795 0.351 18399
1775 1 5 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.980 1.151 18399
1776 1 5 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.169 0.415 18399
1777 1 5 . 1 1 75 75 HIS H H 69 9.300 9.300 8.616 0.684 18399
1778 1 5 . 1 1 76 76 MET N N 70 122.731 122.731 122.883 -0.152 18399
1779 1 5 . 1 1 76 76 MET HA H 70 5.199 5.199 4.532 0.667 18399
1780 1 5 . 1 1 76 76 MET CA C 70 54.683 54.683 54.583 0.100 18399
1781 1 5 . 1 1 76 76 MET CB C 70 35.426 35.426 35.904 -0.478 18399
1782 1 5 . 1 1 76 76 MET H H 70 8.563 8.563 8.136 0.427 18399
1783 1 5 . 1 1 77 77 VAL N N 71 128.801 128.801 126.151 2.650 18399
1784 1 5 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.411 -0.134 18399
1785 1 5 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.792 1.550 18399
1786 1 5 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.422 1.234 18399
1787 1 5 . 1 1 77 77 VAL H H 71 9.118 9.118 8.521 0.597 18399
1788 1 5 . 1 1 78 78 VAL N N 72 125.528 125.528 129.599 -4.071 18399
1789 1 5 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.197 0.421 18399
1790 1 5 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.706 -0.221 18399
1791 1 5 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.272 1.039 18399
1792 1 5 . 1 1 78 78 VAL H H 72 8.544 8.544 8.395 0.149 18399
1793 1 5 . 1 1 79 79 ALA N N 73 131.664 131.664 131.152 0.512 18399
1794 1 5 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.693 -0.370 18399
1795 1 5 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.416 0.330 18399
1796 1 5 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.727 0.717 18399
1797 1 5 . 1 1 79 79 ALA H H 73 8.957 8.957 8.379 0.579 18399
1798 1 5 . 1 1 80 80 LEU N N 74 120.722 120.722 118.484 2.238 18399
1799 1 5 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.585 -0.306 18399
1800 1 5 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.812 -0.621 18399
1801 1 5 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.917 0.438 18399
1802 1 5 . 1 1 80 80 LEU H H 74 8.193 8.193 8.314 -0.121 18399
1803 1 5 . 1 1 81 81 ARG N N 75 121.022 121.022 121.809 -0.787 18399
1804 1 5 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.059 0.235 18399
1805 1 5 . 1 1 81 81 ARG CA C 75 55.604 55.604 58.137 -2.533 18399
1806 1 5 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.174 0.683 18399
1807 1 5 . 1 1 81 81 ARG H H 75 8.207 8.207 8.297 -0.090 18399
1808 1 5 . 1 1 82 82 ALA N N 76 125.815 125.815 118.636 7.179 18399
1809 1 5 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.438 -0.160 18399
1810 1 5 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.718 0.760 18399
1811 1 5 . 1 1 82 82 ALA CB C 76 18.813 18.813 21.048 -2.235 18399
1812 1 5 . 1 1 82 82 ALA H H 76 8.471 8.471 7.700 0.771 18399
1813 1 5 . 1 1 83 83 GLY N N 77 109.110 109.110 108.419 0.691 18399
1814 1 5 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.139 0.197 18399
1815 1 5 . 1 1 83 83 GLY H H 77 8.506 8.506 8.776 -0.270 18399
1816 1 6 . 1 1 8 8 LEU N N 2 125.142 125.142 121.964 3.178 18399
1817 1 6 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.122 -0.648 18399
1818 1 6 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.910 1.365 18399
1819 1 6 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.608 -1.706 18399
1820 1 6 . 1 1 8 8 LEU H H 2 8.251 8.251 7.735 0.516 18399
1821 1 6 . 1 1 9 9 LEU N N 3 126.326 126.326 121.346 4.980 18399
1822 1 6 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.952 -0.156 18399
1823 1 6 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.301 -0.258 18399
1824 1 6 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.017 -1.509 18399
1825 1 6 . 1 1 9 9 LEU H H 3 8.307 8.307 8.133 0.174 18399
1826 1 6 . 1 1 10 10 LYS N N 4 121.349 121.349 123.738 -2.389 18399
1827 1 6 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.077 0.003 18399
1828 1 6 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.784 -0.152 18399
1829 1 6 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.081 0.344 18399
1830 1 6 . 1 1 10 10 LYS H H 4 8.428 8.428 8.530 -0.102 18399
1831 1 6 . 1 1 11 11 VAL N N 5 122.408 122.408 123.019 -0.611 18399
1832 1 6 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.888 -0.200 18399
1833 1 6 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.669 0.657 18399
1834 1 6 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.511 1.319 18399
1835 1 6 . 1 1 11 11 VAL H H 5 9.088 9.088 8.641 0.447 18399
1836 1 6 . 1 1 12 12 LYS N N 6 127.778 127.778 125.784 1.994 18399
1837 1 6 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.234 0.118 18399
1838 1 6 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.969 0.706 18399
1839 1 6 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.346 -1.162 18399
1840 1 6 . 1 1 12 12 LYS H H 6 9.029 9.029 8.720 0.309 18399
1841 1 6 . 1 1 13 13 THR N N 7 116.723 116.723 118.038 -1.315 18399
1842 1 6 . 1 1 13 13 THR HA H 7 4.860 4.860 4.599 0.261 18399
1843 1 6 . 1 1 13 13 THR CA C 7 60.392 60.392 60.172 0.220 18399
1844 1 6 . 1 1 13 13 THR CB C 7 71.189 71.189 70.085 1.104 18399
1845 1 6 . 1 1 13 13 THR H H 7 8.790 8.790 8.413 0.377 18399
1846 1 6 . 1 1 14 14 VAL N N 8 119.340 119.340 121.336 -1.996 18399
1847 1 6 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.089 0.014 18399
1848 1 6 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.634 0.078 18399
1849 1 6 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.873 -0.713 18399
1850 1 6 . 1 1 14 14 VAL H H 8 8.872 8.872 8.583 0.289 18399
1851 1 6 . 1 1 15 15 SER N N 9 114.630 114.630 115.458 -0.828 18399
1852 1 6 . 1 1 15 15 SER HA H 9 4.513 4.513 4.470 0.043 18399
1853 1 6 . 1 1 15 15 SER CA C 9 57.913 57.913 58.449 -0.536 18399
1854 1 6 . 1 1 15 15 SER CB C 9 63.243 63.243 62.964 0.279 18399
1855 1 6 . 1 1 15 15 SER H H 9 7.859 7.859 8.002 -0.143 18399
1856 1 6 . 1 1 16 16 ASN N N 10 115.509 115.509 117.026 -1.517 18399
1857 1 6 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.449 -0.257 18399
1858 1 6 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.577 0.384 18399
1859 1 6 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.236 -0.941 18399
1860 1 6 . 1 1 16 16 ASN H H 10 8.229 8.229 7.857 0.372 18399
1861 1 6 . 1 1 17 17 LYS N N 11 120.345 120.345 119.808 0.537 18399
1862 1 6 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.456 -0.201 18399
1863 1 6 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.263 1.084 18399
1864 1 6 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.945 -0.009 18399
1865 1 6 . 1 1 17 17 LYS H H 11 7.315 7.315 7.534 -0.219 18399
1866 1 6 . 1 1 18 18 VAL N N 12 125.270 125.270 125.086 0.184 18399
1867 1 6 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.576 0.061 18399
1868 1 6 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.455 0.295 18399
1869 1 6 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.797 -0.605 18399
1870 1 6 . 1 1 18 18 VAL H H 12 8.576 8.576 8.237 0.339 18399
1871 1 6 . 1 1 19 19 ILE N N 13 130.928 130.928 128.188 2.740 18399
1872 1 6 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.435 -0.282 18399
1873 1 6 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.687 0.758 18399
1874 1 6 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.326 -0.131 18399
1875 1 6 . 1 1 19 19 ILE H H 13 9.486 9.486 8.931 0.555 18399
1876 1 6 . 1 1 20 20 GLN N N 14 124.762 124.762 126.539 -1.777 18399
1877 1 6 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.901 0.161 18399
1878 1 6 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.597 0.198 18399
1879 1 6 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.894 -0.293 18399
1880 1 6 . 1 1 20 20 GLN H H 14 8.803 8.803 8.467 0.336 18399
1881 1 6 . 1 1 21 21 ILE N N 15 126.010 126.010 120.468 5.542 18399
1882 1 6 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.615 -0.102 18399
1883 1 6 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.568 0.071 18399
1884 1 6 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.805 -1.634 18399
1885 1 6 . 1 1 21 21 ILE H H 15 9.076 9.076 8.184 0.892 18399
1886 1 6 . 1 1 22 22 THR N N 16 118.074 118.074 117.160 0.914 18399
1887 1 6 . 1 1 22 22 THR HA H 16 4.904 4.904 4.514 0.390 18399
1888 1 6 . 1 1 22 22 THR CA C 16 61.462 61.462 61.607 -0.145 18399
1889 1 6 . 1 1 22 22 THR CB C 16 69.657 69.657 68.670 0.987 18399
1890 1 6 . 1 1 22 22 THR H H 16 9.047 9.047 8.553 0.494 18399
1891 1 6 . 1 1 23 23 SER N N 17 113.130 113.130 118.014 -4.884 18399
1892 1 6 . 1 1 23 23 SER HA H 17 4.440 4.440 4.647 -0.207 18399
1893 1 6 . 1 1 23 23 SER CA C 17 58.002 58.002 58.150 -0.148 18399
1894 1 6 . 1 1 23 23 SER CB C 17 64.268 64.268 63.420 0.848 18399
1895 1 6 . 1 1 23 23 SER H H 17 7.330 7.330 8.495 -1.165 18399
1896 1 6 . 1 1 24 24 LEU N N 18 123.241 123.241 124.464 -1.223 18399
1897 1 6 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.842 -0.103 18399
1898 1 6 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.795 0.063 18399
1899 1 6 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.926 -2.436 18399
1900 1 6 . 1 1 24 24 LEU H H 18 8.728 8.728 7.908 0.820 18399
1901 1 6 . 1 1 25 25 THR N N 19 111.915 111.915 115.292 -3.377 18399
1902 1 6 . 1 1 25 25 THR HA H 19 4.816 4.816 4.228 0.588 18399
1903 1 6 . 1 1 25 25 THR CA C 19 59.575 59.575 62.145 -2.570 18399
1904 1 6 . 1 1 25 25 THR CB C 19 72.043 72.043 69.690 2.353 18399
1905 1 6 . 1 1 25 25 THR H H 19 9.363 9.363 8.307 1.056 18399
1906 1 6 . 1 1 26 26 ASP N N 20 117.183 117.183 114.729 2.454 18399
1907 1 6 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.583 -0.250 18399
1908 1 6 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.566 2.163 18399
1909 1 6 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.894 -1.512 18399
1910 1 6 . 1 1 26 26 ASP H H 20 8.785 8.785 8.327 0.458 18399
1911 1 6 . 1 1 27 27 ASP N N 21 116.327 116.327 118.501 -2.174 18399
1912 1 6 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.512 0.162 18399
1913 1 6 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.812 -2.042 18399
1914 1 6 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.360 -0.066 18399
1915 1 6 . 1 1 27 27 ASP H H 21 7.775 7.775 8.251 -0.476 18399
1916 1 6 . 1 1 28 28 ASN N N 22 117.269 117.269 113.517 3.752 18399
1917 1 6 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.799 0.093 18399
1918 1 6 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.375 1.435 18399
1919 1 6 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.654 0.447 18399
1920 1 6 . 1 1 28 28 ASN H H 22 7.829 7.829 8.518 -0.689 18399
1921 1 6 . 1 1 29 29 THR N N 23 108.639 108.639 114.255 -5.616 18399
1922 1 6 . 1 1 29 29 THR HA H 23 5.206 5.206 3.890 1.316 18399
1923 1 6 . 1 1 29 29 THR CA C 23 59.830 59.830 65.978 -6.147 18399
1924 1 6 . 1 1 29 29 THR CB C 23 72.396 72.396 67.792 4.604 18399
1925 1 6 . 1 1 29 29 THR H H 23 9.145 9.145 8.160 0.985 18399
1926 1 6 . 1 1 30 30 ILE N N 24 120.336 120.336 122.451 -2.115 18399
1927 1 6 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.854 -0.168 18399
1928 1 6 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.029 -3.449 18399
1929 1 6 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.791 -4.447 18399
1930 1 6 . 1 1 30 30 ILE H H 24 8.477 8.477 8.112 0.365 18399
1931 1 6 . 1 1 31 31 ALA N N 25 123.489 123.489 122.606 0.883 18399
1932 1 6 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.206 -0.335 18399
1933 1 6 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.304 0.652 18399
1934 1 6 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.133 0.027 18399
1935 1 6 . 1 1 31 31 ALA H H 25 8.951 8.951 7.706 1.245 18399
1936 1 6 . 1 1 32 32 GLU N N 26 120.101 120.101 119.420 0.681 18399
1937 1 6 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.166 -0.151 18399
1938 1 6 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.256 0.095 18399
1939 1 6 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.294 -0.572 18399
1940 1 6 . 1 1 32 32 GLU H H 26 7.988 7.988 8.522 -0.534 18399
1941 1 6 . 1 1 33 33 LEU N N 27 124.025 124.025 120.366 3.659 18399
1942 1 6 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.098 -0.065 18399
1943 1 6 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.880 0.781 18399
1944 1 6 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.758 -1.601 18399
1945 1 6 . 1 1 33 33 LEU H H 27 8.083 8.083 7.647 0.436 18399
1946 1 6 . 1 1 34 34 LYS N N 28 119.471 119.471 118.732 0.739 18399
1947 1 6 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.109 -0.310 18399
1948 1 6 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.761 1.750 18399
1949 1 6 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.789 0.059 18399
1950 1 6 . 1 1 34 34 LYS H H 28 8.746 8.746 8.721 0.025 18399
1951 1 6 . 1 1 35 35 GLY N N 29 106.034 106.034 107.865 -1.831 18399
1952 1 6 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.905 0.137 18399
1953 1 6 . 1 1 35 35 GLY H H 29 8.096 8.096 8.444 -0.348 18399
1954 1 6 . 1 1 36 36 LYS N N 30 121.196 121.196 121.683 -0.487 18399
1955 1 6 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.208 0.029 18399
1956 1 6 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.471 -1.129 18399
1957 1 6 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.245 -1.712 18399
1958 1 6 . 1 1 36 36 LYS H H 30 7.704 7.704 7.793 -0.089 18399
1959 1 6 . 1 1 37 37 LEU N N 31 121.657 121.657 120.909 0.748 18399
1960 1 6 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.096 0.199 18399
1961 1 6 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.992 -0.709 18399
1962 1 6 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.440 0.752 18399
1963 1 6 . 1 1 37 37 LEU H H 31 7.948 7.948 8.220 -0.272 18399
1964 1 6 . 1 1 38 38 GLU N N 32 123.295 123.295 119.055 4.240 18399
1965 1 6 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.049 0.305 18399
1966 1 6 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.854 0.450 18399
1967 1 6 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.616 0.723 18399
1968 1 6 . 1 1 38 38 GLU H H 32 8.714 8.714 8.308 0.406 18399
1969 1 6 . 1 1 39 39 GLU N N 33 118.296 118.296 119.578 -1.282 18399
1970 1 6 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.069 -0.083 18399
1971 1 6 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.921 0.221 18399
1972 1 6 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.541 0.061 18399
1973 1 6 . 1 1 39 39 GLU H H 33 7.470 7.470 7.838 -0.368 18399
1974 1 6 . 1 1 40 40 SER N N 34 112.266 112.266 114.288 -2.022 18399
1975 1 6 . 1 1 40 40 SER CA C 34 61.150 61.150 61.110 0.040 18399
1976 1 6 . 1 1 40 40 SER CB C 34 63.578 63.578 63.178 0.400 18399
1977 1 6 . 1 1 40 40 SER H H 34 8.054 8.054 7.843 0.211 18399
1978 1 6 . 1 1 41 41 GLU N N 35 116.449 116.449 118.524 -2.075 18399
1979 1 6 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.372 -0.005 18399
1980 1 6 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.557 -1.501 18399
1981 1 6 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.438 0.106 18399
1982 1 6 . 1 1 41 41 GLU H H 35 8.908 8.908 7.776 1.132 18399
1983 1 6 . 1 1 42 42 GLY N N 36 108.168 108.168 108.706 -0.538 18399
1984 1 6 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.119 0.305 18399
1985 1 6 . 1 1 42 42 GLY H H 36 7.930 7.930 8.014 -0.084 18399
1986 1 6 . 1 1 43 43 ILE N N 37 120.326 120.326 116.472 3.854 18399
1987 1 6 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.629 -0.899 18399
1988 1 6 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.489 1.730 18399
1989 1 6 . 1 1 43 43 ILE H H 37 6.446 6.446 7.329 -0.883 18399
1990 1 6 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.609 -0.433 18399
1991 1 6 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.533 0.485 18399
1992 1 6 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.791 -0.631 18399
1993 1 6 . 1 1 45 45 GLY N N 39 111.710 111.710 108.825 2.885 18399
1994 1 6 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.793 0.813 18399
1995 1 6 . 1 1 45 45 GLY H H 39 9.228 9.228 8.878 0.350 18399
1996 1 6 . 1 1 46 46 ASN N N 40 114.967 114.967 114.266 0.701 18399
1997 1 6 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.689 -0.177 18399
1998 1 6 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.551 0.922 18399
1999 1 6 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.362 -1.852 18399
2000 1 6 . 1 1 46 46 ASN H H 40 8.325 8.325 7.867 0.458 18399
2001 1 6 . 1 1 47 47 MET N N 41 118.446 118.446 119.249 -0.803 18399
2002 1 6 . 1 1 47 47 MET HA H 41 4.557 4.557 4.478 0.079 18399
2003 1 6 . 1 1 47 47 MET CA C 41 54.886 54.886 56.572 -1.686 18399
2004 1 6 . 1 1 47 47 MET CB C 41 32.632 32.632 33.857 -1.225 18399
2005 1 6 . 1 1 47 47 MET H H 41 8.247 8.247 7.890 0.357 18399
2006 1 6 . 1 1 48 48 ILE N N 42 119.569 119.569 116.859 2.710 18399
2007 1 6 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.806 0.290 18399
2008 1 6 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.675 1.074 18399
2009 1 6 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.880 4.556 18399
2010 1 6 . 1 1 48 48 ILE H H 42 7.422 7.422 7.844 -0.422 18399
2011 1 6 . 1 1 49 49 ARG N N 43 127.179 127.179 121.945 5.234 18399
2012 1 6 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.547 0.033 18399
2013 1 6 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.630 -0.668 18399
2014 1 6 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.179 -1.150 18399
2015 1 6 . 1 1 49 49 ARG H H 43 8.967 8.967 7.884 1.083 18399
2016 1 6 . 1 1 50 50 LEU N N 44 122.639 122.639 122.613 0.026 18399
2017 1 6 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.167 0.240 18399
2018 1 6 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.093 -0.398 18399
2019 1 6 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.943 2.712 18399
2020 1 6 . 1 1 50 50 LEU H H 44 8.603 8.603 8.460 0.143 18399
2021 1 6 . 1 1 51 51 VAL N N 45 121.931 121.931 118.779 3.152 18399
2022 1 6 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.820 -0.112 18399
2023 1 6 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.142 -0.559 18399
2024 1 6 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.405 1.196 18399
2025 1 6 . 1 1 51 51 VAL H H 45 8.960 8.960 8.195 0.765 18399
2026 1 6 . 1 1 52 52 TYR N N 46 126.384 126.384 128.607 -2.223 18399
2027 1 6 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.834 0.255 18399
2028 1 6 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.253 -0.178 18399
2029 1 6 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.991 1.678 18399
2030 1 6 . 1 1 52 52 TYR H H 46 8.879 8.879 8.934 -0.055 18399
2031 1 6 . 1 1 53 53 GLN N N 47 127.041 127.041 128.287 -1.246 18399
2032 1 6 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.004 -0.348 18399
2033 1 6 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.612 -0.339 18399
2034 1 6 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.509 -2.068 18399
2035 1 6 . 1 1 53 53 GLN H H 47 9.323 9.323 9.487 -0.164 18399
2036 1 6 . 1 1 54 54 GLY N N 48 102.991 102.991 102.004 0.987 18399
2037 1 6 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.306 0.067 18399
2038 1 6 . 1 1 54 54 GLY H H 48 8.358 8.358 8.589 -0.231 18399
2039 1 6 . 1 1 55 55 LYS N N 49 121.595 121.595 121.259 0.336 18399
2040 1 6 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399
2041 1 6 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.553 -0.213 18399
2042 1 6 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.554 -0.353 18399
2043 1 6 . 1 1 55 55 LYS H H 49 7.819 7.819 7.993 -0.174 18399
2044 1 6 . 1 1 56 56 GLN N N 50 122.484 122.484 119.375 3.109 18399
2045 1 6 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.735 -0.150 18399
2046 1 6 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.650 1.128 18399
2047 1 6 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.973 -2.272 18399
2048 1 6 . 1 1 56 56 GLN H H 50 8.757 8.757 8.465 0.292 18399
2049 1 6 . 1 1 57 57 LEU N N 51 125.130 125.130 119.278 5.852 18399
2050 1 6 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.933 0.367 18399
2051 1 6 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.572 -1.433 18399
2052 1 6 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.347 0.878 18399
2053 1 6 . 1 1 57 57 LEU H H 51 8.442 8.442 9.014 -0.572 18399
2054 1 6 . 1 1 58 58 GLU N N 52 122.551 122.551 119.949 2.602 18399
2055 1 6 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.434 0.025 18399
2056 1 6 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.529 -0.419 18399
2057 1 6 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.229 0.817 18399
2058 1 6 . 1 1 58 58 GLU H H 52 8.125 8.125 8.624 -0.499 18399
2059 1 6 . 1 1 59 59 ASP N N 53 122.235 122.235 121.897 0.338 18399
2060 1 6 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.375 -0.230 18399
2061 1 6 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.806 -0.107 18399
2062 1 6 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.880 0.131 18399
2063 1 6 . 1 1 59 59 ASP H H 53 8.346 8.346 8.610 -0.264 18399
2064 1 6 . 1 1 60 60 GLU N N 54 113.128 113.128 116.245 -3.117 18399
2065 1 6 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.157 0.158 18399
2066 1 6 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.070 -0.734 18399
2067 1 6 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.619 -0.577 18399
2068 1 6 . 1 1 60 60 GLU H H 54 8.756 8.756 8.491 0.265 18399
2069 1 6 . 1 1 61 61 LYS N N 55 119.869 119.869 119.312 0.557 18399
2070 1 6 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.409 -0.158 18399
2071 1 6 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.545 1.412 18399
2072 1 6 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.538 1.405 18399
2073 1 6 . 1 1 61 61 LYS H H 55 7.677 7.677 7.683 -0.006 18399
2074 1 6 . 1 1 62 62 ARG N N 56 117.724 117.724 120.129 -2.405 18399
2075 1 6 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.147 0.577 18399
2076 1 6 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.772 2.348 18399
2077 1 6 . 1 1 62 62 ARG H H 56 8.797 8.797 7.663 1.134 18399
2078 1 6 . 1 1 63 63 LEU N N 57 123.223 123.223 121.461 1.762 18399
2079 1 6 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.204 -0.166 18399
2080 1 6 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.438 1.986 18399
2081 1 6 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.628 -1.230 18399
2082 1 6 . 1 1 63 63 LEU H H 57 8.728 8.728 8.376 0.352 18399
2083 1 6 . 1 1 64 64 LYS N N 58 114.073 114.073 118.515 -4.442 18399
2084 1 6 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.993 0.416 18399
2085 1 6 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.087 -1.253 18399
2086 1 6 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.599 -0.475 18399
2087 1 6 . 1 1 64 64 LYS H H 58 8.681 8.681 8.271 0.410 18399
2088 1 6 . 1 1 65 65 ASP N N 59 120.640 120.640 118.723 1.917 18399
2089 1 6 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.505 -0.086 18399
2090 1 6 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.706 0.800 18399
2091 1 6 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.892 -0.844 18399
2092 1 6 . 1 1 65 65 ASP H H 59 7.862 7.862 8.098 -0.236 18399
2093 1 6 . 1 1 66 66 TYR N N 60 117.775 117.775 119.923 -2.148 18399
2094 1 6 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.241 0.375 18399
2095 1 6 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.770 -2.620 18399
2096 1 6 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.032 0.297 18399
2097 1 6 . 1 1 66 66 TYR H H 60 7.545 7.545 7.994 -0.449 18399
2098 1 6 . 1 1 67 67 GLN N N 61 117.450 117.450 117.702 -0.252 18399
2099 1 6 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.031 0.152 18399
2100 1 6 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.472 -0.855 18399
2101 1 6 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.449 -1.871 18399
2102 1 6 . 1 1 67 67 GLN H H 61 8.155 8.155 7.957 0.198 18399
2103 1 6 . 1 1 68 68 MET N N 62 120.193 120.193 118.180 2.013 18399
2104 1 6 . 1 1 68 68 MET HA H 62 4.470 4.470 4.352 0.118 18399
2105 1 6 . 1 1 68 68 MET CA C 62 55.767 55.767 55.605 0.161 18399
2106 1 6 . 1 1 68 68 MET CB C 62 33.105 33.105 32.771 0.334 18399
2107 1 6 . 1 1 68 68 MET H H 62 7.997 7.997 7.375 0.622 18399
2108 1 6 . 1 1 69 69 SER N N 63 116.722 116.722 112.081 4.641 18399
2109 1 6 . 1 1 69 69 SER HA H 63 4.530 4.530 4.197 0.333 18399
2110 1 6 . 1 1 69 69 SER CA C 63 57.654 57.654 59.241 -1.587 18399
2111 1 6 . 1 1 69 69 SER CB C 63 64.803 64.803 62.435 2.368 18399
2112 1 6 . 1 1 69 69 SER H H 63 8.073 8.073 8.619 -0.546 18399
2113 1 6 . 1 1 70 70 ALA N N 64 123.286 123.286 120.747 2.539 18399
2114 1 6 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.471 -0.215 18399
2115 1 6 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.009 1.557 18399
2116 1 6 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.666 -1.425 18399
2117 1 6 . 1 1 70 70 ALA H H 64 8.492 8.492 7.998 0.494 18399
2118 1 6 . 1 1 71 71 GLY N N 65 110.294 110.294 107.827 2.467 18399
2119 1 6 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.373 0.754 18399
2120 1 6 . 1 1 71 71 GLY H H 65 8.907 8.907 8.097 0.810 18399
2121 1 6 . 1 1 72 72 ALA N N 66 123.229 123.229 128.733 -5.504 18399
2122 1 6 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.245 0.043 18399
2123 1 6 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.226 0.650 18399
2124 1 6 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.458 0.368 18399
2125 1 6 . 1 1 72 72 ALA H H 66 7.572 7.572 8.689 -1.117 18399
2126 1 6 . 1 1 73 73 THR N N 67 116.161 116.161 114.948 1.213 18399
2127 1 6 . 1 1 73 73 THR HA H 67 5.060 5.060 4.410 0.650 18399
2128 1 6 . 1 1 73 73 THR CA C 67 61.493 61.493 60.224 1.269 18399
2129 1 6 . 1 1 73 73 THR CB C 67 71.022 71.022 71.170 -0.148 18399
2130 1 6 . 1 1 73 73 THR H H 67 8.253 8.253 8.620 -0.367 18399
2131 1 6 . 1 1 74 74 PHE N N 68 124.518 124.518 126.172 -1.654 18399
2132 1 6 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.235 0.134 18399
2133 1 6 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.057 -2.044 18399
2134 1 6 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.465 -0.572 18399
2135 1 6 . 1 1 74 74 PHE H H 68 8.989 8.989 8.487 0.502 18399
2136 1 6 . 1 1 75 75 HIS N N 69 120.835 120.835 126.489 -5.654 18399
2137 1 6 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.742 0.404 18399
2138 1 6 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.667 1.464 18399
2139 1 6 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.944 -0.360 18399
2140 1 6 . 1 1 75 75 HIS H H 69 9.300 9.300 8.686 0.614 18399
2141 1 6 . 1 1 76 76 MET N N 70 122.731 122.731 122.488 0.243 18399
2142 1 6 . 1 1 76 76 MET HA H 70 5.199 5.199 4.529 0.670 18399
2143 1 6 . 1 1 76 76 MET CA C 70 54.683 54.683 54.524 0.159 18399
2144 1 6 . 1 1 76 76 MET CB C 70 35.426 35.426 35.480 -0.054 18399
2145 1 6 . 1 1 76 76 MET H H 70 8.563 8.563 8.116 0.447 18399
2146 1 6 . 1 1 77 77 VAL N N 71 128.801 128.801 126.065 2.736 18399
2147 1 6 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.332 -0.055 18399
2148 1 6 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.379 0.964 18399
2149 1 6 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.742 1.914 18399
2150 1 6 . 1 1 77 77 VAL H H 71 9.118 9.118 8.540 0.578 18399
2151 1 6 . 1 1 78 78 VAL N N 72 125.528 125.528 127.678 -2.150 18399
2152 1 6 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.170 0.448 18399
2153 1 6 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.733 -0.248 18399
2154 1 6 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.943 1.368 18399
2155 1 6 . 1 1 78 78 VAL H H 72 8.544 8.544 8.499 0.045 18399
2156 1 6 . 1 1 79 79 ALA N N 73 131.664 131.664 131.272 0.392 18399
2157 1 6 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.767 -0.444 18399
2158 1 6 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.677 0.069 18399
2159 1 6 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.192 0.253 18399
2160 1 6 . 1 1 79 79 ALA H H 73 8.957 8.957 8.553 0.404 18399
2161 1 6 . 1 1 80 80 LEU N N 74 120.722 120.722 122.635 -1.913 18399
2162 1 6 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.445 -0.166 18399
2163 1 6 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.118 0.073 18399
2164 1 6 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.364 -0.008 18399
2165 1 6 . 1 1 80 80 LEU H H 74 8.193 8.193 8.798 -0.605 18399
2166 1 6 . 1 1 81 81 ARG N N 75 121.022 121.022 119.967 1.055 18399
2167 1 6 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.616 -0.322 18399
2168 1 6 . 1 1 81 81 ARG CA C 75 55.604 55.604 54.745 0.859 18399
2169 1 6 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.556 -0.700 18399
2170 1 6 . 1 1 81 81 ARG H H 75 8.207 8.207 7.746 0.461 18399
2171 1 6 . 1 1 82 82 ALA N N 76 125.815 125.815 122.151 3.664 18399
2172 1 6 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.664 -0.386 18399
2173 1 6 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.679 0.799 18399
2174 1 6 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.457 -0.644 18399
2175 1 6 . 1 1 82 82 ALA H H 76 8.471 8.471 8.405 0.066 18399
2176 1 6 . 1 1 83 83 GLY N N 77 109.110 109.110 108.785 0.325 18399
2177 1 6 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.327 1.009 18399
2178 1 6 . 1 1 83 83 GLY H H 77 8.506 8.506 8.502 0.004 18399
2179 1 7 . 1 1 8 8 LEU N N 2 125.142 125.142 122.615 2.527 18399
2180 1 7 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.147 -0.673 18399
2181 1 7 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.937 1.338 18399
2182 1 7 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.908 -2.006 18399
2183 1 7 . 1 1 8 8 LEU H H 2 8.251 8.251 7.678 0.573 18399
2184 1 7 . 1 1 9 9 LEU N N 3 126.326 126.326 121.306 5.020 18399
2185 1 7 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.964 -0.168 18399
2186 1 7 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.285 -0.242 18399
2187 1 7 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.120 -1.612 18399
2188 1 7 . 1 1 9 9 LEU H H 3 8.307 8.307 8.269 0.038 18399
2189 1 7 . 1 1 10 10 LYS N N 4 121.349 121.349 123.614 -2.265 18399
2190 1 7 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.973 0.107 18399
2191 1 7 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.636 -0.004 18399
2192 1 7 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.187 0.238 18399
2193 1 7 . 1 1 10 10 LYS H H 4 8.428 8.428 8.549 -0.121 18399
2194 1 7 . 1 1 11 11 VAL N N 5 122.408 122.408 122.996 -0.588 18399
2195 1 7 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.922 -0.234 18399
2196 1 7 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.607 0.719 18399
2197 1 7 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.846 0.984 18399
2198 1 7 . 1 1 11 11 VAL H H 5 9.088 9.088 8.588 0.500 18399
2199 1 7 . 1 1 12 12 LYS N N 6 127.778 127.778 125.575 2.203 18399
2200 1 7 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.251 0.101 18399
2201 1 7 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.093 0.582 18399
2202 1 7 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.192 -1.008 18399
2203 1 7 . 1 1 12 12 LYS H H 6 9.029 9.029 8.702 0.327 18399
2204 1 7 . 1 1 13 13 THR N N 7 116.723 116.723 118.907 -2.184 18399
2205 1 7 . 1 1 13 13 THR HA H 7 4.860 4.860 4.756 0.104 18399
2206 1 7 . 1 1 13 13 THR CA C 7 60.392 60.392 61.345 -0.953 18399
2207 1 7 . 1 1 13 13 THR CB C 7 71.189 71.189 70.314 0.875 18399
2208 1 7 . 1 1 13 13 THR H H 7 8.790 8.790 8.377 0.413 18399
2209 1 7 . 1 1 14 14 VAL N N 8 119.340 119.340 121.743 -2.403 18399
2210 1 7 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.115 -0.012 18399
2211 1 7 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.513 0.199 18399
2212 1 7 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.799 -0.639 18399
2213 1 7 . 1 1 14 14 VAL H H 8 8.872 8.872 8.708 0.164 18399
2214 1 7 . 1 1 15 15 SER N N 9 114.630 114.630 115.564 -0.934 18399
2215 1 7 . 1 1 15 15 SER HA H 9 4.513 4.513 4.434 0.079 18399
2216 1 7 . 1 1 15 15 SER CA C 9 57.913 57.913 58.486 -0.573 18399
2217 1 7 . 1 1 15 15 SER CB C 9 63.243 63.243 62.798 0.445 18399
2218 1 7 . 1 1 15 15 SER H H 9 7.859 7.859 7.892 -0.033 18399
2219 1 7 . 1 1 16 16 ASN N N 10 115.509 115.509 117.769 -2.260 18399
2220 1 7 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.424 -0.232 18399
2221 1 7 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.803 0.158 18399
2222 1 7 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.222 -0.927 18399
2223 1 7 . 1 1 16 16 ASN H H 10 8.229 8.229 8.062 0.167 18399
2224 1 7 . 1 1 17 17 LYS N N 11 120.345 120.345 120.029 0.316 18399
2225 1 7 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.474 -0.219 18399
2226 1 7 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.061 1.286 18399
2227 1 7 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.017 -0.081 18399
2228 1 7 . 1 1 17 17 LYS H H 11 7.315 7.315 7.587 -0.272 18399
2229 1 7 . 1 1 18 18 VAL N N 12 125.270 125.270 124.854 0.416 18399
2230 1 7 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.730 -0.093 18399
2231 1 7 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.091 0.658 18399
2232 1 7 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.567 -0.375 18399
2233 1 7 . 1 1 18 18 VAL H H 12 8.576 8.576 8.312 0.264 18399
2234 1 7 . 1 1 19 19 ILE N N 13 130.928 130.928 128.174 2.754 18399
2235 1 7 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.399 -0.246 18399
2236 1 7 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.601 0.844 18399
2237 1 7 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.633 0.562 18399
2238 1 7 . 1 1 19 19 ILE H H 13 9.486 9.486 9.039 0.447 18399
2239 1 7 . 1 1 20 20 GLN N N 14 124.762 124.762 127.157 -2.395 18399
2240 1 7 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.880 0.182 18399
2241 1 7 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.600 0.195 18399
2242 1 7 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.313 0.288 18399
2243 1 7 . 1 1 20 20 GLN H H 14 8.803 8.803 8.519 0.284 18399
2244 1 7 . 1 1 21 21 ILE N N 15 126.010 126.010 121.101 4.909 18399
2245 1 7 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.626 -0.113 18399
2246 1 7 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.690 -0.051 18399
2247 1 7 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.405 -1.234 18399
2248 1 7 . 1 1 21 21 ILE H H 15 9.076 9.076 8.158 0.918 18399
2249 1 7 . 1 1 22 22 THR N N 16 118.074 118.074 117.855 0.219 18399
2250 1 7 . 1 1 22 22 THR HA H 16 4.904 4.904 4.572 0.332 18399
2251 1 7 . 1 1 22 22 THR CA C 16 61.462 61.462 61.502 -0.039 18399
2252 1 7 . 1 1 22 22 THR CB C 16 69.657 69.657 68.336 1.321 18399
2253 1 7 . 1 1 22 22 THR H H 16 9.047 9.047 8.414 0.633 18399
2254 1 7 . 1 1 23 23 SER N N 17 113.130 113.130 119.817 -6.687 18399
2255 1 7 . 1 1 23 23 SER HA H 17 4.440 4.440 4.548 -0.108 18399
2256 1 7 . 1 1 23 23 SER CA C 17 58.002 58.002 58.727 -0.725 18399
2257 1 7 . 1 1 23 23 SER CB C 17 64.268 64.268 63.769 0.499 18399
2258 1 7 . 1 1 23 23 SER H H 17 7.330 7.330 7.995 -0.665 18399
2259 1 7 . 1 1 24 24 LEU N N 18 123.241 123.241 124.910 -1.669 18399
2260 1 7 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.673 0.066 18399
2261 1 7 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.310 -0.452 18399
2262 1 7 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.483 -1.992 18399
2263 1 7 . 1 1 24 24 LEU H H 18 8.728 8.728 8.178 0.550 18399
2264 1 7 . 1 1 25 25 THR N N 19 111.915 111.915 114.354 -2.439 18399
2265 1 7 . 1 1 25 25 THR HA H 19 4.816 4.816 4.332 0.484 18399
2266 1 7 . 1 1 25 25 THR CA C 19 59.575 59.575 60.982 -1.407 18399
2267 1 7 . 1 1 25 25 THR CB C 19 72.043 72.043 70.377 1.665 18399
2268 1 7 . 1 1 25 25 THR H H 19 9.363 9.363 8.405 0.958 18399
2269 1 7 . 1 1 26 26 ASP N N 20 117.183 117.183 115.544 1.639 18399
2270 1 7 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.620 -0.287 18399
2271 1 7 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.785 1.944 18399
2272 1 7 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.315 -1.933 18399
2273 1 7 . 1 1 26 26 ASP H H 20 8.785 8.785 8.443 0.342 18399
2274 1 7 . 1 1 27 27 ASP N N 21 116.327 116.327 118.882 -2.555 18399
2275 1 7 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.579 0.095 18399
2276 1 7 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.373 -1.603 18399
2277 1 7 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.060 0.234 18399
2278 1 7 . 1 1 27 27 ASP H H 21 7.775 7.775 8.401 -0.626 18399
2279 1 7 . 1 1 28 28 ASN N N 22 117.269 117.269 113.812 3.457 18399
2280 1 7 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.835 0.057 18399
2281 1 7 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.112 1.698 18399
2282 1 7 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.704 0.397 18399
2283 1 7 . 1 1 28 28 ASN H H 22 7.829 7.829 8.529 -0.700 18399
2284 1 7 . 1 1 29 29 THR N N 23 108.639 108.639 114.742 -6.103 18399
2285 1 7 . 1 1 29 29 THR HA H 23 5.206 5.206 3.820 1.386 18399
2286 1 7 . 1 1 29 29 THR CA C 23 59.830 59.830 65.928 -6.098 18399
2287 1 7 . 1 1 29 29 THR CB C 23 72.396 72.396 67.704 4.692 18399
2288 1 7 . 1 1 29 29 THR H H 23 9.145 9.145 8.133 1.012 18399
2289 1 7 . 1 1 30 30 ILE N N 24 120.336 120.336 122.447 -2.111 18399
2290 1 7 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.735 -0.049 18399
2291 1 7 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.229 -3.649 18399
2292 1 7 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.670 -4.326 18399
2293 1 7 . 1 1 30 30 ILE H H 24 8.477 8.477 8.034 0.443 18399
2294 1 7 . 1 1 31 31 ALA N N 25 123.489 123.489 122.412 1.077 18399
2295 1 7 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.026 -0.155 18399
2296 1 7 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.304 0.652 18399
2297 1 7 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.883 0.277 18399
2298 1 7 . 1 1 31 31 ALA H H 25 8.951 8.951 7.674 1.277 18399
2299 1 7 . 1 1 32 32 GLU N N 26 120.101 120.101 118.765 1.336 18399
2300 1 7 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.017 -0.002 18399
2301 1 7 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.424 -0.073 18399
2302 1 7 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.275 -0.553 18399
2303 1 7 . 1 1 32 32 GLU H H 26 7.988 7.988 8.616 -0.628 18399
2304 1 7 . 1 1 33 33 LEU N N 27 124.025 124.025 120.231 3.794 18399
2305 1 7 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.003 0.030 18399
2306 1 7 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.736 0.926 18399
2307 1 7 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.147 -1.990 18399
2308 1 7 . 1 1 33 33 LEU H H 27 8.083 8.083 7.799 0.284 18399
2309 1 7 . 1 1 34 34 LYS N N 28 119.471 119.471 118.479 0.992 18399
2310 1 7 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.135 -0.336 18399
2311 1 7 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.562 1.948 18399
2312 1 7 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.661 0.187 18399
2313 1 7 . 1 1 34 34 LYS H H 28 8.746 8.746 8.615 0.131 18399
2314 1 7 . 1 1 35 35 GLY N N 29 106.034 106.034 107.914 -1.880 18399
2315 1 7 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.891 0.151 18399
2316 1 7 . 1 1 35 35 GLY H H 29 8.096 8.096 8.395 -0.299 18399
2317 1 7 . 1 1 36 36 LYS N N 30 121.196 121.196 122.468 -1.272 18399
2318 1 7 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.150 0.087 18399
2319 1 7 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.471 -1.129 18399
2320 1 7 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.214 -1.681 18399
2321 1 7 . 1 1 36 36 LYS H H 30 7.704 7.704 7.819 -0.115 18399
2322 1 7 . 1 1 37 37 LEU N N 31 121.657 121.657 121.116 0.541 18399
2323 1 7 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.056 0.239 18399
2324 1 7 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.908 -0.626 18399
2325 1 7 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.206 -0.014 18399
2326 1 7 . 1 1 37 37 LEU H H 31 7.948 7.948 7.977 -0.029 18399
2327 1 7 . 1 1 38 38 GLU N N 32 123.295 123.295 118.590 4.705 18399
2328 1 7 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.974 0.380 18399
2329 1 7 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.864 0.440 18399
2330 1 7 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399
2331 1 7 . 1 1 38 38 GLU H H 32 8.714 8.714 8.078 0.636 18399
2332 1 7 . 1 1 39 39 GLU N N 33 118.296 118.296 120.050 -1.754 18399
2333 1 7 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.060 -0.074 18399
2334 1 7 . 1 1 39 39 GLU CA C 33 59.142 59.142 59.006 0.136 18399
2335 1 7 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.692 -0.090 18399
2336 1 7 . 1 1 39 39 GLU H H 33 7.470 7.470 7.905 -0.435 18399
2337 1 7 . 1 1 40 40 SER N N 34 112.266 112.266 114.623 -2.357 18399
2338 1 7 . 1 1 40 40 SER CA C 34 61.150 61.150 61.054 0.096 18399
2339 1 7 . 1 1 40 40 SER CB C 34 63.578 63.578 63.258 0.320 18399
2340 1 7 . 1 1 40 40 SER H H 34 8.054 8.054 7.798 0.256 18399
2341 1 7 . 1 1 41 41 GLU N N 35 116.449 116.449 119.911 -3.462 18399
2342 1 7 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.383 -0.016 18399
2343 1 7 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.408 -1.352 18399
2344 1 7 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.210 0.334 18399
2345 1 7 . 1 1 41 41 GLU H H 35 8.908 8.908 7.785 1.123 18399
2346 1 7 . 1 1 42 42 GLY N N 36 108.168 108.168 108.791 -0.623 18399
2347 1 7 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.089 0.335 18399
2348 1 7 . 1 1 42 42 GLY H H 36 7.930 7.930 8.037 -0.107 18399
2349 1 7 . 1 1 43 43 ILE N N 37 120.326 120.326 117.492 2.834 18399
2350 1 7 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.572 -0.842 18399
2351 1 7 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.819 1.400 18399
2352 1 7 . 1 1 43 43 ILE H H 37 6.446 6.446 7.345 -0.899 18399
2353 1 7 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.612 -0.436 18399
2354 1 7 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.557 0.461 18399
2355 1 7 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.733 -0.575 18399
2356 1 7 . 1 1 45 45 GLY N N 39 111.710 111.710 110.388 1.322 18399
2357 1 7 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.832 0.774 18399
2358 1 7 . 1 1 45 45 GLY H H 39 9.228 9.228 8.630 0.598 18399
2359 1 7 . 1 1 46 46 ASN N N 40 114.967 114.967 114.074 0.893 18399
2360 1 7 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.654 -0.142 18399
2361 1 7 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.371 1.102 18399
2362 1 7 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.049 -1.539 18399
2363 1 7 . 1 1 46 46 ASN H H 40 8.325 8.325 8.052 0.273 18399
2364 1 7 . 1 1 47 47 MET N N 41 118.446 118.446 119.711 -1.265 18399
2365 1 7 . 1 1 47 47 MET HA H 41 4.557 4.557 4.481 0.076 18399
2366 1 7 . 1 1 47 47 MET CA C 41 54.886 54.886 56.419 -1.532 18399
2367 1 7 . 1 1 47 47 MET CB C 41 32.632 32.632 33.620 -0.988 18399
2368 1 7 . 1 1 47 47 MET H H 41 8.247 8.247 7.976 0.271 18399
2369 1 7 . 1 1 48 48 ILE N N 42 119.569 119.569 117.060 2.509 18399
2370 1 7 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.814 0.282 18399
2371 1 7 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.464 1.285 18399
2372 1 7 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.055 4.381 18399
2373 1 7 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399
2374 1 7 . 1 1 49 49 ARG N N 43 127.179 127.179 122.498 4.681 18399
2375 1 7 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.572 0.008 18399
2376 1 7 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.502 -0.540 18399
2377 1 7 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.028 -0.999 18399
2378 1 7 . 1 1 49 49 ARG H H 43 8.967 8.967 7.827 1.140 18399
2379 1 7 . 1 1 50 50 LEU N N 44 122.639 122.639 122.933 -0.294 18399
2380 1 7 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.183 0.224 18399
2381 1 7 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.397 -0.702 18399
2382 1 7 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.780 2.875 18399
2383 1 7 . 1 1 50 50 LEU H H 44 8.603 8.603 8.389 0.214 18399
2384 1 7 . 1 1 51 51 VAL N N 45 121.931 121.931 118.707 3.224 18399
2385 1 7 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.811 -0.103 18399
2386 1 7 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.637 -1.054 18399
2387 1 7 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.408 1.192 18399
2388 1 7 . 1 1 51 51 VAL H H 45 8.960 8.960 8.459 0.501 18399
2389 1 7 . 1 1 52 52 TYR N N 46 126.384 126.384 128.908 -2.524 18399
2390 1 7 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.865 0.224 18399
2391 1 7 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.880 -0.805 18399
2392 1 7 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.105 1.564 18399
2393 1 7 . 1 1 52 52 TYR H H 46 8.879 8.879 8.898 -0.019 18399
2394 1 7 . 1 1 53 53 GLN N N 47 127.041 127.041 128.115 -1.074 18399
2395 1 7 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.824 -0.168 18399
2396 1 7 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.408 -0.134 18399
2397 1 7 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.213 -1.772 18399
2398 1 7 . 1 1 53 53 GLN H H 47 9.323 9.323 9.116 0.207 18399
2399 1 7 . 1 1 54 54 GLY N N 48 102.991 102.991 101.451 1.540 18399
2400 1 7 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.147 0.226 18399
2401 1 7 . 1 1 54 54 GLY H H 48 8.358 8.358 8.527 -0.169 18399
2402 1 7 . 1 1 55 55 LYS N N 49 121.595 121.595 120.145 1.450 18399
2403 1 7 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.643 -0.026 18399
2404 1 7 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.156 -0.816 18399
2405 1 7 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.878 -0.677 18399
2406 1 7 . 1 1 55 55 LYS H H 49 7.819 7.819 7.979 -0.160 18399
2407 1 7 . 1 1 56 56 GLN N N 50 122.484 122.484 118.815 3.669 18399
2408 1 7 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.727 -0.142 18399
2409 1 7 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.347 1.431 18399
2410 1 7 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.081 -2.380 18399
2411 1 7 . 1 1 56 56 GLN H H 50 8.757 8.757 8.205 0.552 18399
2412 1 7 . 1 1 57 57 LEU N N 51 125.130 125.130 120.430 4.700 18399
2413 1 7 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.080 0.220 18399
2414 1 7 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.654 -1.514 18399
2415 1 7 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.336 0.889 18399
2416 1 7 . 1 1 57 57 LEU H H 51 8.442 8.442 8.776 -0.334 18399
2417 1 7 . 1 1 58 58 GLU N N 52 122.551 122.551 120.543 2.008 18399
2418 1 7 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.465 -0.006 18399
2419 1 7 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.208 -0.098 18399
2420 1 7 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.265 0.781 18399
2421 1 7 . 1 1 58 58 GLU H H 52 8.125 8.125 8.584 -0.459 18399
2422 1 7 . 1 1 59 59 ASP N N 53 122.235 122.235 122.133 0.102 18399
2423 1 7 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.298 -0.153 18399
2424 1 7 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.802 -0.103 18399
2425 1 7 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.738 0.273 18399
2426 1 7 . 1 1 59 59 ASP H H 53 8.346 8.346 8.672 -0.326 18399
2427 1 7 . 1 1 60 60 GLU N N 54 113.128 113.128 117.219 -4.091 18399
2428 1 7 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.113 0.202 18399
2429 1 7 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.240 -0.904 18399
2430 1 7 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.486 -0.444 18399
2431 1 7 . 1 1 60 60 GLU H H 54 8.756 8.756 8.508 0.248 18399
2432 1 7 . 1 1 61 61 LYS N N 55 119.869 119.869 119.297 0.572 18399
2433 1 7 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.400 -0.149 18399
2434 1 7 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.610 1.347 18399
2435 1 7 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.488 1.456 18399
2436 1 7 . 1 1 61 61 LYS H H 55 7.677 7.677 7.703 -0.026 18399
2437 1 7 . 1 1 62 62 ARG N N 56 117.724 117.724 120.196 -2.472 18399
2438 1 7 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.127 0.597 18399
2439 1 7 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.712 2.408 18399
2440 1 7 . 1 1 62 62 ARG H H 56 8.797 8.797 7.648 1.149 18399
2441 1 7 . 1 1 63 63 LEU N N 57 123.223 123.223 121.724 1.499 18399
2442 1 7 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.214 -0.176 18399
2443 1 7 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.393 2.031 18399
2444 1 7 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.710 -1.312 18399
2445 1 7 . 1 1 63 63 LEU H H 57 8.728 8.728 8.409 0.319 18399
2446 1 7 . 1 1 64 64 LYS N N 58 114.073 114.073 118.531 -4.458 18399
2447 1 7 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.018 0.391 18399
2448 1 7 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.168 -1.334 18399
2449 1 7 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.646 -0.522 18399
2450 1 7 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399
2451 1 7 . 1 1 65 65 ASP N N 59 120.640 120.640 118.731 1.909 18399
2452 1 7 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.650 -0.231 18399
2453 1 7 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.090 0.416 18399
2454 1 7 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.878 -0.830 18399
2455 1 7 . 1 1 65 65 ASP H H 59 7.862 7.862 8.073 -0.211 18399
2456 1 7 . 1 1 66 66 TYR N N 60 117.775 117.775 121.034 -3.259 18399
2457 1 7 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.302 0.314 18399
2458 1 7 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.348 -2.198 18399
2459 1 7 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.966 0.363 18399
2460 1 7 . 1 1 66 66 TYR H H 60 7.545 7.545 8.077 -0.532 18399
2461 1 7 . 1 1 67 67 GLN N N 61 117.450 117.450 117.753 -0.303 18399
2462 1 7 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.997 0.186 18399
2463 1 7 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.074 -0.457 18399
2464 1 7 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.422 -1.844 18399
2465 1 7 . 1 1 67 67 GLN H H 61 8.155 8.155 7.812 0.343 18399
2466 1 7 . 1 1 68 68 MET N N 62 120.193 120.193 118.238 1.955 18399
2467 1 7 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399
2468 1 7 . 1 1 68 68 MET CA C 62 55.767 55.767 55.885 -0.118 18399
2469 1 7 . 1 1 68 68 MET CB C 62 33.105 33.105 32.780 0.325 18399
2470 1 7 . 1 1 68 68 MET H H 62 7.997 7.997 7.475 0.522 18399
2471 1 7 . 1 1 69 69 SER N N 63 116.722 116.722 112.311 4.411 18399
2472 1 7 . 1 1 69 69 SER HA H 63 4.530 4.530 4.251 0.279 18399
2473 1 7 . 1 1 69 69 SER CA C 63 57.654 57.654 59.894 -2.240 18399
2474 1 7 . 1 1 69 69 SER CB C 63 64.803 64.803 62.140 2.663 18399
2475 1 7 . 1 1 69 69 SER H H 63 8.073 8.073 8.713 -0.640 18399
2476 1 7 . 1 1 70 70 ALA N N 64 123.286 123.286 120.095 3.191 18399
2477 1 7 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.439 -0.183 18399
2478 1 7 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.089 1.477 18399
2479 1 7 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.211 -0.969 18399
2480 1 7 . 1 1 70 70 ALA H H 64 8.492 8.492 8.090 0.402 18399
2481 1 7 . 1 1 71 71 GLY N N 65 110.294 110.294 108.128 2.166 18399
2482 1 7 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.558 0.569 18399
2483 1 7 . 1 1 71 71 GLY H H 65 8.907 8.907 7.984 0.923 18399
2484 1 7 . 1 1 72 72 ALA N N 66 123.229 123.229 128.934 -5.705 18399
2485 1 7 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.300 -0.012 18399
2486 1 7 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.255 0.621 18399
2487 1 7 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.422 0.404 18399
2488 1 7 . 1 1 72 72 ALA H H 66 7.572 7.572 8.512 -0.940 18399
2489 1 7 . 1 1 73 73 THR N N 67 116.161 116.161 115.552 0.609 18399
2490 1 7 . 1 1 73 73 THR HA H 67 5.060 5.060 5.009 0.051 18399
2491 1 7 . 1 1 73 73 THR CA C 67 61.493 61.493 60.187 1.306 18399
2492 1 7 . 1 1 73 73 THR CB C 67 71.022 71.022 71.315 -0.293 18399
2493 1 7 . 1 1 73 73 THR H H 67 8.253 8.253 8.865 -0.612 18399
2494 1 7 . 1 1 74 74 PHE N N 68 124.518 124.518 126.587 -2.069 18399
2495 1 7 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.266 0.103 18399
2496 1 7 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.186 -2.173 18399
2497 1 7 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.875 -0.982 18399
2498 1 7 . 1 1 74 74 PHE H H 68 8.989 8.989 8.516 0.473 18399
2499 1 7 . 1 1 75 75 HIS N N 69 120.835 120.835 127.128 -6.293 18399
2500 1 7 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.838 0.308 18399
2501 1 7 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.058 1.073 18399
2502 1 7 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.290 0.294 18399
2503 1 7 . 1 1 75 75 HIS H H 69 9.300 9.300 8.763 0.537 18399
2504 1 7 . 1 1 76 76 MET N N 70 122.731 122.731 122.767 -0.036 18399
2505 1 7 . 1 1 76 76 MET HA H 70 5.199 5.199 4.544 0.655 18399
2506 1 7 . 1 1 76 76 MET CA C 70 54.683 54.683 54.570 0.113 18399
2507 1 7 . 1 1 76 76 MET CB C 70 35.426 35.426 36.067 -0.641 18399
2508 1 7 . 1 1 76 76 MET H H 70 8.563 8.563 8.291 0.272 18399
2509 1 7 . 1 1 77 77 VAL N N 71 128.801 128.801 126.627 2.174 18399
2510 1 7 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.433 -0.156 18399
2511 1 7 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.006 1.337 18399
2512 1 7 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.832 0.824 18399
2513 1 7 . 1 1 77 77 VAL H H 71 9.118 9.118 8.568 0.550 18399
2514 1 7 . 1 1 78 78 VAL N N 72 125.528 125.528 129.691 -4.163 18399
2515 1 7 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.189 0.429 18399
2516 1 7 . 1 1 78 78 VAL CA C 72 61.485 61.485 62.233 -0.748 18399
2517 1 7 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.390 0.921 18399
2518 1 7 . 1 1 78 78 VAL H H 72 8.544 8.544 8.435 0.109 18399
2519 1 7 . 1 1 79 79 ALA N N 73 131.664 131.664 130.595 1.069 18399
2520 1 7 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.526 -0.203 18399
2521 1 7 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.374 0.372 18399
2522 1 7 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.631 -0.187 18399
2523 1 7 . 1 1 79 79 ALA H H 73 8.957 8.957 8.767 0.190 18399
2524 1 7 . 1 1 80 80 LEU N N 74 120.722 120.722 118.008 2.714 18399
2525 1 7 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.060 0.219 18399
2526 1 7 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.768 -0.577 18399
2527 1 7 . 1 1 80 80 LEU CB C 74 42.356 42.356 40.336 2.020 18399
2528 1 7 . 1 1 80 80 LEU H H 74 8.193 8.193 8.095 0.098 18399
2529 1 7 . 1 1 81 81 ARG N N 75 121.022 121.022 120.508 0.514 18399
2530 1 7 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.252 0.042 18399
2531 1 7 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.411 -0.807 18399
2532 1 7 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.733 0.123 18399
2533 1 7 . 1 1 81 81 ARG H H 75 8.207 8.207 7.992 0.215 18399
2534 1 7 . 1 1 82 82 ALA N N 76 125.815 125.815 120.150 5.665 18399
2535 1 7 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.437 -0.159 18399
2536 1 7 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.995 0.483 18399
2537 1 7 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.821 -1.008 18399
2538 1 7 . 1 1 82 82 ALA H H 76 8.471 8.471 7.998 0.473 18399
2539 1 7 . 1 1 83 83 GLY N N 77 109.110 109.110 107.186 1.924 18399
2540 1 7 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.635 -0.298 18399
2541 1 7 . 1 1 83 83 GLY H H 77 8.506 8.506 9.469 -0.963 18399
2542 1 8 . 1 1 8 8 LEU N N 2 125.142 125.142 122.780 2.362 18399
2543 1 8 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.021 -0.547 18399
2544 1 8 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.045 1.230 18399
2545 1 8 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.429 -1.527 18399
2546 1 8 . 1 1 8 8 LEU H H 2 8.251 8.251 7.801 0.450 18399
2547 1 8 . 1 1 9 9 LEU N N 3 126.326 126.326 121.426 4.900 18399
2548 1 8 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.945 -0.149 18399
2549 1 8 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.444 -0.401 18399
2550 1 8 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.026 -1.518 18399
2551 1 8 . 1 1 9 9 LEU H H 3 8.307 8.307 8.117 0.190 18399
2552 1 8 . 1 1 10 10 LYS N N 4 121.349 121.349 123.188 -1.839 18399
2553 1 8 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.183 -0.103 18399
2554 1 8 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.800 -0.168 18399
2555 1 8 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.092 0.333 18399
2556 1 8 . 1 1 10 10 LYS H H 4 8.428 8.428 8.485 -0.057 18399
2557 1 8 . 1 1 11 11 VAL N N 5 122.408 122.408 122.229 0.179 18399
2558 1 8 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.904 -0.216 18399
2559 1 8 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.806 0.520 18399
2560 1 8 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.906 0.924 18399
2561 1 8 . 1 1 11 11 VAL H H 5 9.088 9.088 8.634 0.454 18399
2562 1 8 . 1 1 12 12 LYS N N 6 127.778 127.778 125.351 2.427 18399
2563 1 8 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.299 0.053 18399
2564 1 8 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.756 0.919 18399
2565 1 8 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.584 -1.400 18399
2566 1 8 . 1 1 12 12 LYS H H 6 9.029 9.029 8.664 0.365 18399
2567 1 8 . 1 1 13 13 THR N N 7 116.723 116.723 118.230 -1.507 18399
2568 1 8 . 1 1 13 13 THR HA H 7 4.860 4.860 4.752 0.108 18399
2569 1 8 . 1 1 13 13 THR CA C 7 60.392 60.392 60.637 -0.245 18399
2570 1 8 . 1 1 13 13 THR CB C 7 71.189 71.189 70.243 0.946 18399
2571 1 8 . 1 1 13 13 THR H H 7 8.790 8.790 8.367 0.423 18399
2572 1 8 . 1 1 14 14 VAL N N 8 119.340 119.340 121.988 -2.648 18399
2573 1 8 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.097 0.006 18399
2574 1 8 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.418 0.294 18399
2575 1 8 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.656 -0.496 18399
2576 1 8 . 1 1 14 14 VAL H H 8 8.872 8.872 8.784 0.088 18399
2577 1 8 . 1 1 15 15 SER N N 9 114.630 114.630 115.041 -0.411 18399
2578 1 8 . 1 1 15 15 SER HA H 9 4.513 4.513 4.450 0.063 18399
2579 1 8 . 1 1 15 15 SER CA C 9 57.913 57.913 58.349 -0.436 18399
2580 1 8 . 1 1 15 15 SER CB C 9 63.243 63.243 62.872 0.371 18399
2581 1 8 . 1 1 15 15 SER H H 9 7.859 7.859 7.920 -0.061 18399
2582 1 8 . 1 1 16 16 ASN N N 10 115.509 115.509 117.486 -1.977 18399
2583 1 8 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.389 -0.197 18399
2584 1 8 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.581 0.380 18399
2585 1 8 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.595 -1.300 18399
2586 1 8 . 1 1 16 16 ASN H H 10 8.229 8.229 8.027 0.202 18399
2587 1 8 . 1 1 17 17 LYS N N 11 120.345 120.345 120.278 0.067 18399
2588 1 8 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.464 -0.209 18399
2589 1 8 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.097 1.250 18399
2590 1 8 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.994 -0.058 18399
2591 1 8 . 1 1 17 17 LYS H H 11 7.315 7.315 7.567 -0.252 18399
2592 1 8 . 1 1 18 18 VAL N N 12 125.270 125.270 124.898 0.372 18399
2593 1 8 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.665 -0.028 18399
2594 1 8 . 1 1 18 18 VAL CA C 12 61.749 61.749 60.722 1.027 18399
2595 1 8 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.554 -0.362 18399
2596 1 8 . 1 1 18 18 VAL H H 12 8.576 8.576 8.231 0.345 18399
2597 1 8 . 1 1 19 19 ILE N N 13 130.928 130.928 127.786 3.142 18399
2598 1 8 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.441 -0.288 18399
2599 1 8 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.402 1.043 18399
2600 1 8 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.839 -0.644 18399
2601 1 8 . 1 1 19 19 ILE H H 13 9.486 9.486 8.970 0.516 18399
2602 1 8 . 1 1 20 20 GLN N N 14 124.762 124.762 125.657 -0.895 18399
2603 1 8 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.638 0.424 18399
2604 1 8 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.893 -0.098 18399
2605 1 8 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.302 0.299 18399
2606 1 8 . 1 1 20 20 GLN H H 14 8.803 8.803 8.409 0.394 18399
2607 1 8 . 1 1 21 21 ILE N N 15 126.010 126.010 120.292 5.718 18399
2608 1 8 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.686 -0.173 18399
2609 1 8 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.666 -0.027 18399
2610 1 8 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.562 -1.391 18399
2611 1 8 . 1 1 21 21 ILE H H 15 9.076 9.076 8.344 0.732 18399
2612 1 8 . 1 1 22 22 THR N N 16 118.074 118.074 118.010 0.064 18399
2613 1 8 . 1 1 22 22 THR HA H 16 4.904 4.904 4.508 0.396 18399
2614 1 8 . 1 1 22 22 THR CA C 16 61.462 61.462 61.747 -0.285 18399
2615 1 8 . 1 1 22 22 THR CB C 16 69.657 69.657 68.880 0.777 18399
2616 1 8 . 1 1 22 22 THR H H 16 9.047 9.047 8.528 0.519 18399
2617 1 8 . 1 1 23 23 SER N N 17 113.130 113.130 118.736 -5.606 18399
2618 1 8 . 1 1 23 23 SER HA H 17 4.440 4.440 4.654 -0.214 18399
2619 1 8 . 1 1 23 23 SER CA C 17 58.002 58.002 58.558 -0.556 18399
2620 1 8 . 1 1 23 23 SER CB C 17 64.268 64.268 63.351 0.917 18399
2621 1 8 . 1 1 23 23 SER H H 17 7.330 7.330 8.294 -0.964 18399
2622 1 8 . 1 1 24 24 LEU N N 18 123.241 123.241 123.905 -0.664 18399
2623 1 8 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.766 -0.027 18399
2624 1 8 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.567 0.291 18399
2625 1 8 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.373 -1.883 18399
2626 1 8 . 1 1 24 24 LEU H H 18 8.728 8.728 7.815 0.913 18399
2627 1 8 . 1 1 25 25 THR N N 19 111.915 111.915 115.378 -3.463 18399
2628 1 8 . 1 1 25 25 THR HA H 19 4.816 4.816 4.362 0.454 18399
2629 1 8 . 1 1 25 25 THR CA C 19 59.575 59.575 61.304 -1.729 18399
2630 1 8 . 1 1 25 25 THR CB C 19 72.043 72.043 69.689 2.354 18399
2631 1 8 . 1 1 25 25 THR H H 19 9.363 9.363 8.228 1.135 18399
2632 1 8 . 1 1 26 26 ASP N N 20 117.183 117.183 117.434 -0.251 18399
2633 1 8 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.515 -0.182 18399
2634 1 8 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.905 1.824 18399
2635 1 8 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.161 -1.779 18399
2636 1 8 . 1 1 26 26 ASP H H 20 8.785 8.785 8.258 0.527 18399
2637 1 8 . 1 1 27 27 ASP N N 21 116.327 116.327 119.888 -3.561 18399
2638 1 8 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.639 0.035 18399
2639 1 8 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.749 -1.979 18399
2640 1 8 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.386 -0.092 18399
2641 1 8 . 1 1 27 27 ASP H H 21 7.775 7.775 8.293 -0.518 18399
2642 1 8 . 1 1 28 28 ASN N N 22 117.269 117.269 113.673 3.596 18399
2643 1 8 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.824 0.068 18399
2644 1 8 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.210 1.600 18399
2645 1 8 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.757 0.344 18399
2646 1 8 . 1 1 28 28 ASN H H 22 7.829 7.829 8.461 -0.632 18399
2647 1 8 . 1 1 29 29 THR N N 23 108.639 108.639 114.209 -5.570 18399
2648 1 8 . 1 1 29 29 THR HA H 23 5.206 5.206 3.826 1.380 18399
2649 1 8 . 1 1 29 29 THR CA C 23 59.830 59.830 66.124 -6.294 18399
2650 1 8 . 1 1 29 29 THR CB C 23 72.396 72.396 67.561 4.835 18399
2651 1 8 . 1 1 29 29 THR H H 23 9.145 9.145 8.151 0.994 18399
2652 1 8 . 1 1 30 30 ILE N N 24 120.336 120.336 122.520 -2.184 18399
2653 1 8 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.825 -0.139 18399
2654 1 8 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.269 -3.689 18399
2655 1 8 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.781 -4.437 18399
2656 1 8 . 1 1 30 30 ILE H H 24 8.477 8.477 8.102 0.375 18399
2657 1 8 . 1 1 31 31 ALA N N 25 123.489 123.489 122.488 1.001 18399
2658 1 8 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.065 -0.194 18399
2659 1 8 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.328 0.628 18399
2660 1 8 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.926 0.234 18399
2661 1 8 . 1 1 31 31 ALA H H 25 8.951 8.951 7.716 1.235 18399
2662 1 8 . 1 1 32 32 GLU N N 26 120.101 120.101 118.909 1.192 18399
2663 1 8 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.101 -0.086 18399
2664 1 8 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.127 0.224 18399
2665 1 8 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.257 -0.535 18399
2666 1 8 . 1 1 32 32 GLU H H 26 7.988 7.988 8.556 -0.568 18399
2667 1 8 . 1 1 33 33 LEU N N 27 124.025 124.025 120.282 3.743 18399
2668 1 8 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.016 0.017 18399
2669 1 8 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.773 0.889 18399
2670 1 8 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.172 -2.015 18399
2671 1 8 . 1 1 33 33 LEU H H 27 8.083 8.083 7.789 0.294 18399
2672 1 8 . 1 1 34 34 LYS N N 28 119.471 119.471 118.488 0.983 18399
2673 1 8 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.112 -0.313 18399
2674 1 8 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.678 1.832 18399
2675 1 8 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.788 0.060 18399
2676 1 8 . 1 1 34 34 LYS H H 28 8.746 8.746 8.707 0.038 18399
2677 1 8 . 1 1 35 35 GLY N N 29 106.034 106.034 107.845 -1.811 18399
2678 1 8 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.861 0.181 18399
2679 1 8 . 1 1 35 35 GLY H H 29 8.096 8.096 8.408 -0.312 18399
2680 1 8 . 1 1 36 36 LYS N N 30 121.196 121.196 122.175 -0.979 18399
2681 1 8 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.154 0.083 18399
2682 1 8 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.681 -1.339 18399
2683 1 8 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.413 -1.880 18399
2684 1 8 . 1 1 36 36 LYS H H 30 7.704 7.704 7.806 -0.102 18399
2685 1 8 . 1 1 37 37 LEU N N 31 121.657 121.657 121.077 0.580 18399
2686 1 8 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.068 0.227 18399
2687 1 8 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.194 -0.911 18399
2688 1 8 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.267 -0.075 18399
2689 1 8 . 1 1 37 37 LEU H H 31 7.948 7.948 8.176 -0.228 18399
2690 1 8 . 1 1 38 38 GLU N N 32 123.295 123.295 118.747 4.548 18399
2691 1 8 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.999 0.354 18399
2692 1 8 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399
2693 1 8 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.711 0.628 18399
2694 1 8 . 1 1 38 38 GLU H H 32 8.714 8.714 8.236 0.478 18399
2695 1 8 . 1 1 39 39 GLU N N 33 118.296 118.296 119.911 -1.615 18399
2696 1 8 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.072 -0.086 18399
2697 1 8 . 1 1 39 39 GLU CA C 33 59.142 59.142 59.006 0.136 18399
2698 1 8 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.658 -0.056 18399
2699 1 8 . 1 1 39 39 GLU H H 33 7.470 7.470 7.868 -0.398 18399
2700 1 8 . 1 1 40 40 SER N N 34 112.266 112.266 114.574 -2.308 18399
2701 1 8 . 1 1 40 40 SER CA C 34 61.150 61.150 61.006 0.144 18399
2702 1 8 . 1 1 40 40 SER CB C 34 63.578 63.578 63.223 0.355 18399
2703 1 8 . 1 1 40 40 SER H H 34 8.054 8.054 7.935 0.119 18399
2704 1 8 . 1 1 41 41 GLU N N 35 116.449 116.449 119.951 -3.502 18399
2705 1 8 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.371 -0.004 18399
2706 1 8 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.468 -1.412 18399
2707 1 8 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.161 0.383 18399
2708 1 8 . 1 1 41 41 GLU H H 35 8.908 8.908 7.787 1.121 18399
2709 1 8 . 1 1 42 42 GLY N N 36 108.168 108.168 108.702 -0.534 18399
2710 1 8 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.111 0.313 18399
2711 1 8 . 1 1 42 42 GLY H H 36 7.930 7.930 7.998 -0.068 18399
2712 1 8 . 1 1 43 43 ILE N N 37 120.326 120.326 116.501 3.825 18399
2713 1 8 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.592 -0.862 18399
2714 1 8 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.479 1.740 18399
2715 1 8 . 1 1 43 43 ILE H H 37 6.446 6.446 7.365 -0.919 18399
2716 1 8 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.614 -0.438 18399
2717 1 8 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.559 0.459 18399
2718 1 8 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.744 -0.585 18399
2719 1 8 . 1 1 45 45 GLY N N 39 111.710 111.710 110.152 1.558 18399
2720 1 8 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.922 0.684 18399
2721 1 8 . 1 1 45 45 GLY H H 39 9.228 9.228 8.688 0.540 18399
2722 1 8 . 1 1 46 46 ASN N N 40 114.967 114.967 114.030 0.937 18399
2723 1 8 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.640 -0.128 18399
2724 1 8 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.325 1.148 18399
2725 1 8 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.193 -1.683 18399
2726 1 8 . 1 1 46 46 ASN H H 40 8.325 8.325 7.901 0.424 18399
2727 1 8 . 1 1 47 47 MET N N 41 118.446 118.446 119.419 -0.973 18399
2728 1 8 . 1 1 47 47 MET HA H 41 4.557 4.557 4.558 -0.001 18399
2729 1 8 . 1 1 47 47 MET CA C 41 54.886 54.886 56.836 -1.950 18399
2730 1 8 . 1 1 47 47 MET CB C 41 32.632 32.632 33.899 -1.267 18399
2731 1 8 . 1 1 47 47 MET H H 41 8.247 8.247 7.896 0.351 18399
2732 1 8 . 1 1 48 48 ILE N N 42 119.569 119.569 116.042 3.527 18399
2733 1 8 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.787 0.309 18399
2734 1 8 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.701 1.048 18399
2735 1 8 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.686 4.750 18399
2736 1 8 . 1 1 48 48 ILE H H 42 7.422 7.422 7.949 -0.527 18399
2737 1 8 . 1 1 49 49 ARG N N 43 127.179 127.179 122.125 5.054 18399
2738 1 8 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.562 0.018 18399
2739 1 8 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.867 -0.905 18399
2740 1 8 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.003 -0.974 18399
2741 1 8 . 1 1 49 49 ARG H H 43 8.967 8.967 7.800 1.167 18399
2742 1 8 . 1 1 50 50 LEU N N 44 122.639 122.639 122.310 0.329 18399
2743 1 8 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.148 0.259 18399
2744 1 8 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.090 -0.395 18399
2745 1 8 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.128 2.527 18399
2746 1 8 . 1 1 50 50 LEU H H 44 8.603 8.603 8.422 0.181 18399
2747 1 8 . 1 1 51 51 VAL N N 45 121.931 121.931 118.664 3.267 18399
2748 1 8 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.798 -0.090 18399
2749 1 8 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.099 -0.516 18399
2750 1 8 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.580 1.022 18399
2751 1 8 . 1 1 51 51 VAL H H 45 8.960 8.960 8.169 0.791 18399
2752 1 8 . 1 1 52 52 TYR N N 46 126.384 126.384 128.454 -2.070 18399
2753 1 8 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.786 0.303 18399
2754 1 8 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.165 -0.090 18399
2755 1 8 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.785 1.884 18399
2756 1 8 . 1 1 52 52 TYR H H 46 8.879 8.879 8.823 0.056 18399
2757 1 8 . 1 1 53 53 GLN N N 47 127.041 127.041 128.224 -1.183 18399
2758 1 8 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.028 -0.372 18399
2759 1 8 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.622 -0.348 18399
2760 1 8 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.462 -2.021 18399
2761 1 8 . 1 1 53 53 GLN H H 47 9.323 9.323 9.608 -0.285 18399
2762 1 8 . 1 1 54 54 GLY N N 48 102.991 102.991 103.220 -0.229 18399
2763 1 8 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.088 0.285 18399
2764 1 8 . 1 1 54 54 GLY H H 48 8.358 8.358 8.704 -0.346 18399
2765 1 8 . 1 1 55 55 LYS N N 49 121.595 121.595 120.748 0.847 18399
2766 1 8 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.657 -0.040 18399
2767 1 8 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.031 -0.691 18399
2768 1 8 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.707 -0.506 18399
2769 1 8 . 1 1 55 55 LYS H H 49 7.819 7.819 8.012 -0.193 18399
2770 1 8 . 1 1 56 56 GLN N N 50 122.484 122.484 118.946 3.538 18399
2771 1 8 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.659 -0.074 18399
2772 1 8 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.656 1.122 18399
2773 1 8 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.012 -2.311 18399
2774 1 8 . 1 1 56 56 GLN H H 50 8.757 8.757 8.382 0.375 18399
2775 1 8 . 1 1 57 57 LEU N N 51 125.130 125.130 121.094 4.036 18399
2776 1 8 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.095 0.205 18399
2777 1 8 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.840 -1.701 18399
2778 1 8 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.437 0.788 18399
2779 1 8 . 1 1 57 57 LEU H H 51 8.442 8.442 8.744 -0.302 18399
2780 1 8 . 1 1 58 58 GLU N N 52 122.551 122.551 120.595 1.956 18399
2781 1 8 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.441 0.018 18399
2782 1 8 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.243 -0.133 18399
2783 1 8 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.264 0.782 18399
2784 1 8 . 1 1 58 58 GLU H H 52 8.125 8.125 8.537 -0.412 18399
2785 1 8 . 1 1 59 59 ASP N N 53 122.235 122.235 121.771 0.464 18399
2786 1 8 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.343 -0.198 18399
2787 1 8 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.349 -0.650 18399
2788 1 8 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.790 0.221 18399
2789 1 8 . 1 1 59 59 ASP H H 53 8.346 8.346 8.783 -0.437 18399
2790 1 8 . 1 1 60 60 GLU N N 54 113.128 113.128 117.088 -3.960 18399
2791 1 8 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.140 0.175 18399
2792 1 8 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.101 -0.765 18399
2793 1 8 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.657 -0.615 18399
2794 1 8 . 1 1 60 60 GLU H H 54 8.756 8.756 8.465 0.291 18399
2795 1 8 . 1 1 61 61 LYS N N 55 119.869 119.869 118.984 0.885 18399
2796 1 8 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.447 -0.196 18399
2797 1 8 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.789 1.168 18399
2798 1 8 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.511 1.433 18399
2799 1 8 . 1 1 61 61 LYS H H 55 7.677 7.677 7.658 0.019 18399
2800 1 8 . 1 1 62 62 ARG N N 56 117.724 117.724 120.112 -2.388 18399
2801 1 8 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.144 0.580 18399
2802 1 8 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.802 2.318 18399
2803 1 8 . 1 1 62 62 ARG H H 56 8.797 8.797 7.660 1.137 18399
2804 1 8 . 1 1 63 63 LEU N N 57 123.223 123.223 121.323 1.900 18399
2805 1 8 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.202 -0.164 18399
2806 1 8 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.453 1.972 18399
2807 1 8 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.635 -1.237 18399
2808 1 8 . 1 1 63 63 LEU H H 57 8.728 8.728 8.364 0.364 18399
2809 1 8 . 1 1 64 64 LYS N N 58 114.073 114.073 118.522 -4.449 18399
2810 1 8 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.993 0.416 18399
2811 1 8 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.144 -1.310 18399
2812 1 8 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.619 -0.494 18399
2813 1 8 . 1 1 64 64 LYS H H 58 8.681 8.681 8.269 0.412 18399
2814 1 8 . 1 1 65 65 ASP N N 59 120.640 120.640 119.078 1.562 18399
2815 1 8 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.564 -0.145 18399
2816 1 8 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.003 0.503 18399
2817 1 8 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.890 -0.842 18399
2818 1 8 . 1 1 65 65 ASP H H 59 7.862 7.862 8.059 -0.197 18399
2819 1 8 . 1 1 66 66 TYR N N 60 117.775 117.775 119.863 -2.088 18399
2820 1 8 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.270 0.346 18399
2821 1 8 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.395 -2.245 18399
2822 1 8 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.883 0.446 18399
2823 1 8 . 1 1 66 66 TYR H H 60 7.545 7.545 8.009 -0.464 18399
2824 1 8 . 1 1 67 67 GLN N N 61 117.450 117.450 117.770 -0.320 18399
2825 1 8 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.021 0.162 18399
2826 1 8 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.353 -0.737 18399
2827 1 8 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.591 -2.013 18399
2828 1 8 . 1 1 67 67 GLN H H 61 8.155 8.155 7.833 0.322 18399
2829 1 8 . 1 1 68 68 MET N N 62 120.193 120.193 118.188 2.005 18399
2830 1 8 . 1 1 68 68 MET HA H 62 4.470 4.470 4.374 0.096 18399
2831 1 8 . 1 1 68 68 MET CA C 62 55.767 55.767 55.452 0.315 18399
2832 1 8 . 1 1 68 68 MET CB C 62 33.105 33.105 32.815 0.290 18399
2833 1 8 . 1 1 68 68 MET H H 62 7.997 7.997 7.388 0.609 18399
2834 1 8 . 1 1 69 69 SER N N 63 116.722 116.722 112.901 3.821 18399
2835 1 8 . 1 1 69 69 SER HA H 63 4.530 4.530 4.222 0.308 18399
2836 1 8 . 1 1 69 69 SER CA C 63 57.654 57.654 59.155 -1.501 18399
2837 1 8 . 1 1 69 69 SER CB C 63 64.803 64.803 62.167 2.636 18399
2838 1 8 . 1 1 69 69 SER H H 63 8.073 8.073 8.559 -0.486 18399
2839 1 8 . 1 1 70 70 ALA N N 64 123.286 123.286 120.805 2.481 18399
2840 1 8 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.493 -0.237 18399
2841 1 8 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.991 1.575 18399
2842 1 8 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.660 -1.418 18399
2843 1 8 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399
2844 1 8 . 1 1 71 71 GLY N N 65 110.294 110.294 107.766 2.528 18399
2845 1 8 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.731 0.396 18399
2846 1 8 . 1 1 71 71 GLY H H 65 8.907 8.907 8.052 0.855 18399
2847 1 8 . 1 1 72 72 ALA N N 66 123.229 123.229 127.977 -4.748 18399
2848 1 8 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.253 0.035 18399
2849 1 8 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.284 0.592 18399
2850 1 8 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399
2851 1 8 . 1 1 72 72 ALA H H 66 7.572 7.572 8.649 -1.077 18399
2852 1 8 . 1 1 73 73 THR N N 67 116.161 116.161 115.154 1.007 18399
2853 1 8 . 1 1 73 73 THR HA H 67 5.060 5.060 4.371 0.689 18399
2854 1 8 . 1 1 73 73 THR CA C 67 61.493 61.493 60.736 0.757 18399
2855 1 8 . 1 1 73 73 THR CB C 67 71.022 71.022 71.241 -0.219 18399
2856 1 8 . 1 1 73 73 THR H H 67 8.253 8.253 8.714 -0.461 18399
2857 1 8 . 1 1 74 74 PHE N N 68 124.518 124.518 125.759 -1.241 18399
2858 1 8 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.251 0.118 18399
2859 1 8 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.111 -2.098 18399
2860 1 8 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.618 -0.725 18399
2861 1 8 . 1 1 74 74 PHE H H 68 8.989 8.989 8.447 0.542 18399
2862 1 8 . 1 1 75 75 HIS N N 69 120.835 120.835 126.549 -5.714 18399
2863 1 8 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.730 0.416 18399
2864 1 8 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.595 1.536 18399
2865 1 8 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.141 -0.557 18399
2866 1 8 . 1 1 75 75 HIS H H 69 9.300 9.300 8.660 0.640 18399
2867 1 8 . 1 1 76 76 MET N N 70 122.731 122.731 122.162 0.569 18399
2868 1 8 . 1 1 76 76 MET HA H 70 5.199 5.199 4.593 0.606 18399
2869 1 8 . 1 1 76 76 MET CA C 70 54.683 54.683 54.596 0.087 18399
2870 1 8 . 1 1 76 76 MET CB C 70 35.426 35.426 35.631 -0.205 18399
2871 1 8 . 1 1 76 76 MET H H 70 8.563 8.563 7.985 0.578 18399
2872 1 8 . 1 1 77 77 VAL N N 71 128.801 128.801 127.144 1.657 18399
2873 1 8 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.325 -0.048 18399
2874 1 8 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.991 0.352 18399
2875 1 8 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.286 1.370 18399
2876 1 8 . 1 1 77 77 VAL H H 71 9.118 9.118 8.497 0.621 18399
2877 1 8 . 1 1 78 78 VAL N N 72 125.528 125.528 127.748 -2.220 18399
2878 1 8 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.164 0.454 18399
2879 1 8 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.819 0.666 18399
2880 1 8 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.732 1.579 18399
2881 1 8 . 1 1 78 78 VAL H H 72 8.544 8.544 8.524 0.020 18399
2882 1 8 . 1 1 79 79 ALA N N 73 131.664 131.664 130.645 1.019 18399
2883 1 8 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.694 -0.371 18399
2884 1 8 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.601 0.145 18399
2885 1 8 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.959 0.486 18399
2886 1 8 . 1 1 79 79 ALA H H 73 8.957 8.957 8.521 0.436 18399
2887 1 8 . 1 1 80 80 LEU N N 74 120.722 120.722 122.603 -1.881 18399
2888 1 8 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.407 -0.128 18399
2889 1 8 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.841 0.350 18399
2890 1 8 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.252 0.104 18399
2891 1 8 . 1 1 80 80 LEU H H 74 8.193 8.193 8.607 -0.414 18399
2892 1 8 . 1 1 81 81 ARG N N 75 121.022 121.022 116.933 4.089 18399
2893 1 8 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.067 0.227 18399
2894 1 8 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.782 -1.179 18399
2895 1 8 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.210 0.646 18399
2896 1 8 . 1 1 81 81 ARG H H 75 8.207 8.207 8.135 0.072 18399
2897 1 8 . 1 1 82 82 ALA N N 76 125.815 125.815 121.984 3.831 18399
2898 1 8 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.449 -0.171 18399
2899 1 8 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.998 0.480 18399
2900 1 8 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.805 -1.992 18399
2901 1 8 . 1 1 82 82 ALA H H 76 8.471 8.471 8.236 0.235 18399
2902 1 8 . 1 1 83 83 GLY N N 77 109.110 109.110 110.079 -0.969 18399
2903 1 8 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.224 0.112 18399
2904 1 8 . 1 1 83 83 GLY H H 77 8.506 8.506 9.150 -0.644 18399
2905 1 9 . 1 1 8 8 LEU N N 2 125.142 125.142 121.944 3.198 18399
2906 1 9 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.149 -0.675 18399
2907 1 9 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.937 1.338 18399
2908 1 9 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.656 -1.754 18399
2909 1 9 . 1 1 8 8 LEU H H 2 8.251 8.251 7.768 0.483 18399
2910 1 9 . 1 1 9 9 LEU N N 3 126.326 126.326 121.453 4.873 18399
2911 1 9 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.953 -0.157 18399
2912 1 9 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.288 -0.245 18399
2913 1 9 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.047 -1.539 18399
2914 1 9 . 1 1 9 9 LEU H H 3 8.307 8.307 8.191 0.116 18399
2915 1 9 . 1 1 10 10 LYS N N 4 121.349 121.349 123.435 -2.086 18399
2916 1 9 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.019 0.061 18399
2917 1 9 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.777 -0.145 18399
2918 1 9 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.113 0.312 18399
2919 1 9 . 1 1 10 10 LYS H H 4 8.428 8.428 8.467 -0.039 18399
2920 1 9 . 1 1 11 11 VAL N N 5 122.408 122.408 122.889 -0.481 18399
2921 1 9 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.828 -0.140 18399
2922 1 9 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.587 0.738 18399
2923 1 9 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.821 1.009 18399
2924 1 9 . 1 1 11 11 VAL H H 5 9.088 9.088 8.516 0.572 18399
2925 1 9 . 1 1 12 12 LYS N N 6 127.778 127.778 125.176 2.602 18399
2926 1 9 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.233 0.119 18399
2927 1 9 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.199 0.476 18399
2928 1 9 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.716 -0.532 18399
2929 1 9 . 1 1 12 12 LYS H H 6 9.029 9.029 8.619 0.410 18399
2930 1 9 . 1 1 13 13 THR N N 7 116.723 116.723 118.196 -1.473 18399
2931 1 9 . 1 1 13 13 THR HA H 7 4.860 4.860 4.783 0.077 18399
2932 1 9 . 1 1 13 13 THR CA C 7 60.392 60.392 60.995 -0.603 18399
2933 1 9 . 1 1 13 13 THR CB C 7 71.189 71.189 70.289 0.900 18399
2934 1 9 . 1 1 13 13 THR H H 7 8.790 8.790 8.260 0.530 18399
2935 1 9 . 1 1 14 14 VAL N N 8 119.340 119.340 121.943 -2.603 18399
2936 1 9 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.118 -0.015 18399
2937 1 9 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.616 0.096 18399
2938 1 9 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.145 -0.985 18399
2939 1 9 . 1 1 14 14 VAL H H 8 8.872 8.872 8.691 0.181 18399
2940 1 9 . 1 1 15 15 SER N N 9 114.630 114.630 115.447 -0.817 18399
2941 1 9 . 1 1 15 15 SER HA H 9 4.513 4.513 4.475 0.038 18399
2942 1 9 . 1 1 15 15 SER CA C 9 57.913 57.913 58.742 -0.830 18399
2943 1 9 . 1 1 15 15 SER CB C 9 63.243 63.243 62.810 0.433 18399
2944 1 9 . 1 1 15 15 SER H H 9 7.859 7.859 7.912 -0.053 18399
2945 1 9 . 1 1 16 16 ASN N N 10 115.509 115.509 117.274 -1.765 18399
2946 1 9 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.334 -0.142 18399
2947 1 9 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.528 0.433 18399
2948 1 9 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.770 -1.475 18399
2949 1 9 . 1 1 16 16 ASN H H 10 8.229 8.229 8.004 0.225 18399
2950 1 9 . 1 1 17 17 LYS N N 11 120.345 120.345 120.041 0.304 18399
2951 1 9 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.470 -0.215 18399
2952 1 9 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.090 1.257 18399
2953 1 9 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.988 -0.052 18399
2954 1 9 . 1 1 17 17 LYS H H 11 7.315 7.315 7.586 -0.271 18399
2955 1 9 . 1 1 18 18 VAL N N 12 125.270 125.270 124.766 0.504 18399
2956 1 9 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.700 -0.063 18399
2957 1 9 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.127 0.622 18399
2958 1 9 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.556 -0.364 18399
2959 1 9 . 1 1 18 18 VAL H H 12 8.576 8.576 8.274 0.302 18399
2960 1 9 . 1 1 19 19 ILE N N 13 130.928 130.928 128.092 2.836 18399
2961 1 9 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.385 -0.232 18399
2962 1 9 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.460 0.985 18399
2963 1 9 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.488 0.707 18399
2964 1 9 . 1 1 19 19 ILE H H 13 9.486 9.486 8.992 0.494 18399
2965 1 9 . 1 1 20 20 GLN N N 14 124.762 124.762 127.101 -2.339 18399
2966 1 9 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.835 0.227 18399
2967 1 9 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.572 0.223 18399
2968 1 9 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.265 0.336 18399
2969 1 9 . 1 1 20 20 GLN H H 14 8.803 8.803 8.511 0.292 18399
2970 1 9 . 1 1 21 21 ILE N N 15 126.010 126.010 121.011 4.999 18399
2971 1 9 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.623 -0.110 18399
2972 1 9 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.724 -0.085 18399
2973 1 9 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.325 -1.154 18399
2974 1 9 . 1 1 21 21 ILE H H 15 9.076 9.076 8.126 0.950 18399
2975 1 9 . 1 1 22 22 THR N N 16 118.074 118.074 117.185 0.889 18399
2976 1 9 . 1 1 22 22 THR HA H 16 4.904 4.904 4.616 0.288 18399
2977 1 9 . 1 1 22 22 THR CA C 16 61.462 61.462 61.597 -0.135 18399
2978 1 9 . 1 1 22 22 THR CB C 16 69.657 69.657 68.410 1.247 18399
2979 1 9 . 1 1 22 22 THR H H 16 9.047 9.047 8.491 0.556 18399
2980 1 9 . 1 1 23 23 SER N N 17 113.130 113.130 117.354 -4.224 18399
2981 1 9 . 1 1 23 23 SER HA H 17 4.440 4.440 4.643 -0.203 18399
2982 1 9 . 1 1 23 23 SER CA C 17 58.002 58.002 58.349 -0.347 18399
2983 1 9 . 1 1 23 23 SER CB C 17 64.268 64.268 63.273 0.995 18399
2984 1 9 . 1 1 23 23 SER H H 17 7.330 7.330 8.425 -1.095 18399
2985 1 9 . 1 1 24 24 LEU N N 18 123.241 123.241 124.700 -1.459 18399
2986 1 9 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.705 0.034 18399
2987 1 9 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.389 0.469 18399
2988 1 9 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.214 -1.724 18399
2989 1 9 . 1 1 24 24 LEU H H 18 8.728 8.728 7.929 0.799 18399
2990 1 9 . 1 1 25 25 THR N N 19 111.915 111.915 116.727 -4.812 18399
2991 1 9 . 1 1 25 25 THR HA H 19 4.816 4.816 4.232 0.584 18399
2992 1 9 . 1 1 25 25 THR CA C 19 59.575 59.575 61.638 -2.063 18399
2993 1 9 . 1 1 25 25 THR CB C 19 72.043 72.043 69.707 2.337 18399
2994 1 9 . 1 1 25 25 THR H H 19 9.363 9.363 8.323 1.040 18399
2995 1 9 . 1 1 26 26 ASP N N 20 117.183 117.183 117.801 -0.618 18399
2996 1 9 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.531 -0.198 18399
2997 1 9 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.144 2.585 18399
2998 1 9 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.141 -1.759 18399
2999 1 9 . 1 1 26 26 ASP H H 20 8.785 8.785 8.176 0.609 18399
3000 1 9 . 1 1 27 27 ASP N N 21 116.327 116.327 119.139 -2.812 18399
3001 1 9 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.541 0.133 18399
3002 1 9 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.020 -1.250 18399
3003 1 9 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.572 0.722 18399
3004 1 9 . 1 1 27 27 ASP H H 21 7.775 7.775 8.075 -0.300 18399
3005 1 9 . 1 1 28 28 ASN N N 22 117.269 117.269 113.924 3.345 18399
3006 1 9 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.762 0.130 18399
3007 1 9 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.633 1.177 18399
3008 1 9 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.665 1.436 18399
3009 1 9 . 1 1 28 28 ASN H H 22 7.829 7.829 8.290 -0.461 18399
3010 1 9 . 1 1 29 29 THR N N 23 108.639 108.639 113.822 -5.183 18399
3011 1 9 . 1 1 29 29 THR HA H 23 5.206 5.206 3.853 1.353 18399
3012 1 9 . 1 1 29 29 THR CA C 23 59.830 59.830 66.514 -6.684 18399
3013 1 9 . 1 1 29 29 THR CB C 23 72.396 72.396 67.438 4.958 18399
3014 1 9 . 1 1 29 29 THR H H 23 9.145 9.145 8.030 1.115 18399
3015 1 9 . 1 1 30 30 ILE N N 24 120.336 120.336 123.120 -2.784 18399
3016 1 9 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.818 -0.132 18399
3017 1 9 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.172 -3.592 18399
3018 1 9 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.721 -4.377 18399
3019 1 9 . 1 1 30 30 ILE H H 24 8.477 8.477 8.232 0.245 18399
3020 1 9 . 1 1 31 31 ALA N N 25 123.489 123.489 122.416 1.073 18399
3021 1 9 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.152 -0.281 18399
3022 1 9 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.342 0.614 18399
3023 1 9 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.025 0.135 18399
3024 1 9 . 1 1 31 31 ALA H H 25 8.951 8.951 7.678 1.273 18399
3025 1 9 . 1 1 32 32 GLU N N 26 120.101 120.101 118.867 1.234 18399
3026 1 9 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.141 -0.126 18399
3027 1 9 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.115 0.236 18399
3028 1 9 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.337 -0.615 18399
3029 1 9 . 1 1 32 32 GLU H H 26 7.988 7.988 8.521 -0.533 18399
3030 1 9 . 1 1 33 33 LEU N N 27 124.025 124.025 120.404 3.621 18399
3031 1 9 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.032 0.001 18399
3032 1 9 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.737 0.925 18399
3033 1 9 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.214 -2.057 18399
3034 1 9 . 1 1 33 33 LEU H H 27 8.083 8.083 7.829 0.254 18399
3035 1 9 . 1 1 34 34 LYS N N 28 119.471 119.471 118.573 0.898 18399
3036 1 9 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.152 -0.353 18399
3037 1 9 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.601 1.909 18399
3038 1 9 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.672 0.176 18399
3039 1 9 . 1 1 34 34 LYS H H 28 8.746 8.746 8.670 0.076 18399
3040 1 9 . 1 1 35 35 GLY N N 29 106.034 106.034 107.850 -1.816 18399
3041 1 9 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.859 0.183 18399
3042 1 9 . 1 1 35 35 GLY H H 29 8.096 8.096 8.472 -0.376 18399
3043 1 9 . 1 1 36 36 LYS N N 30 121.196 121.196 122.302 -1.106 18399
3044 1 9 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.150 0.087 18399
3045 1 9 . 1 1 36 36 LYS CA C 30 57.342 57.342 59.123 -1.781 18399
3046 1 9 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.383 -1.850 18399
3047 1 9 . 1 1 36 36 LYS H H 30 7.704 7.704 7.804 -0.100 18399
3048 1 9 . 1 1 37 37 LEU N N 31 121.657 121.657 120.906 0.751 18399
3049 1 9 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.995 0.300 18399
3050 1 9 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.078 -0.796 18399
3051 1 9 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.095 0.097 18399
3052 1 9 . 1 1 37 37 LEU H H 31 7.948 7.948 8.113 -0.165 18399
3053 1 9 . 1 1 38 38 GLU N N 32 123.295 123.295 118.639 4.656 18399
3054 1 9 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.983 0.371 18399
3055 1 9 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.878 0.426 18399
3056 1 9 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.033 0.306 18399
3057 1 9 . 1 1 38 38 GLU H H 32 8.714 8.714 8.117 0.597 18399
3058 1 9 . 1 1 39 39 GLU N N 33 118.296 118.296 119.880 -1.584 18399
3059 1 9 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.061 -0.075 18399
3060 1 9 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.703 0.439 18399
3061 1 9 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.593 0.009 18399
3062 1 9 . 1 1 39 39 GLU H H 33 7.470 7.470 7.852 -0.382 18399
3063 1 9 . 1 1 40 40 SER N N 34 112.266 112.266 114.452 -2.186 18399
3064 1 9 . 1 1 40 40 SER CA C 34 61.150 61.150 60.916 0.234 18399
3065 1 9 . 1 1 40 40 SER CB C 34 63.578 63.578 63.192 0.386 18399
3066 1 9 . 1 1 40 40 SER H H 34 8.054 8.054 7.758 0.296 18399
3067 1 9 . 1 1 41 41 GLU N N 35 116.449 116.449 119.071 -2.622 18399
3068 1 9 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.359 0.008 18399
3069 1 9 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.743 -1.687 18399
3070 1 9 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.176 0.368 18399
3071 1 9 . 1 1 41 41 GLU H H 35 8.908 8.908 7.802 1.106 18399
3072 1 9 . 1 1 42 42 GLY N N 36 108.168 108.168 108.426 -0.258 18399
3073 1 9 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.091 0.333 18399
3074 1 9 . 1 1 42 42 GLY H H 36 7.930 7.930 7.685 0.245 18399
3075 1 9 . 1 1 43 43 ILE N N 37 120.326 120.326 117.179 3.147 18399
3076 1 9 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.569 -0.839 18399
3077 1 9 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.794 1.425 18399
3078 1 9 . 1 1 43 43 ILE H H 37 6.446 6.446 7.268 -0.822 18399
3079 1 9 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.606 -0.430 18399
3080 1 9 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.590 0.428 18399
3081 1 9 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.626 -0.467 18399
3082 1 9 . 1 1 45 45 GLY N N 39 111.710 111.710 110.423 1.287 18399
3083 1 9 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.566 1.040 18399
3084 1 9 . 1 1 45 45 GLY H H 39 9.228 9.228 8.620 0.608 18399
3085 1 9 . 1 1 46 46 ASN N N 40 114.967 114.967 114.290 0.677 18399
3086 1 9 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.645 -0.133 18399
3087 1 9 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.374 1.099 18399
3088 1 9 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.084 -1.574 18399
3089 1 9 . 1 1 46 46 ASN H H 40 8.325 8.325 8.017 0.308 18399
3090 1 9 . 1 1 47 47 MET N N 41 118.446 118.446 119.249 -0.803 18399
3091 1 9 . 1 1 47 47 MET HA H 41 4.557 4.557 4.486 0.071 18399
3092 1 9 . 1 1 47 47 MET CA C 41 54.886 54.886 56.356 -1.470 18399
3093 1 9 . 1 1 47 47 MET CB C 41 32.632 32.632 33.464 -0.832 18399
3094 1 9 . 1 1 47 47 MET H H 41 8.247 8.247 7.982 0.265 18399
3095 1 9 . 1 1 48 48 ILE N N 42 119.569 119.569 116.751 2.818 18399
3096 1 9 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.744 0.352 18399
3097 1 9 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.932 0.817 18399
3098 1 9 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.728 3.708 18399
3099 1 9 . 1 1 48 48 ILE H H 42 7.422 7.422 7.851 -0.429 18399
3100 1 9 . 1 1 49 49 ARG N N 43 127.179 127.179 121.949 5.230 18399
3101 1 9 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.604 -0.024 18399
3102 1 9 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.829 -0.867 18399
3103 1 9 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.394 -1.365 18399
3104 1 9 . 1 1 49 49 ARG H H 43 8.967 8.967 7.807 1.160 18399
3105 1 9 . 1 1 50 50 LEU N N 44 122.639 122.639 122.886 -0.247 18399
3106 1 9 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.158 0.249 18399
3107 1 9 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.252 -0.557 18399
3108 1 9 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.792 2.863 18399
3109 1 9 . 1 1 50 50 LEU H H 44 8.603 8.603 8.439 0.164 18399
3110 1 9 . 1 1 51 51 VAL N N 45 121.931 121.931 118.499 3.432 18399
3111 1 9 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.840 -0.132 18399
3112 1 9 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.333 0.251 18399
3113 1 9 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.742 1.859 18399
3114 1 9 . 1 1 51 51 VAL H H 45 8.960 8.960 8.327 0.633 18399
3115 1 9 . 1 1 52 52 TYR N N 46 126.384 126.384 128.085 -1.701 18399
3116 1 9 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.790 0.299 18399
3117 1 9 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.174 -0.099 18399
3118 1 9 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.889 1.780 18399
3119 1 9 . 1 1 52 52 TYR H H 46 8.879 8.879 8.838 0.041 18399
3120 1 9 . 1 1 53 53 GLN N N 47 127.041 127.041 128.352 -1.311 18399
3121 1 9 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.034 -0.378 18399
3122 1 9 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.832 -0.558 18399
3123 1 9 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.446 -2.005 18399
3124 1 9 . 1 1 53 53 GLN H H 47 9.323 9.323 9.615 -0.292 18399
3125 1 9 . 1 1 54 54 GLY N N 48 102.991 102.991 103.164 -0.173 18399
3126 1 9 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.086 0.287 18399
3127 1 9 . 1 1 54 54 GLY H H 48 8.358 8.358 8.692 -0.334 18399
3128 1 9 . 1 1 55 55 LYS N N 49 121.595 121.595 120.971 0.624 18399
3129 1 9 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.646 -0.029 18399
3130 1 9 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.235 -0.895 18399
3131 1 9 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.656 -0.454 18399
3132 1 9 . 1 1 55 55 LYS H H 49 7.819 7.819 7.984 -0.165 18399
3133 1 9 . 1 1 56 56 GLN N N 50 122.484 122.484 119.224 3.260 18399
3134 1 9 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.713 -0.128 18399
3135 1 9 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.830 0.948 18399
3136 1 9 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.528 -1.827 18399
3137 1 9 . 1 1 56 56 GLN H H 50 8.757 8.757 8.373 0.384 18399
3138 1 9 . 1 1 57 57 LEU N N 51 125.130 125.130 121.509 3.621 18399
3139 1 9 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.091 0.209 18399
3140 1 9 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.921 -1.782 18399
3141 1 9 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.513 0.712 18399
3142 1 9 . 1 1 57 57 LEU H H 51 8.442 8.442 8.729 -0.287 18399
3143 1 9 . 1 1 58 58 GLU N N 52 122.551 122.551 120.792 1.759 18399
3144 1 9 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.464 -0.005 18399
3145 1 9 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.278 -0.168 18399
3146 1 9 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.517 0.528 18399
3147 1 9 . 1 1 58 58 GLU H H 52 8.125 8.125 8.633 -0.508 18399
3148 1 9 . 1 1 59 59 ASP N N 53 122.235 122.235 121.984 0.251 18399
3149 1 9 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.348 -0.203 18399
3150 1 9 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.424 -0.725 18399
3151 1 9 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.960 0.051 18399
3152 1 9 . 1 1 59 59 ASP H H 53 8.346 8.346 8.678 -0.332 18399
3153 1 9 . 1 1 60 60 GLU N N 54 113.128 113.128 116.861 -3.733 18399
3154 1 9 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.134 0.181 18399
3155 1 9 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.226 -0.890 18399
3156 1 9 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.502 -0.459 18399
3157 1 9 . 1 1 60 60 GLU H H 54 8.756 8.756 8.518 0.238 18399
3158 1 9 . 1 1 61 61 LYS N N 55 119.869 119.869 119.311 0.558 18399
3159 1 9 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.434 -0.183 18399
3160 1 9 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.704 1.253 18399
3161 1 9 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.502 1.442 18399
3162 1 9 . 1 1 61 61 LYS H H 55 7.677 7.677 7.667 0.010 18399
3163 1 9 . 1 1 62 62 ARG N N 56 117.724 117.724 120.205 -2.481 18399
3164 1 9 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.171 0.553 18399
3165 1 9 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.706 2.414 18399
3166 1 9 . 1 1 62 62 ARG H H 56 8.797 8.797 7.670 1.127 18399
3167 1 9 . 1 1 63 63 LEU N N 57 123.223 123.223 121.755 1.468 18399
3168 1 9 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.244 -0.206 18399
3169 1 9 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.352 2.072 18399
3170 1 9 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.721 -1.323 18399
3171 1 9 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399
3172 1 9 . 1 1 64 64 LYS N N 58 114.073 114.073 118.262 -4.189 18399
3173 1 9 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.027 0.382 18399
3174 1 9 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.017 -1.183 18399
3175 1 9 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.552 -0.428 18399
3176 1 9 . 1 1 64 64 LYS H H 58 8.681 8.681 8.315 0.366 18399
3177 1 9 . 1 1 65 65 ASP N N 59 120.640 120.640 118.744 1.896 18399
3178 1 9 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.522 -0.103 18399
3179 1 9 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.792 0.714 18399
3180 1 9 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.942 -0.894 18399
3181 1 9 . 1 1 65 65 ASP H H 59 7.862 7.862 8.138 -0.276 18399
3182 1 9 . 1 1 66 66 TYR N N 60 117.775 117.775 119.810 -2.035 18399
3183 1 9 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.249 0.367 18399
3184 1 9 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.388 -2.238 18399
3185 1 9 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.920 0.409 18399
3186 1 9 . 1 1 66 66 TYR H H 60 7.545 7.545 7.978 -0.433 18399
3187 1 9 . 1 1 67 67 GLN N N 61 117.450 117.450 117.351 0.099 18399
3188 1 9 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.940 0.243 18399
3189 1 9 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.389 -0.772 18399
3190 1 9 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.477 -1.899 18399
3191 1 9 . 1 1 67 67 GLN H H 61 8.155 8.155 7.882 0.273 18399
3192 1 9 . 1 1 68 68 MET N N 62 120.193 120.193 118.183 2.010 18399
3193 1 9 . 1 1 68 68 MET HA H 62 4.470 4.470 4.371 0.099 18399
3194 1 9 . 1 1 68 68 MET CA C 62 55.767 55.767 55.803 -0.036 18399
3195 1 9 . 1 1 68 68 MET CB C 62 33.105 33.105 32.641 0.464 18399
3196 1 9 . 1 1 68 68 MET H H 62 7.997 7.997 7.409 0.588 18399
3197 1 9 . 1 1 69 69 SER N N 63 116.722 116.722 112.227 4.495 18399
3198 1 9 . 1 1 69 69 SER HA H 63 4.530 4.530 4.253 0.277 18399
3199 1 9 . 1 1 69 69 SER CA C 63 57.654 57.654 59.822 -2.168 18399
3200 1 9 . 1 1 69 69 SER CB C 63 64.803 64.803 62.212 2.591 18399
3201 1 9 . 1 1 69 69 SER H H 63 8.073 8.073 8.687 -0.614 18399
3202 1 9 . 1 1 70 70 ALA N N 64 123.286 123.286 120.037 3.249 18399
3203 1 9 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.428 -0.172 18399
3204 1 9 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.095 1.471 18399
3205 1 9 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.437 -1.195 18399
3206 1 9 . 1 1 70 70 ALA H H 64 8.492 8.492 8.069 0.423 18399
3207 1 9 . 1 1 71 71 GLY N N 65 110.294 110.294 107.814 2.480 18399
3208 1 9 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.435 0.692 18399
3209 1 9 . 1 1 71 71 GLY H H 65 8.907 8.907 8.153 0.754 18399
3210 1 9 . 1 1 72 72 ALA N N 66 123.229 123.229 129.202 -5.973 18399
3211 1 9 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.252 0.036 18399
3212 1 9 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.203 0.673 18399
3213 1 9 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.434 0.392 18399
3214 1 9 . 1 1 72 72 ALA H H 66 7.572 7.572 8.689 -1.117 18399
3215 1 9 . 1 1 73 73 THR N N 67 116.161 116.161 115.265 0.896 18399
3216 1 9 . 1 1 73 73 THR HA H 67 5.060 5.060 4.442 0.618 18399
3217 1 9 . 1 1 73 73 THR CA C 67 61.493 61.493 60.132 1.361 18399
3218 1 9 . 1 1 73 73 THR CB C 67 71.022 71.022 71.072 -0.050 18399
3219 1 9 . 1 1 73 73 THR H H 67 8.253 8.253 8.671 -0.418 18399
3220 1 9 . 1 1 74 74 PHE N N 68 124.518 124.518 126.441 -1.923 18399
3221 1 9 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.168 0.201 18399
3222 1 9 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.103 -2.090 18399
3223 1 9 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.755 -0.862 18399
3224 1 9 . 1 1 74 74 PHE H H 68 8.989 8.989 8.338 0.651 18399
3225 1 9 . 1 1 75 75 HIS N N 69 120.835 120.835 127.070 -6.235 18399
3226 1 9 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.796 0.350 18399
3227 1 9 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.076 1.055 18399
3228 1 9 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.203 0.381 18399
3229 1 9 . 1 1 75 75 HIS H H 69 9.300 9.300 8.675 0.625 18399
3230 1 9 . 1 1 76 76 MET N N 70 122.731 122.731 122.405 0.326 18399
3231 1 9 . 1 1 76 76 MET HA H 70 5.199 5.199 4.575 0.624 18399
3232 1 9 . 1 1 76 76 MET CA C 70 54.683 54.683 54.544 0.139 18399
3233 1 9 . 1 1 76 76 MET CB C 70 35.426 35.426 36.257 -0.831 18399
3234 1 9 . 1 1 76 76 MET H H 70 8.563 8.563 8.277 0.286 18399
3235 1 9 . 1 1 77 77 VAL N N 71 128.801 128.801 126.210 2.591 18399
3236 1 9 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.441 -0.164 18399
3237 1 9 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.546 0.797 18399
3238 1 9 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.898 0.758 18399
3239 1 9 . 1 1 77 77 VAL H H 71 9.118 9.118 8.573 0.545 18399
3240 1 9 . 1 1 78 78 VAL N N 72 125.528 125.528 129.255 -3.727 18399
3241 1 9 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.195 0.423 18399
3242 1 9 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.920 -0.435 18399
3243 1 9 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.480 0.831 18399
3244 1 9 . 1 1 78 78 VAL H H 72 8.544 8.544 8.407 0.137 18399
3245 1 9 . 1 1 79 79 ALA N N 73 131.664 131.664 131.637 0.027 18399
3246 1 9 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.699 -0.376 18399
3247 1 9 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.772 -0.026 18399
3248 1 9 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.170 0.275 18399
3249 1 9 . 1 1 79 79 ALA H H 73 8.957 8.957 8.472 0.485 18399
3250 1 9 . 1 1 80 80 LEU N N 74 120.722 120.722 119.266 1.456 18399
3251 1 9 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.608 -0.329 18399
3252 1 9 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.972 -0.781 18399
3253 1 9 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.873 0.483 18399
3254 1 9 . 1 1 80 80 LEU H H 74 8.193 8.193 8.318 -0.125 18399
3255 1 9 . 1 1 81 81 ARG N N 75 121.022 121.022 122.580 -1.558 18399
3256 1 9 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.189 0.105 18399
3257 1 9 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.845 -1.241 18399
3258 1 9 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.178 0.678 18399
3259 1 9 . 1 1 81 81 ARG H H 75 8.207 8.207 8.202 0.005 18399
3260 1 9 . 1 1 82 82 ALA N N 76 125.815 125.815 120.586 5.229 18399
3261 1 9 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.183 0.095 18399
3262 1 9 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.113 0.365 18399
3263 1 9 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.919 -0.106 18399
3264 1 9 . 1 1 82 82 ALA H H 76 8.471 8.471 7.717 0.754 18399
3265 1 9 . 1 1 83 83 GLY N N 77 109.110 109.110 106.976 2.134 18399
3266 1 9 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.566 -0.230 18399
3267 1 9 . 1 1 83 83 GLY H H 77 8.506 8.506 8.988 -0.482 18399
3268 1 10 . 1 1 8 8 LEU N N 2 125.142 125.142 121.857 3.285 18399
3269 1 10 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.167 -0.693 18399
3270 1 10 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.882 1.393 18399
3271 1 10 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.826 -1.924 18399
3272 1 10 . 1 1 8 8 LEU H H 2 8.251 8.251 7.724 0.527 18399
3273 1 10 . 1 1 9 9 LEU N N 3 126.326 126.326 121.593 4.733 18399
3274 1 10 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.958 -0.162 18399
3275 1 10 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.257 -0.214 18399
3276 1 10 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.077 -1.569 18399
3277 1 10 . 1 1 9 9 LEU H H 3 8.307 8.307 8.297 0.010 18399
3278 1 10 . 1 1 10 10 LYS N N 4 121.349 121.349 123.702 -2.353 18399
3279 1 10 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.976 0.104 18399
3280 1 10 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.810 -0.178 18399
3281 1 10 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.962 0.463 18399
3282 1 10 . 1 1 10 10 LYS H H 4 8.428 8.428 8.524 -0.096 18399
3283 1 10 . 1 1 11 11 VAL N N 5 122.408 122.408 123.286 -0.878 18399
3284 1 10 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.933 -0.245 18399
3285 1 10 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.517 0.809 18399
3286 1 10 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.269 1.561 18399
3287 1 10 . 1 1 11 11 VAL H H 5 9.088 9.088 8.425 0.663 18399
3288 1 10 . 1 1 12 12 LYS N N 6 127.778 127.778 126.245 1.533 18399
3289 1 10 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.289 0.063 18399
3290 1 10 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.282 0.393 18399
3291 1 10 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.027 -0.843 18399
3292 1 10 . 1 1 12 12 LYS H H 6 9.029 9.029 8.602 0.427 18399
3293 1 10 . 1 1 13 13 THR N N 7 116.723 116.723 118.319 -1.596 18399
3294 1 10 . 1 1 13 13 THR HA H 7 4.860 4.860 4.798 0.062 18399
3295 1 10 . 1 1 13 13 THR CA C 7 60.392 60.392 60.426 -0.034 18399
3296 1 10 . 1 1 13 13 THR CB C 7 71.189 71.189 70.273 0.916 18399
3297 1 10 . 1 1 13 13 THR H H 7 8.790 8.790 8.370 0.420 18399
3298 1 10 . 1 1 14 14 VAL N N 8 119.340 119.340 121.731 -2.391 18399
3299 1 10 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.136 -0.033 18399
3300 1 10 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.104 0.608 18399
3301 1 10 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.533 -0.373 18399
3302 1 10 . 1 1 14 14 VAL H H 8 8.872 8.872 8.726 0.146 18399
3303 1 10 . 1 1 15 15 SER N N 9 114.630 114.630 115.177 -0.547 18399
3304 1 10 . 1 1 15 15 SER HA H 9 4.513 4.513 4.482 0.031 18399
3305 1 10 . 1 1 15 15 SER CA C 9 57.913 57.913 58.412 -0.499 18399
3306 1 10 . 1 1 15 15 SER CB C 9 63.243 63.243 63.034 0.209 18399
3307 1 10 . 1 1 15 15 SER H H 9 7.859 7.859 7.921 -0.062 18399
3308 1 10 . 1 1 16 16 ASN N N 10 115.509 115.509 117.409 -1.900 18399
3309 1 10 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.366 -0.174 18399
3310 1 10 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.649 0.312 18399
3311 1 10 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.469 -1.174 18399
3312 1 10 . 1 1 16 16 ASN H H 10 8.229 8.229 7.992 0.237 18399
3313 1 10 . 1 1 17 17 LYS N N 11 120.345 120.345 119.778 0.567 18399
3314 1 10 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.511 -0.256 18399
3315 1 10 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.036 1.311 18399
3316 1 10 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.053 -0.117 18399
3317 1 10 . 1 1 17 17 LYS H H 11 7.315 7.315 7.626 -0.311 18399
3318 1 10 . 1 1 18 18 VAL N N 12 125.270 125.270 125.039 0.231 18399
3319 1 10 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.492 0.145 18399
3320 1 10 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.620 0.129 18399
3321 1 10 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.876 -0.684 18399
3322 1 10 . 1 1 18 18 VAL H H 12 8.576 8.576 8.323 0.253 18399
3323 1 10 . 1 1 19 19 ILE N N 13 130.928 130.928 127.853 3.075 18399
3324 1 10 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.372 -0.219 18399
3325 1 10 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.575 0.870 18399
3326 1 10 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.913 0.282 18399
3327 1 10 . 1 1 19 19 ILE H H 13 9.486 9.486 8.760 0.726 18399
3328 1 10 . 1 1 20 20 GLN N N 14 124.762 124.762 128.322 -3.560 18399
3329 1 10 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.759 0.303 18399
3330 1 10 . 1 1 20 20 GLN CA C 14 54.795 54.795 55.090 -0.295 18399
3331 1 10 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.666 -0.065 18399
3332 1 10 . 1 1 20 20 GLN H H 14 8.803 8.803 8.566 0.237 18399
3333 1 10 . 1 1 21 21 ILE N N 15 126.010 126.010 122.931 3.079 18399
3334 1 10 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.626 -0.113 18399
3335 1 10 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.348 0.291 18399
3336 1 10 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.871 -1.700 18399
3337 1 10 . 1 1 21 21 ILE H H 15 9.076 9.076 8.195 0.881 18399
3338 1 10 . 1 1 22 22 THR N N 16 118.074 118.074 117.429 0.645 18399
3339 1 10 . 1 1 22 22 THR HA H 16 4.904 4.904 4.525 0.379 18399
3340 1 10 . 1 1 22 22 THR CA C 16 61.462 61.462 61.622 -0.160 18399
3341 1 10 . 1 1 22 22 THR CB C 16 69.657 69.657 68.474 1.183 18399
3342 1 10 . 1 1 22 22 THR H H 16 9.047 9.047 8.542 0.505 18399
3343 1 10 . 1 1 23 23 SER N N 17 113.130 113.130 119.373 -6.243 18399
3344 1 10 . 1 1 23 23 SER HA H 17 4.440 4.440 4.622 -0.182 18399
3345 1 10 . 1 1 23 23 SER CA C 17 58.002 58.002 58.638 -0.636 18399
3346 1 10 . 1 1 23 23 SER CB C 17 64.268 64.268 63.497 0.771 18399
3347 1 10 . 1 1 23 23 SER H H 17 7.330 7.330 8.224 -0.894 18399
3348 1 10 . 1 1 24 24 LEU N N 18 123.241 123.241 125.937 -2.696 18399
3349 1 10 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.724 0.015 18399
3350 1 10 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.844 0.014 18399
3351 1 10 . 1 1 24 24 LEU CB C 18 42.490 42.490 45.517 -3.027 18399
3352 1 10 . 1 1 24 24 LEU H H 18 8.728 8.728 7.810 0.918 18399
3353 1 10 . 1 1 25 25 THR N N 19 111.915 111.915 113.823 -1.908 18399
3354 1 10 . 1 1 25 25 THR HA H 19 4.816 4.816 4.333 0.483 18399
3355 1 10 . 1 1 25 25 THR CA C 19 59.575 59.575 60.743 -1.168 18399
3356 1 10 . 1 1 25 25 THR CB C 19 72.043 72.043 70.297 1.746 18399
3357 1 10 . 1 1 25 25 THR H H 19 9.363 9.363 8.347 1.016 18399
3358 1 10 . 1 1 26 26 ASP N N 20 117.183 117.183 116.514 0.669 18399
3359 1 10 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.654 -0.321 18399
3360 1 10 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.661 2.068 18399
3361 1 10 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.965 -1.583 18399
3362 1 10 . 1 1 26 26 ASP H H 20 8.785 8.785 8.470 0.315 18399
3363 1 10 . 1 1 27 27 ASP N N 21 116.327 116.327 119.378 -3.051 18399
3364 1 10 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.607 0.067 18399
3365 1 10 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.929 -2.159 18399
3366 1 10 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.161 0.133 18399
3367 1 10 . 1 1 27 27 ASP H H 21 7.775 7.775 8.351 -0.576 18399
3368 1 10 . 1 1 28 28 ASN N N 22 117.269 117.269 113.530 3.739 18399
3369 1 10 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.828 0.064 18399
3370 1 10 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.196 1.614 18399
3371 1 10 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.766 0.335 18399
3372 1 10 . 1 1 28 28 ASN H H 22 7.829 7.829 8.476 -0.647 18399
3373 1 10 . 1 1 29 29 THR N N 23 108.639 108.639 114.550 -5.911 18399
3374 1 10 . 1 1 29 29 THR HA H 23 5.206 5.206 3.843 1.363 18399
3375 1 10 . 1 1 29 29 THR CA C 23 59.830 59.830 66.084 -6.254 18399
3376 1 10 . 1 1 29 29 THR CB C 23 72.396 72.396 67.646 4.750 18399
3377 1 10 . 1 1 29 29 THR H H 23 9.145 9.145 8.131 1.014 18399
3378 1 10 . 1 1 30 30 ILE N N 24 120.336 120.336 122.562 -2.226 18399
3379 1 10 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.816 -0.130 18399
3380 1 10 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.371 -3.791 18399
3381 1 10 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.785 -4.441 18399
3382 1 10 . 1 1 30 30 ILE H H 24 8.477 8.477 8.097 0.380 18399
3383 1 10 . 1 1 31 31 ALA N N 25 123.489 123.489 122.371 1.118 18399
3384 1 10 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.154 -0.283 18399
3385 1 10 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.313 0.643 18399
3386 1 10 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.050 0.109 18399
3387 1 10 . 1 1 31 31 ALA H H 25 8.951 8.951 7.713 1.238 18399
3388 1 10 . 1 1 32 32 GLU N N 26 120.101 120.101 118.944 1.157 18399
3389 1 10 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.104 -0.089 18399
3390 1 10 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.123 0.228 18399
3391 1 10 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.261 -0.539 18399
3392 1 10 . 1 1 32 32 GLU H H 26 7.988 7.988 8.548 -0.560 18399
3393 1 10 . 1 1 33 33 LEU N N 27 124.025 124.025 120.281 3.744 18399
3394 1 10 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.025 0.008 18399
3395 1 10 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.770 0.892 18399
3396 1 10 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.180 -2.023 18399
3397 1 10 . 1 1 33 33 LEU H H 27 8.083 8.083 7.886 0.197 18399
3398 1 10 . 1 1 34 34 LYS N N 28 119.471 119.471 118.397 1.074 18399
3399 1 10 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.122 -0.323 18399
3400 1 10 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.645 1.865 18399
3401 1 10 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.799 0.049 18399
3402 1 10 . 1 1 34 34 LYS H H 28 8.746 8.746 8.691 0.055 18399
3403 1 10 . 1 1 35 35 GLY N N 29 106.034 106.034 107.895 -1.861 18399
3404 1 10 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.894 0.148 18399
3405 1 10 . 1 1 35 35 GLY H H 29 8.096 8.096 8.407 -0.311 18399
3406 1 10 . 1 1 36 36 LYS N N 30 121.196 121.196 122.041 -0.845 18399
3407 1 10 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.149 0.088 18399
3408 1 10 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.284 -0.942 18399
3409 1 10 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.272 -1.739 18399
3410 1 10 . 1 1 36 36 LYS H H 30 7.704 7.704 7.848 -0.144 18399
3411 1 10 . 1 1 37 37 LEU N N 31 121.657 121.657 120.811 0.846 18399
3412 1 10 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.003 0.292 18399
3413 1 10 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.248 -0.966 18399
3414 1 10 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.144 0.048 18399
3415 1 10 . 1 1 37 37 LEU H H 31 7.948 7.948 7.981 -0.033 18399
3416 1 10 . 1 1 38 38 GLU N N 32 123.295 123.295 118.426 4.869 18399
3417 1 10 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.974 0.380 18399
3418 1 10 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.825 0.479 18399
3419 1 10 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399
3420 1 10 . 1 1 38 38 GLU H H 32 8.714 8.714 8.096 0.618 18399
3421 1 10 . 1 1 39 39 GLU N N 33 118.296 118.296 119.549 -1.253 18399
3422 1 10 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.097 -0.111 18399
3423 1 10 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.624 0.518 18399
3424 1 10 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.397 0.205 18399
3425 1 10 . 1 1 39 39 GLU H H 33 7.470 7.470 7.915 -0.445 18399
3426 1 10 . 1 1 40 40 SER N N 34 112.266 112.266 114.268 -2.002 18399
3427 1 10 . 1 1 40 40 SER CA C 34 61.150 61.150 61.064 0.086 18399
3428 1 10 . 1 1 40 40 SER CB C 34 63.578 63.578 63.191 0.387 18399
3429 1 10 . 1 1 40 40 SER H H 34 8.054 8.054 7.749 0.305 18399
3430 1 10 . 1 1 41 41 GLU N N 35 116.449 116.449 118.536 -2.087 18399
3431 1 10 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.379 -0.012 18399
3432 1 10 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.499 -1.443 18399
3433 1 10 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.441 0.103 18399
3434 1 10 . 1 1 41 41 GLU H H 35 8.908 8.908 7.775 1.133 18399
3435 1 10 . 1 1 42 42 GLY N N 36 108.168 108.168 108.777 -0.609 18399
3436 1 10 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.098 0.326 18399
3437 1 10 . 1 1 42 42 GLY H H 36 7.930 7.930 8.032 -0.102 18399
3438 1 10 . 1 1 43 43 ILE N N 37 120.326 120.326 117.410 2.916 18399
3439 1 10 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.568 -0.838 18399
3440 1 10 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.828 1.391 18399
3441 1 10 . 1 1 43 43 ILE H H 37 6.446 6.446 7.336 -0.890 18399
3442 1 10 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399
3443 1 10 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.552 0.466 18399
3444 1 10 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.738 -0.579 18399
3445 1 10 . 1 1 45 45 GLY N N 39 111.710 111.710 109.139 2.571 18399
3446 1 10 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.827 0.779 18399
3447 1 10 . 1 1 45 45 GLY H H 39 9.228 9.228 8.897 0.331 18399
3448 1 10 . 1 1 46 46 ASN N N 40 114.967 114.967 114.133 0.834 18399
3449 1 10 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.688 -0.176 18399
3450 1 10 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.542 0.931 18399
3451 1 10 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.727 -2.216 18399
3452 1 10 . 1 1 46 46 ASN H H 40 8.325 8.325 8.182 0.143 18399
3453 1 10 . 1 1 47 47 MET N N 41 118.446 118.446 118.581 -0.135 18399
3454 1 10 . 1 1 47 47 MET HA H 41 4.557 4.557 4.471 0.086 18399
3455 1 10 . 1 1 47 47 MET CA C 41 54.886 54.886 55.991 -1.105 18399
3456 1 10 . 1 1 47 47 MET CB C 41 32.632 32.632 34.082 -1.450 18399
3457 1 10 . 1 1 47 47 MET H H 41 8.247 8.247 7.869 0.378 18399
3458 1 10 . 1 1 48 48 ILE N N 42 119.569 119.569 117.078 2.491 18399
3459 1 10 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.789 0.307 18399
3460 1 10 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.547 1.202 18399
3461 1 10 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.899 4.537 18399
3462 1 10 . 1 1 48 48 ILE H H 42 7.422 7.422 7.896 -0.474 18399
3463 1 10 . 1 1 49 49 ARG N N 43 127.179 127.179 121.793 5.386 18399
3464 1 10 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.564 0.016 18399
3465 1 10 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.821 -0.859 18399
3466 1 10 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.980 -0.951 18399
3467 1 10 . 1 1 49 49 ARG H H 43 8.967 8.967 7.849 1.118 18399
3468 1 10 . 1 1 50 50 LEU N N 44 122.639 122.639 121.440 1.199 18399
3469 1 10 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.085 0.322 18399
3470 1 10 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.158 -0.463 18399
3471 1 10 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.134 2.521 18399
3472 1 10 . 1 1 50 50 LEU H H 44 8.603 8.603 8.439 0.164 18399
3473 1 10 . 1 1 51 51 VAL N N 45 121.931 121.931 118.715 3.216 18399
3474 1 10 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.776 -0.068 18399
3475 1 10 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.110 -0.527 18399
3476 1 10 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.649 0.952 18399
3477 1 10 . 1 1 51 51 VAL H H 45 8.960 8.960 8.198 0.762 18399
3478 1 10 . 1 1 52 52 TYR N N 46 126.384 126.384 128.785 -2.401 18399
3479 1 10 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.811 0.278 18399
3480 1 10 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.752 -0.677 18399
3481 1 10 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.732 1.937 18399
3482 1 10 . 1 1 52 52 TYR H H 46 8.879 8.879 8.971 -0.092 18399
3483 1 10 . 1 1 53 53 GLN N N 47 127.041 127.041 127.795 -0.754 18399
3484 1 10 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.064 -0.408 18399
3485 1 10 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.508 -0.235 18399
3486 1 10 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.290 -1.849 18399
3487 1 10 . 1 1 53 53 GLN H H 47 9.323 9.323 9.506 -0.183 18399
3488 1 10 . 1 1 54 54 GLY N N 48 102.991 102.991 102.739 0.252 18399
3489 1 10 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.137 0.236 18399
3490 1 10 . 1 1 54 54 GLY H H 48 8.358 8.358 8.639 -0.281 18399
3491 1 10 . 1 1 55 55 LYS N N 49 121.595 121.595 120.948 0.647 18399
3492 1 10 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.669 -0.052 18399
3493 1 10 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.075 -0.736 18399
3494 1 10 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.781 -0.580 18399
3495 1 10 . 1 1 55 55 LYS H H 49 7.819 7.819 7.979 -0.160 18399
3496 1 10 . 1 1 56 56 GLN N N 50 122.484 122.484 119.094 3.390 18399
3497 1 10 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.666 -0.081 18399
3498 1 10 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.751 1.027 18399
3499 1 10 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.772 -2.071 18399
3500 1 10 . 1 1 56 56 GLN H H 50 8.757 8.757 8.366 0.391 18399
3501 1 10 . 1 1 57 57 LEU N N 51 125.130 125.130 121.114 4.016 18399
3502 1 10 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.075 0.225 18399
3503 1 10 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.411 -1.272 18399
3504 1 10 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.370 0.855 18399
3505 1 10 . 1 1 57 57 LEU H H 51 8.442 8.442 8.735 -0.293 18399
3506 1 10 . 1 1 58 58 GLU N N 52 122.551 122.551 120.516 2.035 18399
3507 1 10 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.487 -0.028 18399
3508 1 10 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.252 -0.142 18399
3509 1 10 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.239 0.807 18399
3510 1 10 . 1 1 58 58 GLU H H 52 8.125 8.125 8.534 -0.409 18399
3511 1 10 . 1 1 59 59 ASP N N 53 122.235 122.235 121.346 0.889 18399
3512 1 10 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.327 -0.182 18399
3513 1 10 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.012 -0.313 18399
3514 1 10 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.913 0.098 18399
3515 1 10 . 1 1 59 59 ASP H H 53 8.346 8.346 8.593 -0.247 18399
3516 1 10 . 1 1 60 60 GLU N N 54 113.128 113.128 116.689 -3.561 18399
3517 1 10 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.136 0.179 18399
3518 1 10 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.212 -0.876 18399
3519 1 10 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.426 -0.384 18399
3520 1 10 . 1 1 60 60 GLU H H 54 8.756 8.756 8.579 0.177 18399
3521 1 10 . 1 1 61 61 LYS N N 55 119.869 119.869 119.373 0.496 18399
3522 1 10 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.403 -0.152 18399
3523 1 10 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.592 1.365 18399
3524 1 10 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.544 1.400 18399
3525 1 10 . 1 1 61 61 LYS H H 55 7.677 7.677 7.721 -0.044 18399
3526 1 10 . 1 1 62 62 ARG N N 56 117.724 117.724 120.221 -2.497 18399
3527 1 10 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.173 0.551 18399
3528 1 10 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.725 2.395 18399
3529 1 10 . 1 1 62 62 ARG H H 56 8.797 8.797 7.671 1.126 18399
3530 1 10 . 1 1 63 63 LEU N N 57 123.223 123.223 121.741 1.482 18399
3531 1 10 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.218 -0.180 18399
3532 1 10 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.389 2.035 18399
3533 1 10 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.711 -1.313 18399
3534 1 10 . 1 1 63 63 LEU H H 57 8.728 8.728 8.418 0.310 18399
3535 1 10 . 1 1 64 64 LYS N N 58 114.073 114.073 118.022 -3.949 18399
3536 1 10 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.025 0.384 18399
3537 1 10 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.092 -1.258 18399
3538 1 10 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.534 -0.410 18399
3539 1 10 . 1 1 64 64 LYS H H 58 8.681 8.681 8.338 0.343 18399
3540 1 10 . 1 1 65 65 ASP N N 59 120.640 120.640 118.666 1.974 18399
3541 1 10 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.553 -0.134 18399
3542 1 10 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.086 0.420 18399
3543 1 10 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.979 -0.931 18399
3544 1 10 . 1 1 65 65 ASP H H 59 7.862 7.862 8.066 -0.204 18399
3545 1 10 . 1 1 66 66 TYR N N 60 117.775 117.775 121.050 -3.275 18399
3546 1 10 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.300 0.316 18399
3547 1 10 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.504 -2.354 18399
3548 1 10 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.965 0.364 18399
3549 1 10 . 1 1 66 66 TYR H H 60 7.545 7.545 8.069 -0.524 18399
3550 1 10 . 1 1 67 67 GLN N N 61 117.450 117.450 116.443 1.007 18399
3551 1 10 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.038 0.145 18399
3552 1 10 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.988 -0.371 18399
3553 1 10 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.482 -1.904 18399
3554 1 10 . 1 1 67 67 GLN H H 61 8.155 8.155 7.824 0.331 18399
3555 1 10 . 1 1 68 68 MET N N 62 120.193 120.193 117.722 2.471 18399
3556 1 10 . 1 1 68 68 MET HA H 62 4.470 4.470 4.400 0.070 18399
3557 1 10 . 1 1 68 68 MET CA C 62 55.767 55.767 56.011 -0.244 18399
3558 1 10 . 1 1 68 68 MET CB C 62 33.105 33.105 32.710 0.395 18399
3559 1 10 . 1 1 68 68 MET H H 62 7.997 7.997 7.378 0.619 18399
3560 1 10 . 1 1 69 69 SER N N 63 116.722 116.722 112.122 4.600 18399
3561 1 10 . 1 1 69 69 SER HA H 63 4.530 4.530 4.200 0.330 18399
3562 1 10 . 1 1 69 69 SER CA C 63 57.654 57.654 59.481 -1.827 18399
3563 1 10 . 1 1 69 69 SER CB C 63 64.803 64.803 62.391 2.412 18399
3564 1 10 . 1 1 69 69 SER H H 63 8.073 8.073 8.687 -0.614 18399
3565 1 10 . 1 1 70 70 ALA N N 64 123.286 123.286 120.392 2.894 18399
3566 1 10 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.452 -0.196 18399
3567 1 10 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.022 1.544 18399
3568 1 10 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.497 -1.255 18399
3569 1 10 . 1 1 70 70 ALA H H 64 8.492 8.492 8.031 0.461 18399
3570 1 10 . 1 1 71 71 GLY N N 65 110.294 110.294 107.661 2.633 18399
3571 1 10 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.422 0.704 18399
3572 1 10 . 1 1 71 71 GLY H H 65 8.907 8.907 8.128 0.779 18399
3573 1 10 . 1 1 72 72 ALA N N 66 123.229 123.229 128.738 -5.509 18399
3574 1 10 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.162 0.126 18399
3575 1 10 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.270 0.606 18399
3576 1 10 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.435 0.391 18399
3577 1 10 . 1 1 72 72 ALA H H 66 7.572 7.572 8.633 -1.061 18399
3578 1 10 . 1 1 73 73 THR N N 67 116.161 116.161 115.336 0.825 18399
3579 1 10 . 1 1 73 73 THR HA H 67 5.060 5.060 4.388 0.672 18399
3580 1 10 . 1 1 73 73 THR CA C 67 61.493 61.493 59.986 1.506 18399
3581 1 10 . 1 1 73 73 THR CB C 67 71.022 71.022 71.013 0.009 18399
3582 1 10 . 1 1 73 73 THR H H 67 8.253 8.253 8.609 -0.356 18399
3583 1 10 . 1 1 74 74 PHE N N 68 124.518 124.518 126.022 -1.504 18399
3584 1 10 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.191 0.178 18399
3585 1 10 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.016 -2.003 18399
3586 1 10 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.434 -0.541 18399
3587 1 10 . 1 1 74 74 PHE H H 68 8.989 8.989 8.347 0.642 18399
3588 1 10 . 1 1 75 75 HIS N N 69 120.835 120.835 126.572 -5.737 18399
3589 1 10 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.711 0.435 18399
3590 1 10 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.556 1.575 18399
3591 1 10 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.083 -0.499 18399
3592 1 10 . 1 1 75 75 HIS H H 69 9.300 9.300 8.826 0.474 18399
3593 1 10 . 1 1 76 76 MET N N 70 122.731 122.731 122.435 0.296 18399
3594 1 10 . 1 1 76 76 MET HA H 70 5.199 5.199 4.570 0.629 18399
3595 1 10 . 1 1 76 76 MET CA C 70 54.683 54.683 54.479 0.204 18399
3596 1 10 . 1 1 76 76 MET CB C 70 35.426 35.426 35.764 -0.338 18399
3597 1 10 . 1 1 76 76 MET H H 70 8.563 8.563 8.032 0.531 18399
3598 1 10 . 1 1 77 77 VAL N N 71 128.801 128.801 125.387 3.414 18399
3599 1 10 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.405 -0.128 18399
3600 1 10 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.974 1.369 18399
3601 1 10 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.806 0.850 18399
3602 1 10 . 1 1 77 77 VAL H H 71 9.118 9.118 8.495 0.623 18399
3603 1 10 . 1 1 78 78 VAL N N 72 125.528 125.528 129.409 -3.881 18399
3604 1 10 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.192 0.426 18399
3605 1 10 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.885 -0.400 18399
3606 1 10 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.066 1.245 18399
3607 1 10 . 1 1 78 78 VAL H H 72 8.544 8.544 8.457 0.087 18399
3608 1 10 . 1 1 79 79 ALA N N 73 131.664 131.664 130.782 0.882 18399
3609 1 10 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.712 -0.389 18399
3610 1 10 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.686 0.060 18399
3611 1 10 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.757 0.688 18399
3612 1 10 . 1 1 79 79 ALA H H 73 8.957 8.957 8.705 0.252 18399
3613 1 10 . 1 1 80 80 LEU N N 74 120.722 120.722 122.717 -1.995 18399
3614 1 10 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.464 -0.185 18399
3615 1 10 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.319 -0.128 18399
3616 1 10 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.594 -0.238 18399
3617 1 10 . 1 1 80 80 LEU H H 74 8.193 8.193 8.637 -0.444 18399
3618 1 10 . 1 1 81 81 ARG N N 75 121.022 121.022 120.606 0.416 18399
3619 1 10 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.326 -0.032 18399
3620 1 10 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.886 -0.282 18399
3621 1 10 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.835 0.021 18399
3622 1 10 . 1 1 81 81 ARG H H 75 8.207 8.207 8.131 0.076 18399
3623 1 10 . 1 1 82 82 ALA N N 76 125.815 125.815 122.417 3.398 18399
3624 1 10 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.356 -0.078 18399
3625 1 10 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.608 0.870 18399
3626 1 10 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.819 -1.006 18399
3627 1 10 . 1 1 82 82 ALA H H 76 8.471 8.471 8.227 0.244 18399
3628 1 10 . 1 1 83 83 GLY N N 77 109.110 109.110 107.812 1.298 18399
3629 1 10 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.409 0.927 18399
3630 1 10 . 1 1 83 83 GLY H H 77 8.506 8.506 8.150 0.356 18399
3631 1 11 . 1 1 8 8 LEU N N 2 125.142 125.142 121.101 4.041 18399
3632 1 11 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.156 -0.682 18399
3633 1 11 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.816 1.459 18399
3634 1 11 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.521 -1.619 18399
3635 1 11 . 1 1 8 8 LEU H H 2 8.251 8.251 7.714 0.537 18399
3636 1 11 . 1 1 9 9 LEU N N 3 126.326 126.326 121.227 5.099 18399
3637 1 11 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.936 -0.140 18399
3638 1 11 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.256 -0.213 18399
3639 1 11 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.108 -1.600 18399
3640 1 11 . 1 1 9 9 LEU H H 3 8.307 8.307 8.262 0.045 18399
3641 1 11 . 1 1 10 10 LYS N N 4 121.349 121.349 123.827 -2.478 18399
3642 1 11 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.931 0.149 18399
3643 1 11 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.582 0.050 18399
3644 1 11 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.117 0.308 18399
3645 1 11 . 1 1 10 10 LYS H H 4 8.428 8.428 8.502 -0.074 18399
3646 1 11 . 1 1 11 11 VAL N N 5 122.408 122.408 123.157 -0.749 18399
3647 1 11 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.847 -0.159 18399
3648 1 11 . 1 1 11 11 VAL CA C 5 60.326 60.326 58.958 1.368 18399
3649 1 11 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.237 1.593 18399
3650 1 11 . 1 1 11 11 VAL H H 5 9.088 9.088 8.488 0.600 18399
3651 1 11 . 1 1 12 12 LYS N N 6 127.778 127.778 125.598 2.180 18399
3652 1 11 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.217 0.135 18399
3653 1 11 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.182 0.493 18399
3654 1 11 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.103 -0.919 18399
3655 1 11 . 1 1 12 12 LYS H H 6 9.029 9.029 8.625 0.404 18399
3656 1 11 . 1 1 13 13 THR N N 7 116.723 116.723 117.937 -1.214 18399
3657 1 11 . 1 1 13 13 THR HA H 7 4.860 4.860 4.752 0.108 18399
3658 1 11 . 1 1 13 13 THR CA C 7 60.392 60.392 61.124 -0.732 18399
3659 1 11 . 1 1 13 13 THR CB C 7 71.189 71.189 70.405 0.784 18399
3660 1 11 . 1 1 13 13 THR H H 7 8.790 8.790 8.324 0.466 18399
3661 1 11 . 1 1 14 14 VAL N N 8 119.340 119.340 120.622 -1.282 18399
3662 1 11 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.041 0.062 18399
3663 1 11 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.013 0.699 18399
3664 1 11 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.734 -0.574 18399
3665 1 11 . 1 1 14 14 VAL H H 8 8.872 8.872 8.423 0.449 18399
3666 1 11 . 1 1 15 15 SER N N 9 114.630 114.630 113.663 0.967 18399
3667 1 11 . 1 1 15 15 SER HA H 9 4.513 4.513 4.559 -0.046 18399
3668 1 11 . 1 1 15 15 SER CA C 9 57.913 57.913 58.382 -0.469 18399
3669 1 11 . 1 1 15 15 SER CB C 9 63.243 63.243 63.165 0.078 18399
3670 1 11 . 1 1 15 15 SER H H 9 7.859 7.859 8.107 -0.248 18399
3671 1 11 . 1 1 16 16 ASN N N 10 115.509 115.509 118.029 -2.520 18399
3672 1 11 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.479 -0.287 18399
3673 1 11 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.633 0.328 18399
3674 1 11 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.213 -0.918 18399
3675 1 11 . 1 1 16 16 ASN H H 10 8.229 8.229 7.957 0.272 18399
3676 1 11 . 1 1 17 17 LYS N N 11 120.345 120.345 119.730 0.615 18399
3677 1 11 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.471 -0.216 18399
3678 1 11 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.096 1.251 18399
3679 1 11 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.961 -0.025 18399
3680 1 11 . 1 1 17 17 LYS H H 11 7.315 7.315 7.586 -0.271 18399
3681 1 11 . 1 1 18 18 VAL N N 12 125.270 125.270 124.869 0.401 18399
3682 1 11 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.673 -0.036 18399
3683 1 11 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.485 0.264 18399
3684 1 11 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.612 -0.420 18399
3685 1 11 . 1 1 18 18 VAL H H 12 8.576 8.576 8.278 0.298 18399
3686 1 11 . 1 1 19 19 ILE N N 13 130.928 130.928 127.909 3.019 18399
3687 1 11 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.433 -0.280 18399
3688 1 11 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.483 0.962 18399
3689 1 11 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.809 0.385 18399
3690 1 11 . 1 1 19 19 ILE H H 13 9.486 9.486 8.981 0.505 18399
3691 1 11 . 1 1 20 20 GLN N N 14 124.762 124.762 126.975 -2.213 18399
3692 1 11 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.865 0.197 18399
3693 1 11 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.864 -0.069 18399
3694 1 11 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.438 0.163 18399
3695 1 11 . 1 1 20 20 GLN H H 14 8.803 8.803 8.480 0.323 18399
3696 1 11 . 1 1 21 21 ILE N N 15 126.010 126.010 121.172 4.838 18399
3697 1 11 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.618 -0.105 18399
3698 1 11 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.698 -0.059 18399
3699 1 11 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.667 -1.496 18399
3700 1 11 . 1 1 21 21 ILE H H 15 9.076 9.076 8.144 0.932 18399
3701 1 11 . 1 1 22 22 THR N N 16 118.074 118.074 117.786 0.288 18399
3702 1 11 . 1 1 22 22 THR HA H 16 4.904 4.904 4.567 0.337 18399
3703 1 11 . 1 1 22 22 THR CA C 16 61.462 61.462 61.490 -0.028 18399
3704 1 11 . 1 1 22 22 THR CB C 16 69.657 69.657 68.449 1.208 18399
3705 1 11 . 1 1 22 22 THR H H 16 9.047 9.047 8.407 0.640 18399
3706 1 11 . 1 1 23 23 SER N N 17 113.130 113.130 120.110 -6.980 18399
3707 1 11 . 1 1 23 23 SER HA H 17 4.440 4.440 4.556 -0.116 18399
3708 1 11 . 1 1 23 23 SER CA C 17 58.002 58.002 58.774 -0.772 18399
3709 1 11 . 1 1 23 23 SER CB C 17 64.268 64.268 63.793 0.475 18399
3710 1 11 . 1 1 23 23 SER H H 17 7.330 7.330 7.996 -0.666 18399
3711 1 11 . 1 1 24 24 LEU N N 18 123.241 123.241 125.086 -1.845 18399
3712 1 11 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.738 0.001 18399
3713 1 11 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.175 -0.317 18399
3714 1 11 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.501 -2.011 18399
3715 1 11 . 1 1 24 24 LEU H H 18 8.728 8.728 8.140 0.588 18399
3716 1 11 . 1 1 25 25 THR N N 19 111.915 111.915 114.348 -2.433 18399
3717 1 11 . 1 1 25 25 THR HA H 19 4.816 4.816 4.289 0.527 18399
3718 1 11 . 1 1 25 25 THR CA C 19 59.575 59.575 61.511 -1.935 18399
3719 1 11 . 1 1 25 25 THR CB C 19 72.043 72.043 70.365 1.677 18399
3720 1 11 . 1 1 25 25 THR H H 19 9.363 9.363 8.412 0.951 18399
3721 1 11 . 1 1 26 26 ASP N N 20 117.183 117.183 116.764 0.419 18399
3722 1 11 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.689 -0.356 18399
3723 1 11 . 1 1 26 26 ASP CA C 20 55.729 55.729 54.330 1.399 18399
3724 1 11 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.226 -1.844 18399
3725 1 11 . 1 1 26 26 ASP H H 20 8.785 8.785 8.448 0.337 18399
3726 1 11 . 1 1 27 27 ASP N N 21 116.327 116.327 119.352 -3.025 18399
3727 1 11 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.649 0.025 18399
3728 1 11 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.245 -1.475 18399
3729 1 11 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.201 0.093 18399
3730 1 11 . 1 1 27 27 ASP H H 21 7.775 7.775 8.439 -0.664 18399
3731 1 11 . 1 1 28 28 ASN N N 22 117.269 117.269 114.184 3.085 18399
3732 1 11 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.832 0.060 18399
3733 1 11 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.255 1.555 18399
3734 1 11 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.958 0.143 18399
3735 1 11 . 1 1 28 28 ASN H H 22 7.829 7.829 8.560 -0.731 18399
3736 1 11 . 1 1 29 29 THR N N 23 108.639 108.639 114.151 -5.512 18399
3737 1 11 . 1 1 29 29 THR HA H 23 5.206 5.206 3.864 1.342 18399
3738 1 11 . 1 1 29 29 THR CA C 23 59.830 59.830 65.988 -6.158 18399
3739 1 11 . 1 1 29 29 THR CB C 23 72.396 72.396 67.647 4.749 18399
3740 1 11 . 1 1 29 29 THR H H 23 9.145 9.145 8.140 1.005 18399
3741 1 11 . 1 1 30 30 ILE N N 24 120.336 120.336 122.457 -2.121 18399
3742 1 11 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.858 -0.172 18399
3743 1 11 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.088 -3.509 18399
3744 1 11 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.774 -4.430 18399
3745 1 11 . 1 1 30 30 ILE H H 24 8.477 8.477 8.131 0.346 18399
3746 1 11 . 1 1 31 31 ALA N N 25 123.489 123.489 122.645 0.844 18399
3747 1 11 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.071 -0.200 18399
3748 1 11 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.316 0.640 18399
3749 1 11 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.933 0.227 18399
3750 1 11 . 1 1 31 31 ALA H H 25 8.951 8.951 7.712 1.239 18399
3751 1 11 . 1 1 32 32 GLU N N 26 120.101 120.101 118.934 1.167 18399
3752 1 11 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.101 -0.086 18399
3753 1 11 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.171 0.180 18399
3754 1 11 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.253 -0.531 18399
3755 1 11 . 1 1 32 32 GLU H H 26 7.988 7.988 8.569 -0.581 18399
3756 1 11 . 1 1 33 33 LEU N N 27 124.025 124.025 120.234 3.791 18399
3757 1 11 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.022 0.011 18399
3758 1 11 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.728 0.934 18399
3759 1 11 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.178 -2.021 18399
3760 1 11 . 1 1 33 33 LEU H H 27 8.083 8.083 7.639 0.444 18399
3761 1 11 . 1 1 34 34 LYS N N 28 119.471 119.471 118.491 0.980 18399
3762 1 11 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.128 -0.329 18399
3763 1 11 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.600 1.910 18399
3764 1 11 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.665 0.183 18399
3765 1 11 . 1 1 34 34 LYS H H 28 8.746 8.746 8.625 0.121 18399
3766 1 11 . 1 1 35 35 GLY N N 29 106.034 106.034 107.899 -1.865 18399
3767 1 11 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.861 0.181 18399
3768 1 11 . 1 1 35 35 GLY H H 29 8.096 8.096 8.406 -0.310 18399
3769 1 11 . 1 1 36 36 LYS N N 30 121.196 121.196 122.073 -0.877 18399
3770 1 11 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.129 0.108 18399
3771 1 11 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.719 -1.377 18399
3772 1 11 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.371 -1.838 18399
3773 1 11 . 1 1 36 36 LYS H H 30 7.704 7.704 7.834 -0.130 18399
3774 1 11 . 1 1 37 37 LEU N N 31 121.657 121.657 120.730 0.927 18399
3775 1 11 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.009 0.286 18399
3776 1 11 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.062 -0.780 18399
3777 1 11 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.095 0.097 18399
3778 1 11 . 1 1 37 37 LEU H H 31 7.948 7.948 7.933 0.015 18399
3779 1 11 . 1 1 38 38 GLU N N 32 123.295 123.295 118.476 4.819 18399
3780 1 11 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.978 0.377 18399
3781 1 11 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399
3782 1 11 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.019 0.320 18399
3783 1 11 . 1 1 38 38 GLU H H 32 8.714 8.714 8.088 0.626 18399
3784 1 11 . 1 1 39 39 GLU N N 33 118.296 118.296 119.788 -1.492 18399
3785 1 11 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.095 -0.109 18399
3786 1 11 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.767 0.375 18399
3787 1 11 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.445 0.157 18399
3788 1 11 . 1 1 39 39 GLU H H 33 7.470 7.470 7.971 -0.501 18399
3789 1 11 . 1 1 40 40 SER N N 34 112.266 112.266 114.320 -2.054 18399
3790 1 11 . 1 1 40 40 SER CA C 34 61.150 61.150 60.988 0.162 18399
3791 1 11 . 1 1 40 40 SER CB C 34 63.578 63.578 63.233 0.345 18399
3792 1 11 . 1 1 40 40 SER H H 34 8.054 8.054 7.750 0.304 18399
3793 1 11 . 1 1 41 41 GLU N N 35 116.449 116.449 118.515 -2.066 18399
3794 1 11 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.370 -0.003 18399
3795 1 11 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.530 -1.474 18399
3796 1 11 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.347 0.197 18399
3797 1 11 . 1 1 41 41 GLU H H 35 8.908 8.908 7.772 1.136 18399
3798 1 11 . 1 1 42 42 GLY N N 36 108.168 108.168 108.790 -0.622 18399
3799 1 11 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.089 0.335 18399
3800 1 11 . 1 1 42 42 GLY H H 36 7.930 7.930 8.024 -0.094 18399
3801 1 11 . 1 1 43 43 ILE N N 37 120.326 120.326 116.878 3.448 18399
3802 1 11 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.556 -0.827 18399
3803 1 11 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.337 1.882 18399
3804 1 11 . 1 1 43 43 ILE H H 37 6.446 6.446 7.263 -0.817 18399
3805 1 11 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.615 -0.439 18399
3806 1 11 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.563 0.455 18399
3807 1 11 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.701 -0.542 18399
3808 1 11 . 1 1 45 45 GLY N N 39 111.710 111.710 110.363 1.347 18399
3809 1 11 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.814 0.792 18399
3810 1 11 . 1 1 45 45 GLY H H 39 9.228 9.228 8.775 0.453 18399
3811 1 11 . 1 1 46 46 ASN N N 40 114.967 114.967 114.906 0.061 18399
3812 1 11 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.653 -0.141 18399
3813 1 11 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.235 1.238 18399
3814 1 11 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.280 -1.770 18399
3815 1 11 . 1 1 46 46 ASN H H 40 8.325 8.325 7.960 0.365 18399
3816 1 11 . 1 1 47 47 MET N N 41 118.446 118.446 119.395 -0.949 18399
3817 1 11 . 1 1 47 47 MET HA H 41 4.557 4.557 4.477 0.080 18399
3818 1 11 . 1 1 47 47 MET CA C 41 54.886 54.886 56.554 -1.668 18399
3819 1 11 . 1 1 47 47 MET CB C 41 32.632 32.632 33.759 -1.127 18399
3820 1 11 . 1 1 47 47 MET H H 41 8.247 8.247 7.880 0.367 18399
3821 1 11 . 1 1 48 48 ILE N N 42 119.569 119.569 117.163 2.406 18399
3822 1 11 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.802 0.294 18399
3823 1 11 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.751 0.998 18399
3824 1 11 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.927 4.509 18399
3825 1 11 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399
3826 1 11 . 1 1 49 49 ARG N N 43 127.179 127.179 121.443 5.736 18399
3827 1 11 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.567 0.013 18399
3828 1 11 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.441 -0.479 18399
3829 1 11 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.581 -1.552 18399
3830 1 11 . 1 1 49 49 ARG H H 43 8.967 8.967 8.005 0.962 18399
3831 1 11 . 1 1 50 50 LEU N N 44 122.639 122.639 121.619 1.020 18399
3832 1 11 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.081 0.326 18399
3833 1 11 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.270 -0.575 18399
3834 1 11 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.564 3.091 18399
3835 1 11 . 1 1 50 50 LEU H H 44 8.603 8.603 8.442 0.161 18399
3836 1 11 . 1 1 51 51 VAL N N 45 121.931 121.931 118.588 3.343 18399
3837 1 11 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.852 -0.144 18399
3838 1 11 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.394 0.189 18399
3839 1 11 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.514 2.087 18399
3840 1 11 . 1 1 51 51 VAL H H 45 8.960 8.960 8.601 0.359 18399
3841 1 11 . 1 1 52 52 TYR N N 46 126.384 126.384 128.254 -1.870 18399
3842 1 11 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.781 0.308 18399
3843 1 11 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.135 -0.060 18399
3844 1 11 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.828 1.841 18399
3845 1 11 . 1 1 52 52 TYR H H 46 8.879 8.879 8.863 0.016 18399
3846 1 11 . 1 1 53 53 GLN N N 47 127.041 127.041 128.184 -1.143 18399
3847 1 11 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.009 -0.353 18399
3848 1 11 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.691 -0.417 18399
3849 1 11 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.508 -2.067 18399
3850 1 11 . 1 1 53 53 GLN H H 47 9.323 9.323 9.467 -0.144 18399
3851 1 11 . 1 1 54 54 GLY N N 48 102.991 102.991 102.356 0.635 18399
3852 1 11 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.212 0.161 18399
3853 1 11 . 1 1 54 54 GLY H H 48 8.358 8.358 8.609 -0.251 18399
3854 1 11 . 1 1 55 55 LYS N N 49 121.595 121.595 120.976 0.619 18399
3855 1 11 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.645 -0.028 18399
3856 1 11 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.232 -0.892 18399
3857 1 11 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.634 -0.433 18399
3858 1 11 . 1 1 55 55 LYS H H 49 7.819 7.819 7.987 -0.168 18399
3859 1 11 . 1 1 56 56 GLN N N 50 122.484 122.484 119.448 3.036 18399
3860 1 11 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.767 -0.182 18399
3861 1 11 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.661 1.117 18399
3862 1 11 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.846 -2.145 18399
3863 1 11 . 1 1 56 56 GLN H H 50 8.757 8.757 8.465 0.292 18399
3864 1 11 . 1 1 57 57 LEU N N 51 125.130 125.130 120.105 5.025 18399
3865 1 11 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.980 0.320 18399
3866 1 11 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.146 -1.007 18399
3867 1 11 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.339 0.886 18399
3868 1 11 . 1 1 57 57 LEU H H 51 8.442 8.442 8.845 -0.403 18399
3869 1 11 . 1 1 58 58 GLU N N 52 122.551 122.551 120.727 1.824 18399
3870 1 11 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.466 -0.007 18399
3871 1 11 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.810 -0.700 18399
3872 1 11 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.304 0.742 18399
3873 1 11 . 1 1 58 58 GLU H H 52 8.125 8.125 8.725 -0.600 18399
3874 1 11 . 1 1 59 59 ASP N N 53 122.235 122.235 122.084 0.151 18399
3875 1 11 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.358 -0.213 18399
3876 1 11 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.910 -0.211 18399
3877 1 11 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.773 0.238 18399
3878 1 11 . 1 1 59 59 ASP H H 53 8.346 8.346 8.753 -0.407 18399
3879 1 11 . 1 1 60 60 GLU N N 54 113.128 113.128 117.338 -4.210 18399
3880 1 11 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.110 0.205 18399
3881 1 11 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.195 -0.859 18399
3882 1 11 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.589 -0.547 18399
3883 1 11 . 1 1 60 60 GLU H H 54 8.756 8.756 8.494 0.262 18399
3884 1 11 . 1 1 61 61 LYS N N 55 119.869 119.869 119.190 0.679 18399
3885 1 11 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.383 -0.132 18399
3886 1 11 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.684 1.273 18399
3887 1 11 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.364 1.580 18399
3888 1 11 . 1 1 61 61 LYS H H 55 7.677 7.677 7.746 -0.069 18399
3889 1 11 . 1 1 62 62 ARG N N 56 117.724 117.724 120.187 -2.463 18399
3890 1 11 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.174 0.550 18399
3891 1 11 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.735 2.385 18399
3892 1 11 . 1 1 62 62 ARG H H 56 8.797 8.797 7.668 1.129 18399
3893 1 11 . 1 1 63 63 LEU N N 57 123.223 123.223 121.769 1.454 18399
3894 1 11 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.220 -0.182 18399
3895 1 11 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.420 2.004 18399
3896 1 11 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.710 -1.312 18399
3897 1 11 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399
3898 1 11 . 1 1 64 64 LYS N N 58 114.073 114.073 118.494 -4.421 18399
3899 1 11 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.992 0.417 18399
3900 1 11 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.117 -1.284 18399
3901 1 11 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.590 -0.466 18399
3902 1 11 . 1 1 64 64 LYS H H 58 8.681 8.681 8.263 0.418 18399
3903 1 11 . 1 1 65 65 ASP N N 59 120.640 120.640 118.896 1.744 18399
3904 1 11 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.526 -0.107 18399
3905 1 11 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.771 0.735 18399
3906 1 11 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.908 -0.860 18399
3907 1 11 . 1 1 65 65 ASP H H 59 7.862 7.862 8.113 -0.251 18399
3908 1 11 . 1 1 66 66 TYR N N 60 117.775 117.775 119.547 -1.772 18399
3909 1 11 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.264 0.352 18399
3910 1 11 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.353 -2.204 18399
3911 1 11 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.889 0.440 18399
3912 1 11 . 1 1 66 66 TYR H H 60 7.545 7.545 7.986 -0.441 18399
3913 1 11 . 1 1 67 67 GLN N N 61 117.450 117.450 116.490 0.960 18399
3914 1 11 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.027 0.156 18399
3915 1 11 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.772 -0.155 18399
3916 1 11 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.253 -1.675 18399
3917 1 11 . 1 1 67 67 GLN H H 61 8.155 8.155 7.846 0.309 18399
3918 1 11 . 1 1 68 68 MET N N 62 120.193 120.193 117.917 2.276 18399
3919 1 11 . 1 1 68 68 MET HA H 62 4.470 4.470 4.406 0.064 18399
3920 1 11 . 1 1 68 68 MET CA C 62 55.767 55.767 55.756 0.011 18399
3921 1 11 . 1 1 68 68 MET CB C 62 33.105 33.105 32.519 0.586 18399
3922 1 11 . 1 1 68 68 MET H H 62 7.997 7.997 7.390 0.607 18399
3923 1 11 . 1 1 69 69 SER N N 63 116.722 116.722 112.260 4.462 18399
3924 1 11 . 1 1 69 69 SER HA H 63 4.530 4.530 4.218 0.312 18399
3925 1 11 . 1 1 69 69 SER CA C 63 57.654 57.654 59.536 -1.882 18399
3926 1 11 . 1 1 69 69 SER CB C 63 64.803 64.803 62.336 2.467 18399
3927 1 11 . 1 1 69 69 SER H H 63 8.073 8.073 8.656 -0.583 18399
3928 1 11 . 1 1 70 70 ALA N N 64 123.286 123.286 120.572 2.714 18399
3929 1 11 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.466 -0.210 18399
3930 1 11 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.008 1.558 18399
3931 1 11 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.304 -1.062 18399
3932 1 11 . 1 1 70 70 ALA H H 64 8.492 8.492 8.048 0.444 18399
3933 1 11 . 1 1 71 71 GLY N N 65 110.294 110.294 108.134 2.160 18399
3934 1 11 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.711 0.416 18399
3935 1 11 . 1 1 71 71 GLY H H 65 8.907 8.907 8.019 0.888 18399
3936 1 11 . 1 1 72 72 ALA N N 66 123.229 123.229 128.333 -5.104 18399
3937 1 11 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.220 0.068 18399
3938 1 11 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.205 0.672 18399
3939 1 11 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.429 0.397 18399
3940 1 11 . 1 1 72 72 ALA H H 66 7.572 7.572 8.630 -1.058 18399
3941 1 11 . 1 1 73 73 THR N N 67 116.161 116.161 115.296 0.865 18399
3942 1 11 . 1 1 73 73 THR HA H 67 5.060 5.060 4.391 0.669 18399
3943 1 11 . 1 1 73 73 THR CA C 67 61.493 61.493 60.158 1.335 18399
3944 1 11 . 1 1 73 73 THR CB C 67 71.022 71.022 71.105 -0.083 18399
3945 1 11 . 1 1 73 73 THR H H 67 8.253 8.253 8.672 -0.419 18399
3946 1 11 . 1 1 74 74 PHE N N 68 124.518 124.518 126.411 -1.893 18399
3947 1 11 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.169 0.200 18399
3948 1 11 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.071 -2.058 18399
3949 1 11 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.728 -0.835 18399
3950 1 11 . 1 1 74 74 PHE H H 68 8.989 8.989 8.344 0.645 18399
3951 1 11 . 1 1 75 75 HIS N N 69 120.835 120.835 127.095 -6.260 18399
3952 1 11 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.813 0.333 18399
3953 1 11 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.013 1.118 18399
3954 1 11 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.225 0.359 18399
3955 1 11 . 1 1 75 75 HIS H H 69 9.300 9.300 8.697 0.603 18399
3956 1 11 . 1 1 76 76 MET N N 70 122.731 122.731 122.363 0.368 18399
3957 1 11 . 1 1 76 76 MET HA H 70 5.199 5.199 4.656 0.543 18399
3958 1 11 . 1 1 76 76 MET CA C 70 54.683 54.683 54.835 -0.152 18399
3959 1 11 . 1 1 76 76 MET CB C 70 35.426 35.426 35.623 -0.197 18399
3960 1 11 . 1 1 76 76 MET H H 70 8.563 8.563 8.346 0.217 18399
3961 1 11 . 1 1 77 77 VAL N N 71 128.801 128.801 127.108 1.693 18399
3962 1 11 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.285 -0.008 18399
3963 1 11 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.336 0.007 18399
3964 1 11 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.603 1.053 18399
3965 1 11 . 1 1 77 77 VAL H H 71 9.118 9.118 8.405 0.713 18399
3966 1 11 . 1 1 78 78 VAL N N 72 125.528 125.528 128.280 -2.752 18399
3967 1 11 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.304 0.314 18399
3968 1 11 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.859 0.626 18399
3969 1 11 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.202 0.109 18399
3970 1 11 . 1 1 78 78 VAL H H 72 8.544 8.544 8.282 0.262 18399
3971 1 11 . 1 1 79 79 ALA N N 73 131.664 131.664 131.916 -0.252 18399
3972 1 11 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.538 -0.215 18399
3973 1 11 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.345 0.401 18399
3974 1 11 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.762 0.683 18399
3975 1 11 . 1 1 79 79 ALA H H 73 8.957 8.957 8.349 0.608 18399
3976 1 11 . 1 1 80 80 LEU N N 74 120.722 120.722 119.120 1.602 18399
3977 1 11 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.087 0.192 18399
3978 1 11 . 1 1 80 80 LEU CA C 74 55.191 55.191 56.504 -1.313 18399
3979 1 11 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.036 1.320 18399
3980 1 11 . 1 1 80 80 LEU H H 74 8.193 8.193 8.608 -0.415 18399
3981 1 11 . 1 1 81 81 ARG N N 75 121.022 121.022 122.553 -1.531 18399
3982 1 11 . 1 1 81 81 ARG HA H 75 4.294 4.294 5.082 -0.788 18399
3983 1 11 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.256 -0.652 18399
3984 1 11 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.579 -0.723 18399
3985 1 11 . 1 1 81 81 ARG H H 75 8.207 8.207 8.115 0.092 18399
3986 1 11 . 1 1 82 82 ALA N N 76 125.815 125.815 121.928 3.887 18399
3987 1 11 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.593 -0.315 18399
3988 1 11 . 1 1 82 82 ALA CA C 76 52.478 52.478 53.026 -0.548 18399
3989 1 11 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.935 -1.122 18399
3990 1 11 . 1 1 82 82 ALA H H 76 8.471 8.471 8.693 -0.222 18399
3991 1 11 . 1 1 83 83 GLY N N 77 109.110 109.110 107.760 1.350 18399
3992 1 11 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.904 0.432 18399
3993 1 11 . 1 1 83 83 GLY H H 77 8.506 8.506 8.477 0.029 18399
3994 1 12 . 1 1 8 8 LEU N N 2 125.142 125.142 121.345 3.797 18399
3995 1 12 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.969 -0.495 18399
3996 1 12 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.918 1.357 18399
3997 1 12 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.362 -1.460 18399
3998 1 12 . 1 1 8 8 LEU H H 2 8.251 8.251 7.724 0.527 18399
3999 1 12 . 1 1 9 9 LEU N N 3 126.326 126.326 121.971 4.355 18399
4000 1 12 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399
4001 1 12 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.320 -0.277 18399
4002 1 12 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.063 -1.555 18399
4003 1 12 . 1 1 9 9 LEU H H 3 8.307 8.307 7.945 0.362 18399
4004 1 12 . 1 1 10 10 LYS N N 4 121.349 121.349 123.703 -2.354 18399
4005 1 12 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.116 -0.036 18399
4006 1 12 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.602 0.030 18399
4007 1 12 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.209 0.216 18399
4008 1 12 . 1 1 10 10 LYS H H 4 8.428 8.428 8.441 -0.013 18399
4009 1 12 . 1 1 11 11 VAL N N 5 122.408 122.408 122.976 -0.568 18399
4010 1 12 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.785 -0.097 18399
4011 1 12 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.438 0.888 18399
4012 1 12 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.726 1.104 18399
4013 1 12 . 1 1 11 11 VAL H H 5 9.088 9.088 8.424 0.664 18399
4014 1 12 . 1 1 12 12 LYS N N 6 127.778 127.778 124.962 2.816 18399
4015 1 12 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.000 0.352 18399
4016 1 12 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.834 0.841 18399
4017 1 12 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.117 0.067 18399
4018 1 12 . 1 1 12 12 LYS H H 6 9.029 9.029 8.428 0.601 18399
4019 1 12 . 1 1 13 13 THR N N 7 116.723 116.723 118.897 -2.174 18399
4020 1 12 . 1 1 13 13 THR HA H 7 4.860 4.860 4.738 0.122 18399
4021 1 12 . 1 1 13 13 THR CA C 7 60.392 60.392 60.847 -0.455 18399
4022 1 12 . 1 1 13 13 THR CB C 7 71.189 71.189 70.293 0.896 18399
4023 1 12 . 1 1 13 13 THR H H 7 8.790 8.790 8.158 0.632 18399
4024 1 12 . 1 1 14 14 VAL N N 8 119.340 119.340 122.264 -2.924 18399
4025 1 12 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.142 -0.039 18399
4026 1 12 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.099 0.613 18399
4027 1 12 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.613 -0.453 18399
4028 1 12 . 1 1 14 14 VAL H H 8 8.872 8.872 8.876 -0.004 18399
4029 1 12 . 1 1 15 15 SER N N 9 114.630 114.630 114.710 -0.080 18399
4030 1 12 . 1 1 15 15 SER HA H 9 4.513 4.513 4.475 0.038 18399
4031 1 12 . 1 1 15 15 SER CA C 9 57.913 57.913 58.357 -0.444 18399
4032 1 12 . 1 1 15 15 SER CB C 9 63.243 63.243 62.946 0.297 18399
4033 1 12 . 1 1 15 15 SER H H 9 7.859 7.859 8.010 -0.151 18399
4034 1 12 . 1 1 16 16 ASN N N 10 115.509 115.509 117.128 -1.619 18399
4035 1 12 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.371 -0.179 18399
4036 1 12 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.458 0.503 18399
4037 1 12 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.509 -1.214 18399
4038 1 12 . 1 1 16 16 ASN H H 10 8.229 8.229 7.881 0.348 18399
4039 1 12 . 1 1 17 17 LYS N N 11 120.345 120.345 120.021 0.324 18399
4040 1 12 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.410 -0.155 18399
4041 1 12 . 1 1 17 17 LYS CA C 11 56.347 56.347 54.942 1.405 18399
4042 1 12 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.877 0.059 18399
4043 1 12 . 1 1 17 17 LYS H H 11 7.315 7.315 7.516 -0.201 18399
4044 1 12 . 1 1 18 18 VAL N N 12 125.270 125.270 124.697 0.573 18399
4045 1 12 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.567 0.070 18399
4046 1 12 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.244 0.505 18399
4047 1 12 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.552 -0.360 18399
4048 1 12 . 1 1 18 18 VAL H H 12 8.576 8.576 8.164 0.412 18399
4049 1 12 . 1 1 19 19 ILE N N 13 130.928 130.928 127.995 2.933 18399
4050 1 12 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.330 -0.177 18399
4051 1 12 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.537 0.908 18399
4052 1 12 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.997 0.198 18399
4053 1 12 . 1 1 19 19 ILE H H 13 9.486 9.486 8.670 0.816 18399
4054 1 12 . 1 1 20 20 GLN N N 14 124.762 124.762 128.388 -3.626 18399
4055 1 12 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.774 0.288 18399
4056 1 12 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.828 -0.034 18399
4057 1 12 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.752 -0.150 18399
4058 1 12 . 1 1 20 20 GLN H H 14 8.803 8.803 8.544 0.259 18399
4059 1 12 . 1 1 21 21 ILE N N 15 126.010 126.010 123.493 2.517 18399
4060 1 12 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.697 -0.184 18399
4061 1 12 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.557 0.082 18399
4062 1 12 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.858 -1.687 18399
4063 1 12 . 1 1 21 21 ILE H H 15 9.076 9.076 8.219 0.857 18399
4064 1 12 . 1 1 22 22 THR N N 16 118.074 118.074 114.043 4.031 18399
4065 1 12 . 1 1 22 22 THR HA H 16 4.904 4.904 4.531 0.373 18399
4066 1 12 . 1 1 22 22 THR CA C 16 61.462 61.462 61.049 0.413 18399
4067 1 12 . 1 1 22 22 THR CB C 16 69.657 69.657 68.278 1.379 18399
4068 1 12 . 1 1 22 22 THR H H 16 9.047 9.047 8.436 0.611 18399
4069 1 12 . 1 1 23 23 SER N N 17 113.130 113.130 116.839 -3.709 18399
4070 1 12 . 1 1 23 23 SER HA H 17 4.440 4.440 4.603 -0.163 18399
4071 1 12 . 1 1 23 23 SER CA C 17 58.002 58.002 58.502 -0.500 18399
4072 1 12 . 1 1 23 23 SER CB C 17 64.268 64.268 63.690 0.578 18399
4073 1 12 . 1 1 23 23 SER H H 17 7.330 7.330 8.112 -0.782 18399
4074 1 12 . 1 1 24 24 LEU N N 18 123.241 123.241 124.818 -1.577 18399
4075 1 12 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.700 0.039 18399
4076 1 12 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.878 -0.020 18399
4077 1 12 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.114 -1.624 18399
4078 1 12 . 1 1 24 24 LEU H H 18 8.728 8.728 8.328 0.400 18399
4079 1 12 . 1 1 25 25 THR N N 19 111.915 111.915 115.149 -3.234 18399
4080 1 12 . 1 1 25 25 THR HA H 19 4.816 4.816 4.316 0.500 18399
4081 1 12 . 1 1 25 25 THR CA C 19 59.575 59.575 61.390 -1.815 18399
4082 1 12 . 1 1 25 25 THR CB C 19 72.043 72.043 69.977 2.066 18399
4083 1 12 . 1 1 25 25 THR H H 19 9.363 9.363 8.235 1.128 18399
4084 1 12 . 1 1 26 26 ASP N N 20 117.183 117.183 115.419 1.764 18399
4085 1 12 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.672 -0.339 18399
4086 1 12 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.551 2.178 18399
4087 1 12 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.201 -1.819 18399
4088 1 12 . 1 1 26 26 ASP H H 20 8.785 8.785 8.120 0.665 18399
4089 1 12 . 1 1 27 27 ASP N N 21 116.327 116.327 117.789 -1.462 18399
4090 1 12 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.563 0.111 18399
4091 1 12 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.489 -0.719 18399
4092 1 12 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.529 0.765 18399
4093 1 12 . 1 1 27 27 ASP H H 21 7.775 7.775 8.123 -0.348 18399
4094 1 12 . 1 1 28 28 ASN N N 22 117.269 117.269 114.334 2.935 18399
4095 1 12 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.802 0.090 18399
4096 1 12 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.670 1.140 18399
4097 1 12 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.941 1.160 18399
4098 1 12 . 1 1 28 28 ASN H H 22 7.829 7.829 8.168 -0.339 18399
4099 1 12 . 1 1 29 29 THR N N 23 108.639 108.639 114.556 -5.917 18399
4100 1 12 . 1 1 29 29 THR HA H 23 5.206 5.206 3.790 1.416 18399
4101 1 12 . 1 1 29 29 THR CA C 23 59.830 59.830 66.141 -6.311 18399
4102 1 12 . 1 1 29 29 THR CB C 23 72.396 72.396 67.892 4.504 18399
4103 1 12 . 1 1 29 29 THR H H 23 9.145 9.145 7.896 1.249 18399
4104 1 12 . 1 1 30 30 ILE N N 24 120.336 120.336 122.323 -1.987 18399
4105 1 12 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.876 -0.190 18399
4106 1 12 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.059 -3.479 18399
4107 1 12 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.861 -4.517 18399
4108 1 12 . 1 1 30 30 ILE H H 24 8.477 8.477 8.134 0.343 18399
4109 1 12 . 1 1 31 31 ALA N N 25 123.489 123.489 122.545 0.944 18399
4110 1 12 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.190 -0.319 18399
4111 1 12 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.330 0.626 18399
4112 1 12 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.151 0.009 18399
4113 1 12 . 1 1 31 31 ALA H H 25 8.951 8.951 7.710 1.241 18399
4114 1 12 . 1 1 32 32 GLU N N 26 120.101 120.101 119.420 0.681 18399
4115 1 12 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.168 -0.153 18399
4116 1 12 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.264 0.087 18399
4117 1 12 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.311 -0.588 18399
4118 1 12 . 1 1 32 32 GLU H H 26 7.988 7.988 8.519 -0.531 18399
4119 1 12 . 1 1 33 33 LEU N N 27 124.025 124.025 120.400 3.625 18399
4120 1 12 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.097 -0.064 18399
4121 1 12 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.767 0.894 18399
4122 1 12 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.690 -1.533 18399
4123 1 12 . 1 1 33 33 LEU H H 27 8.083 8.083 7.707 0.376 18399
4124 1 12 . 1 1 34 34 LYS N N 28 119.471 119.471 118.819 0.652 18399
4125 1 12 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.176 -0.377 18399
4126 1 12 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.757 1.753 18399
4127 1 12 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.669 0.179 18399
4128 1 12 . 1 1 34 34 LYS H H 28 8.746 8.746 8.709 0.037 18399
4129 1 12 . 1 1 35 35 GLY N N 29 106.034 106.034 107.860 -1.826 18399
4130 1 12 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.877 0.165 18399
4131 1 12 . 1 1 35 35 GLY H H 29 8.096 8.096 8.432 -0.336 18399
4132 1 12 . 1 1 36 36 LYS N N 30 121.196 121.196 122.468 -1.272 18399
4133 1 12 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.162 0.075 18399
4134 1 12 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.833 -1.490 18399
4135 1 12 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.415 -1.882 18399
4136 1 12 . 1 1 36 36 LYS H H 30 7.704 7.704 7.829 -0.125 18399
4137 1 12 . 1 1 37 37 LEU N N 31 121.657 121.657 120.832 0.825 18399
4138 1 12 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.993 0.302 18399
4139 1 12 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.302 -1.020 18399
4140 1 12 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.159 0.033 18399
4141 1 12 . 1 1 37 37 LEU H H 31 7.948 7.948 8.148 -0.200 18399
4142 1 12 . 1 1 38 38 GLU N N 32 123.295 123.295 118.661 4.634 18399
4143 1 12 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.026 0.328 18399
4144 1 12 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.840 0.465 18399
4145 1 12 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.812 0.527 18399
4146 1 12 . 1 1 38 38 GLU H H 32 8.714 8.714 8.170 0.544 18399
4147 1 12 . 1 1 39 39 GLU N N 33 118.296 118.296 119.481 -1.185 18399
4148 1 12 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.072 -0.085 18399
4149 1 12 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.721 0.420 18399
4150 1 12 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.644 -0.042 18399
4151 1 12 . 1 1 39 39 GLU H H 33 7.470 7.470 7.851 -0.381 18399
4152 1 12 . 1 1 40 40 SER N N 34 112.266 112.266 114.424 -2.158 18399
4153 1 12 . 1 1 40 40 SER CA C 34 61.150 61.150 60.963 0.187 18399
4154 1 12 . 1 1 40 40 SER CB C 34 63.578 63.578 63.176 0.402 18399
4155 1 12 . 1 1 40 40 SER H H 34 8.054 8.054 7.803 0.251 18399
4156 1 12 . 1 1 41 41 GLU N N 35 116.449 116.449 118.764 -2.315 18399
4157 1 12 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.360 0.007 18399
4158 1 12 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.732 -1.676 18399
4159 1 12 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.201 0.343 18399
4160 1 12 . 1 1 41 41 GLU H H 35 8.908 8.908 7.798 1.110 18399
4161 1 12 . 1 1 42 42 GLY N N 36 108.168 108.168 108.648 -0.480 18399
4162 1 12 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.113 0.311 18399
4163 1 12 . 1 1 42 42 GLY H H 36 7.930 7.930 7.732 0.198 18399
4164 1 12 . 1 1 43 43 ILE N N 37 120.326 120.326 116.312 4.014 18399
4165 1 12 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.590 -0.860 18399
4166 1 12 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.441 1.778 18399
4167 1 12 . 1 1 43 43 ILE H H 37 6.446 6.446 7.242 -0.796 18399
4168 1 12 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.618 -0.442 18399
4169 1 12 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.597 0.421 18399
4170 1 12 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.666 -0.507 18399
4171 1 12 . 1 1 45 45 GLY N N 39 111.710 111.710 110.413 1.297 18399
4172 1 12 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.600 1.006 18399
4173 1 12 . 1 1 45 45 GLY H H 39 9.228 9.228 8.643 0.585 18399
4174 1 12 . 1 1 46 46 ASN N N 40 114.967 114.967 114.287 0.680 18399
4175 1 12 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.659 -0.147 18399
4176 1 12 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.395 1.078 18399
4177 1 12 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.084 -1.573 18399
4178 1 12 . 1 1 46 46 ASN H H 40 8.325 8.325 8.042 0.283 18399
4179 1 12 . 1 1 47 47 MET N N 41 118.446 118.446 119.271 -0.825 18399
4180 1 12 . 1 1 47 47 MET HA H 41 4.557 4.557 4.512 0.045 18399
4181 1 12 . 1 1 47 47 MET CA C 41 54.886 54.886 56.364 -1.478 18399
4182 1 12 . 1 1 47 47 MET CB C 41 32.632 32.632 33.506 -0.874 18399
4183 1 12 . 1 1 47 47 MET H H 41 8.247 8.247 8.006 0.241 18399
4184 1 12 . 1 1 48 48 ILE N N 42 119.569 119.569 117.057 2.512 18399
4185 1 12 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.792 0.304 18399
4186 1 12 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.097 0.652 18399
4187 1 12 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.507 3.929 18399
4188 1 12 . 1 1 48 48 ILE H H 42 7.422 7.422 7.866 -0.444 18399
4189 1 12 . 1 1 49 49 ARG N N 43 127.179 127.179 120.807 6.372 18399
4190 1 12 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.658 -0.078 18399
4191 1 12 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.188 -0.226 18399
4192 1 12 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.675 -0.646 18399
4193 1 12 . 1 1 49 49 ARG H H 43 8.967 8.967 7.867 1.100 18399
4194 1 12 . 1 1 50 50 LEU N N 44 122.639 122.639 122.153 0.486 18399
4195 1 12 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.299 0.108 18399
4196 1 12 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.365 -0.670 18399
4197 1 12 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.606 3.049 18399
4198 1 12 . 1 1 50 50 LEU H H 44 8.603 8.603 8.486 0.117 18399
4199 1 12 . 1 1 51 51 VAL N N 45 121.931 121.931 118.459 3.472 18399
4200 1 12 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.835 -0.127 18399
4201 1 12 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.296 0.287 18399
4202 1 12 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.753 1.848 18399
4203 1 12 . 1 1 51 51 VAL H H 45 8.960 8.960 8.225 0.735 18399
4204 1 12 . 1 1 52 52 TYR N N 46 126.384 126.384 128.111 -1.727 18399
4205 1 12 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.810 0.279 18399
4206 1 12 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.138 -0.063 18399
4207 1 12 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.887 1.782 18399
4208 1 12 . 1 1 52 52 TYR H H 46 8.879 8.879 8.860 0.019 18399
4209 1 12 . 1 1 53 53 GLN N N 47 127.041 127.041 128.039 -0.998 18399
4210 1 12 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.052 -0.396 18399
4211 1 12 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.626 -0.352 18399
4212 1 12 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.489 -2.048 18399
4213 1 12 . 1 1 53 53 GLN H H 47 9.323 9.323 9.538 -0.215 18399
4214 1 12 . 1 1 54 54 GLY N N 48 102.991 102.991 102.774 0.217 18399
4215 1 12 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.030 0.343 18399
4216 1 12 . 1 1 54 54 GLY H H 48 8.358 8.358 8.631 -0.273 18399
4217 1 12 . 1 1 55 55 LYS N N 49 121.595 121.595 120.900 0.695 18399
4218 1 12 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.639 -0.022 18399
4219 1 12 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.026 -0.686 18399
4220 1 12 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.611 -0.410 18399
4221 1 12 . 1 1 55 55 LYS H H 49 7.819 7.819 7.989 -0.170 18399
4222 1 12 . 1 1 56 56 GLN N N 50 122.484 122.484 119.286 3.198 18399
4223 1 12 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.636 -0.051 18399
4224 1 12 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.712 1.066 18399
4225 1 12 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.798 -2.097 18399
4226 1 12 . 1 1 56 56 GLN H H 50 8.757 8.757 8.390 0.367 18399
4227 1 12 . 1 1 57 57 LEU N N 51 125.130 125.130 120.812 4.318 18399
4228 1 12 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.100 0.200 18399
4229 1 12 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.969 -1.830 18399
4230 1 12 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.299 0.926 18399
4231 1 12 . 1 1 57 57 LEU H H 51 8.442 8.442 8.765 -0.323 18399
4232 1 12 . 1 1 58 58 GLU N N 52 122.551 122.551 120.687 1.864 18399
4233 1 12 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.469 -0.010 18399
4234 1 12 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.230 -0.120 18399
4235 1 12 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.476 0.570 18399
4236 1 12 . 1 1 58 58 GLU H H 52 8.125 8.125 8.634 -0.509 18399
4237 1 12 . 1 1 59 59 ASP N N 53 122.235 122.235 122.077 0.158 18399
4238 1 12 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.376 -0.231 18399
4239 1 12 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.864 -0.165 18399
4240 1 12 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.876 0.135 18399
4241 1 12 . 1 1 59 59 ASP H H 53 8.346 8.346 8.670 -0.324 18399
4242 1 12 . 1 1 60 60 GLU N N 54 113.128 113.128 116.703 -3.575 18399
4243 1 12 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.110 0.205 18399
4244 1 12 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.166 -0.830 18399
4245 1 12 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.544 -0.502 18399
4246 1 12 . 1 1 60 60 GLU H H 54 8.756 8.756 8.534 0.222 18399
4247 1 12 . 1 1 61 61 LYS N N 55 119.869 119.869 119.204 0.665 18399
4248 1 12 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.385 -0.134 18399
4249 1 12 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.657 1.300 18399
4250 1 12 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.373 1.571 18399
4251 1 12 . 1 1 61 61 LYS H H 55 7.677 7.677 7.725 -0.048 18399
4252 1 12 . 1 1 62 62 ARG N N 56 117.724 117.724 120.211 -2.487 18399
4253 1 12 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399
4254 1 12 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.729 2.391 18399
4255 1 12 . 1 1 62 62 ARG H H 56 8.797 8.797 7.671 1.126 18399
4256 1 12 . 1 1 63 63 LEU N N 57 123.223 123.223 121.743 1.480 18399
4257 1 12 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.225 -0.187 18399
4258 1 12 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.395 2.029 18399
4259 1 12 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.713 -1.315 18399
4260 1 12 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399
4261 1 12 . 1 1 64 64 LYS N N 58 114.073 114.073 118.564 -4.491 18399
4262 1 12 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.991 0.418 18399
4263 1 12 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.131 -1.297 18399
4264 1 12 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.601 -0.477 18399
4265 1 12 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399
4266 1 12 . 1 1 65 65 ASP N N 59 120.640 120.640 118.960 1.680 18399
4267 1 12 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.515 -0.096 18399
4268 1 12 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.739 0.767 18399
4269 1 12 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.863 -0.815 18399
4270 1 12 . 1 1 65 65 ASP H H 59 7.862 7.862 8.140 -0.278 18399
4271 1 12 . 1 1 66 66 TYR N N 60 117.775 117.775 119.846 -2.071 18399
4272 1 12 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.259 0.357 18399
4273 1 12 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.298 -2.148 18399
4274 1 12 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.986 0.343 18399
4275 1 12 . 1 1 66 66 TYR H H 60 7.545 7.545 8.002 -0.457 18399
4276 1 12 . 1 1 67 67 GLN N N 61 117.450 117.450 117.596 -0.146 18399
4277 1 12 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.973 0.210 18399
4278 1 12 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.202 -0.585 18399
4279 1 12 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.489 -1.911 18399
4280 1 12 . 1 1 67 67 GLN H H 61 8.155 8.155 7.779 0.376 18399
4281 1 12 . 1 1 68 68 MET N N 62 120.193 120.193 118.125 2.068 18399
4282 1 12 . 1 1 68 68 MET HA H 62 4.470 4.470 4.374 0.096 18399
4283 1 12 . 1 1 68 68 MET CA C 62 55.767 55.767 55.779 -0.012 18399
4284 1 12 . 1 1 68 68 MET CB C 62 33.105 33.105 32.674 0.431 18399
4285 1 12 . 1 1 68 68 MET H H 62 7.997 7.997 7.416 0.581 18399
4286 1 12 . 1 1 69 69 SER N N 63 116.722 116.722 112.395 4.327 18399
4287 1 12 . 1 1 69 69 SER HA H 63 4.530 4.530 4.251 0.279 18399
4288 1 12 . 1 1 69 69 SER CA C 63 57.654 57.654 59.843 -2.188 18399
4289 1 12 . 1 1 69 69 SER CB C 63 64.803 64.803 62.146 2.657 18399
4290 1 12 . 1 1 69 69 SER H H 63 8.073 8.073 8.653 -0.580 18399
4291 1 12 . 1 1 70 70 ALA N N 64 123.286 123.286 120.096 3.190 18399
4292 1 12 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.426 -0.170 18399
4293 1 12 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.094 1.472 18399
4294 1 12 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.473 -1.231 18399
4295 1 12 . 1 1 70 70 ALA H H 64 8.492 8.492 8.055 0.437 18399
4296 1 12 . 1 1 71 71 GLY N N 65 110.294 110.294 107.755 2.539 18399
4297 1 12 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.575 0.552 18399
4298 1 12 . 1 1 71 71 GLY H H 65 8.907 8.907 8.106 0.801 18399
4299 1 12 . 1 1 72 72 ALA N N 66 123.229 123.229 128.539 -5.310 18399
4300 1 12 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.205 0.083 18399
4301 1 12 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.181 0.695 18399
4302 1 12 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.455 0.371 18399
4303 1 12 . 1 1 72 72 ALA H H 66 7.572 7.572 8.637 -1.065 18399
4304 1 12 . 1 1 73 73 THR N N 67 116.161 116.161 115.076 1.085 18399
4305 1 12 . 1 1 73 73 THR HA H 67 5.060 5.060 4.449 0.611 18399
4306 1 12 . 1 1 73 73 THR CA C 67 61.493 61.493 60.056 1.437 18399
4307 1 12 . 1 1 73 73 THR CB C 67 71.022 71.022 71.031 -0.009 18399
4308 1 12 . 1 1 73 73 THR H H 67 8.253 8.253 8.489 -0.236 18399
4309 1 12 . 1 1 74 74 PHE N N 68 124.518 124.518 126.142 -1.624 18399
4310 1 12 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.034 0.335 18399
4311 1 12 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.391 -2.378 18399
4312 1 12 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.196 -1.303 18399
4313 1 12 . 1 1 74 74 PHE H H 68 8.989 8.989 8.391 0.598 18399
4314 1 12 . 1 1 75 75 HIS N N 69 120.835 120.835 126.764 -5.929 18399
4315 1 12 . 1 1 75 75 HIS HA H 69 5.146 5.146 5.129 0.017 18399
4316 1 12 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.533 0.598 18399
4317 1 12 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.395 0.189 18399
4318 1 12 . 1 1 75 75 HIS H H 69 9.300 9.300 8.892 0.408 18399
4319 1 12 . 1 1 76 76 MET N N 70 122.731 122.731 122.778 -0.047 18399
4320 1 12 . 1 1 76 76 MET HA H 70 5.199 5.199 4.972 0.227 18399
4321 1 12 . 1 1 76 76 MET CA C 70 54.683 54.683 54.835 -0.152 18399
4322 1 12 . 1 1 76 76 MET CB C 70 35.426 35.426 36.336 -0.910 18399
4323 1 12 . 1 1 76 76 MET H H 70 8.563 8.563 8.441 0.122 18399
4324 1 12 . 1 1 77 77 VAL N N 71 128.801 128.801 126.210 2.591 18399
4325 1 12 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.523 -0.246 18399
4326 1 12 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.921 1.422 18399
4327 1 12 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.815 0.841 18399
4328 1 12 . 1 1 77 77 VAL H H 71 9.118 9.118 8.728 0.390 18399
4329 1 12 . 1 1 78 78 VAL N N 72 125.528 125.528 128.816 -3.288 18399
4330 1 12 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.248 0.370 18399
4331 1 12 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.788 -0.303 18399
4332 1 12 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.055 1.256 18399
4333 1 12 . 1 1 78 78 VAL H H 72 8.544 8.544 8.519 0.025 18399
4334 1 12 . 1 1 79 79 ALA N N 73 131.664 131.664 132.217 -0.553 18399
4335 1 12 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.525 -0.202 18399
4336 1 12 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.025 0.721 18399
4337 1 12 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.058 0.387 18399
4338 1 12 . 1 1 79 79 ALA H H 73 8.957 8.957 8.461 0.496 18399
4339 1 12 . 1 1 80 80 LEU N N 74 120.722 120.722 119.765 0.957 18399
4340 1 12 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.006 0.273 18399
4341 1 12 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.520 -0.329 18399
4342 1 12 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.405 0.951 18399
4343 1 12 . 1 1 80 80 LEU H H 74 8.193 8.193 8.362 -0.169 18399
4344 1 12 . 1 1 81 81 ARG N N 75 121.022 121.022 121.653 -0.631 18399
4345 1 12 . 1 1 81 81 ARG HA H 75 4.294 4.294 5.206 -0.912 18399
4346 1 12 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.299 -0.695 18399
4347 1 12 . 1 1 81 81 ARG CB C 75 30.856 30.856 32.168 -1.312 18399
4348 1 12 . 1 1 81 81 ARG H H 75 8.207 8.207 8.518 -0.311 18399
4349 1 12 . 1 1 82 82 ALA N N 76 125.815 125.815 121.892 3.923 18399
4350 1 12 . 1 1 82 82 ALA HA H 76 4.278 4.278 5.036 -0.758 18399
4351 1 12 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.420 1.058 18399
4352 1 12 . 1 1 82 82 ALA CB C 76 18.813 18.813 21.297 -2.484 18399
4353 1 12 . 1 1 82 82 ALA H H 76 8.471 8.471 8.698 -0.227 18399
4354 1 12 . 1 1 83 83 GLY N N 77 109.110 109.110 108.533 0.577 18399
4355 1 12 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.065 0.271 18399
4356 1 12 . 1 1 83 83 GLY H H 77 8.506 8.506 8.765 -0.259 18399
4357 1 13 . 1 1 8 8 LEU N N 2 125.142 125.142 121.638 3.504 18399
4358 1 13 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.107 -0.633 18399
4359 1 13 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.873 1.402 18399
4360 1 13 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.125 -1.223 18399
4361 1 13 . 1 1 8 8 LEU H H 2 8.251 8.251 7.742 0.509 18399
4362 1 13 . 1 1 9 9 LEU N N 3 126.326 126.326 121.776 4.550 18399
4363 1 13 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.935 -0.139 18399
4364 1 13 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.316 -0.272 18399
4365 1 13 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.018 -1.510 18399
4366 1 13 . 1 1 9 9 LEU H H 3 8.307 8.307 7.986 0.321 18399
4367 1 13 . 1 1 10 10 LYS N N 4 121.349 121.349 123.416 -2.067 18399
4368 1 13 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.054 0.026 18399
4369 1 13 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.778 -0.146 18399
4370 1 13 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.778 0.647 18399
4371 1 13 . 1 1 10 10 LYS H H 4 8.428 8.428 8.607 -0.179 18399
4372 1 13 . 1 1 11 11 VAL N N 5 122.408 122.408 122.423 -0.015 18399
4373 1 13 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.794 -0.106 18399
4374 1 13 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.930 0.396 18399
4375 1 13 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.555 1.275 18399
4376 1 13 . 1 1 11 11 VAL H H 5 9.088 9.088 8.670 0.418 18399
4377 1 13 . 1 1 12 12 LYS N N 6 127.778 127.778 125.960 1.818 18399
4378 1 13 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.188 0.164 18399
4379 1 13 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.007 0.668 18399
4380 1 13 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.979 -0.795 18399
4381 1 13 . 1 1 12 12 LYS H H 6 9.029 9.029 8.515 0.514 18399
4382 1 13 . 1 1 13 13 THR N N 7 116.723 116.723 118.691 -1.968 18399
4383 1 13 . 1 1 13 13 THR HA H 7 4.860 4.860 4.426 0.434 18399
4384 1 13 . 1 1 13 13 THR CA C 7 60.392 60.392 60.494 -0.102 18399
4385 1 13 . 1 1 13 13 THR CB C 7 71.189 71.189 70.183 1.006 18399
4386 1 13 . 1 1 13 13 THR H H 7 8.790 8.790 8.300 0.490 18399
4387 1 13 . 1 1 14 14 VAL N N 8 119.340 119.340 121.322 -1.982 18399
4388 1 13 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.949 0.154 18399
4389 1 13 . 1 1 14 14 VAL CA C 8 64.712 64.712 63.993 0.719 18399
4390 1 13 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.360 -0.200 18399
4391 1 13 . 1 1 14 14 VAL H H 8 8.872 8.872 8.498 0.374 18399
4392 1 13 . 1 1 15 15 SER N N 9 114.630 114.630 113.931 0.699 18399
4393 1 13 . 1 1 15 15 SER HA H 9 4.513 4.513 4.472 0.041 18399
4394 1 13 . 1 1 15 15 SER CA C 9 57.913 57.913 58.515 -0.602 18399
4395 1 13 . 1 1 15 15 SER CB C 9 63.243 63.243 62.827 0.416 18399
4396 1 13 . 1 1 15 15 SER H H 9 7.859 7.859 7.985 -0.126 18399
4397 1 13 . 1 1 16 16 ASN N N 10 115.509 115.509 118.184 -2.675 18399
4398 1 13 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.447 -0.255 18399
4399 1 13 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.612 0.349 18399
4400 1 13 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.629 -1.334 18399
4401 1 13 . 1 1 16 16 ASN H H 10 8.229 8.229 7.882 0.347 18399
4402 1 13 . 1 1 17 17 LYS N N 11 120.345 120.345 119.958 0.387 18399
4403 1 13 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.443 -0.188 18399
4404 1 13 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.087 1.260 18399
4405 1 13 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.971 -0.035 18399
4406 1 13 . 1 1 17 17 LYS H H 11 7.315 7.315 7.567 -0.252 18399
4407 1 13 . 1 1 18 18 VAL N N 12 125.270 125.270 124.945 0.325 18399
4408 1 13 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.701 -0.064 18399
4409 1 13 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.242 0.507 18399
4410 1 13 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.613 -0.421 18399
4411 1 13 . 1 1 18 18 VAL H H 12 8.576 8.576 8.264 0.312 18399
4412 1 13 . 1 1 19 19 ILE N N 13 130.928 130.928 127.918 3.010 18399
4413 1 13 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.418 -0.265 18399
4414 1 13 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.407 1.038 18399
4415 1 13 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.890 0.305 18399
4416 1 13 . 1 1 19 19 ILE H H 13 9.486 9.486 8.972 0.514 18399
4417 1 13 . 1 1 20 20 GLN N N 14 124.762 124.762 126.803 -2.041 18399
4418 1 13 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.818 0.244 18399
4419 1 13 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.861 -0.066 18399
4420 1 13 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.148 0.454 18399
4421 1 13 . 1 1 20 20 GLN H H 14 8.803 8.803 8.469 0.334 18399
4422 1 13 . 1 1 21 21 ILE N N 15 126.010 126.010 120.695 5.315 18399
4423 1 13 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.661 -0.148 18399
4424 1 13 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.746 -0.107 18399
4425 1 13 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.684 -1.514 18399
4426 1 13 . 1 1 21 21 ILE H H 15 9.076 9.076 8.117 0.959 18399
4427 1 13 . 1 1 22 22 THR N N 16 118.074 118.074 117.997 0.077 18399
4428 1 13 . 1 1 22 22 THR HA H 16 4.904 4.904 4.586 0.318 18399
4429 1 13 . 1 1 22 22 THR CA C 16 61.462 61.462 61.422 0.040 18399
4430 1 13 . 1 1 22 22 THR CB C 16 69.657 69.657 68.316 1.341 18399
4431 1 13 . 1 1 22 22 THR H H 16 9.047 9.047 8.485 0.562 18399
4432 1 13 . 1 1 23 23 SER N N 17 113.130 113.130 118.331 -5.201 18399
4433 1 13 . 1 1 23 23 SER HA H 17 4.440 4.440 4.543 -0.103 18399
4434 1 13 . 1 1 23 23 SER CA C 17 58.002 58.002 58.656 -0.654 18399
4435 1 13 . 1 1 23 23 SER CB C 17 64.268 64.268 63.685 0.583 18399
4436 1 13 . 1 1 23 23 SER H H 17 7.330 7.330 7.822 -0.492 18399
4437 1 13 . 1 1 24 24 LEU N N 18 123.241 123.241 125.556 -2.315 18399
4438 1 13 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.741 -0.002 18399
4439 1 13 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.608 -0.749 18399
4440 1 13 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.845 -2.355 18399
4441 1 13 . 1 1 24 24 LEU H H 18 8.728 8.728 8.188 0.540 18399
4442 1 13 . 1 1 25 25 THR N N 19 111.915 111.915 114.765 -2.850 18399
4443 1 13 . 1 1 25 25 THR HA H 19 4.816 4.816 4.370 0.446 18399
4444 1 13 . 1 1 25 25 THR CA C 19 59.575 59.575 60.531 -0.956 18399
4445 1 13 . 1 1 25 25 THR CB C 19 72.043 72.043 70.603 1.440 18399
4446 1 13 . 1 1 25 25 THR H H 19 9.363 9.363 8.311 1.052 18399
4447 1 13 . 1 1 26 26 ASP N N 20 117.183 117.183 116.378 0.805 18399
4448 1 13 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.645 -0.312 18399
4449 1 13 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.860 1.869 18399
4450 1 13 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.054 -1.672 18399
4451 1 13 . 1 1 26 26 ASP H H 20 8.785 8.785 8.467 0.318 18399
4452 1 13 . 1 1 27 27 ASP N N 21 116.327 116.327 118.872 -2.545 18399
4453 1 13 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.586 0.088 18399
4454 1 13 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.548 -1.778 18399
4455 1 13 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.016 0.278 18399
4456 1 13 . 1 1 27 27 ASP H H 21 7.775 7.775 8.341 -0.566 18399
4457 1 13 . 1 1 28 28 ASN N N 22 117.269 117.269 113.189 4.080 18399
4458 1 13 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.800 0.092 18399
4459 1 13 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.160 1.651 18399
4460 1 13 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.983 0.118 18399
4461 1 13 . 1 1 28 28 ASN H H 22 7.829 7.829 8.514 -0.685 18399
4462 1 13 . 1 1 29 29 THR N N 23 108.639 108.639 114.917 -6.278 18399
4463 1 13 . 1 1 29 29 THR HA H 23 5.206 5.206 3.880 1.326 18399
4464 1 13 . 1 1 29 29 THR CA C 23 59.830 59.830 66.067 -6.237 18399
4465 1 13 . 1 1 29 29 THR CB C 23 72.396 72.396 67.831 4.565 18399
4466 1 13 . 1 1 29 29 THR H H 23 9.145 9.145 8.169 0.976 18399
4467 1 13 . 1 1 30 30 ILE N N 24 120.336 120.336 122.818 -2.482 18399
4468 1 13 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.863 -0.177 18399
4469 1 13 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.097 -3.517 18399
4470 1 13 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.728 -4.384 18399
4471 1 13 . 1 1 30 30 ILE H H 24 8.477 8.477 8.237 0.240 18399
4472 1 13 . 1 1 31 31 ALA N N 25 123.489 123.489 122.557 0.932 18399
4473 1 13 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.068 -0.197 18399
4474 1 13 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.334 0.622 18399
4475 1 13 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.920 0.240 18399
4476 1 13 . 1 1 31 31 ALA H H 25 8.951 8.951 7.718 1.233 18399
4477 1 13 . 1 1 32 32 GLU N N 26 120.101 120.101 119.131 0.970 18399
4478 1 13 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.157 -0.142 18399
4479 1 13 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.082 0.269 18399
4480 1 13 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.245 -0.523 18399
4481 1 13 . 1 1 32 32 GLU H H 26 7.988 7.988 8.555 -0.567 18399
4482 1 13 . 1 1 33 33 LEU N N 27 124.025 124.025 120.275 3.750 18399
4483 1 13 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.029 0.004 18399
4484 1 13 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.753 0.909 18399
4485 1 13 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.178 -2.022 18399
4486 1 13 . 1 1 33 33 LEU H H 27 8.083 8.083 7.773 0.310 18399
4487 1 13 . 1 1 34 34 LYS N N 28 119.471 119.471 118.560 0.911 18399
4488 1 13 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.194 -0.395 18399
4489 1 13 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.493 2.017 18399
4490 1 13 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.724 0.124 18399
4491 1 13 . 1 1 34 34 LYS H H 28 8.746 8.746 8.635 0.111 18399
4492 1 13 . 1 1 35 35 GLY N N 29 106.034 106.034 107.854 -1.820 18399
4493 1 13 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.842 0.200 18399
4494 1 13 . 1 1 35 35 GLY H H 29 8.096 8.096 8.465 -0.369 18399
4495 1 13 . 1 1 36 36 LYS N N 30 121.196 121.196 122.072 -0.876 18399
4496 1 13 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.119 0.118 18399
4497 1 13 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.944 -1.602 18399
4498 1 13 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.431 -1.898 18399
4499 1 13 . 1 1 36 36 LYS H H 30 7.704 7.704 7.849 -0.145 18399
4500 1 13 . 1 1 37 37 LEU N N 31 121.657 121.657 121.072 0.585 18399
4501 1 13 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.051 0.244 18399
4502 1 13 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.967 -0.685 18399
4503 1 13 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.272 -0.080 18399
4504 1 13 . 1 1 37 37 LEU H H 31 7.948 7.948 7.997 -0.049 18399
4505 1 13 . 1 1 38 38 GLU N N 32 123.295 123.295 118.339 4.956 18399
4506 1 13 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.982 0.372 18399
4507 1 13 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.838 0.466 18399
4508 1 13 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.042 0.297 18399
4509 1 13 . 1 1 38 38 GLU H H 32 8.714 8.714 8.026 0.688 18399
4510 1 13 . 1 1 39 39 GLU N N 33 118.296 118.296 119.557 -1.261 18399
4511 1 13 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.112 -0.126 18399
4512 1 13 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.627 0.514 18399
4513 1 13 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.606 -0.004 18399
4514 1 13 . 1 1 39 39 GLU H H 33 7.470 7.470 7.917 -0.447 18399
4515 1 13 . 1 1 40 40 SER N N 34 112.266 112.266 114.809 -2.543 18399
4516 1 13 . 1 1 40 40 SER CA C 34 61.150 61.150 61.052 0.098 18399
4517 1 13 . 1 1 40 40 SER CB C 34 63.578 63.578 63.252 0.327 18399
4518 1 13 . 1 1 40 40 SER H H 34 8.054 8.054 7.803 0.251 18399
4519 1 13 . 1 1 41 41 GLU N N 35 116.449 116.449 120.109 -3.660 18399
4520 1 13 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.383 -0.016 18399
4521 1 13 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.533 -1.478 18399
4522 1 13 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.964 0.580 18399
4523 1 13 . 1 1 41 41 GLU H H 35 8.908 8.908 7.817 1.091 18399
4524 1 13 . 1 1 42 42 GLY N N 36 108.168 108.168 108.393 -0.225 18399
4525 1 13 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.153 0.271 18399
4526 1 13 . 1 1 42 42 GLY H H 36 7.930 7.930 7.666 0.264 18399
4527 1 13 . 1 1 43 43 ILE N N 37 120.326 120.326 117.905 2.421 18399
4528 1 13 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.710 -0.980 18399
4529 1 13 . 1 1 43 43 ILE CB C 37 41.219 41.219 38.894 2.325 18399
4530 1 13 . 1 1 43 43 ILE H H 37 6.446 6.446 7.429 -0.983 18399
4531 1 13 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.618 -0.442 18399
4532 1 13 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.658 0.360 18399
4533 1 13 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.618 -0.459 18399
4534 1 13 . 1 1 45 45 GLY N N 39 111.710 111.710 110.495 1.215 18399
4535 1 13 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.669 0.937 18399
4536 1 13 . 1 1 45 45 GLY H H 39 9.228 9.228 8.630 0.598 18399
4537 1 13 . 1 1 46 46 ASN N N 40 114.967 114.967 114.735 0.232 18399
4538 1 13 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.667 -0.155 18399
4539 1 13 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.632 0.841 18399
4540 1 13 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.450 -1.940 18399
4541 1 13 . 1 1 46 46 ASN H H 40 8.325 8.325 8.023 0.302 18399
4542 1 13 . 1 1 47 47 MET N N 41 118.446 118.446 119.073 -0.627 18399
4543 1 13 . 1 1 47 47 MET HA H 41 4.557 4.557 4.511 0.046 18399
4544 1 13 . 1 1 47 47 MET CA C 41 54.886 54.886 56.144 -1.258 18399
4545 1 13 . 1 1 47 47 MET CB C 41 32.632 32.632 33.968 -1.336 18399
4546 1 13 . 1 1 47 47 MET H H 41 8.247 8.247 7.960 0.287 18399
4547 1 13 . 1 1 48 48 ILE N N 42 119.569 119.569 115.951 3.618 18399
4548 1 13 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.757 0.339 18399
4549 1 13 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.004 0.745 18399
4550 1 13 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.319 4.117 18399
4551 1 13 . 1 1 48 48 ILE H H 42 7.422 7.422 7.913 -0.491 18399
4552 1 13 . 1 1 49 49 ARG N N 43 127.179 127.179 121.471 5.708 18399
4553 1 13 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.652 -0.072 18399
4554 1 13 . 1 1 49 49 ARG CA C 43 53.962 53.962 53.832 0.130 18399
4555 1 13 . 1 1 49 49 ARG CB C 43 31.029 31.029 30.617 0.412 18399
4556 1 13 . 1 1 49 49 ARG H H 43 8.967 8.967 7.922 1.045 18399
4557 1 13 . 1 1 50 50 LEU N N 44 122.639 122.639 121.582 1.057 18399
4558 1 13 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.282 0.125 18399
4559 1 13 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.174 -0.479 18399
4560 1 13 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.072 2.583 18399
4561 1 13 . 1 1 50 50 LEU H H 44 8.603 8.603 8.509 0.094 18399
4562 1 13 . 1 1 51 51 VAL N N 45 121.931 121.931 119.187 2.744 18399
4563 1 13 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.879 -0.171 18399
4564 1 13 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.914 0.669 18399
4565 1 13 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.692 -0.091 18399
4566 1 13 . 1 1 51 51 VAL H H 45 8.960 8.960 8.321 0.639 18399
4567 1 13 . 1 1 52 52 TYR N N 46 126.384 126.384 129.373 -2.989 18399
4568 1 13 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.894 0.195 18399
4569 1 13 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.580 -0.505 18399
4570 1 13 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.946 1.723 18399
4571 1 13 . 1 1 52 52 TYR H H 46 8.879 8.879 9.058 -0.179 18399
4572 1 13 . 1 1 53 53 GLN N N 47 127.041 127.041 128.217 -1.176 18399
4573 1 13 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.978 -0.322 18399
4574 1 13 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.627 -0.353 18399
4575 1 13 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.796 -2.355 18399
4576 1 13 . 1 1 53 53 GLN H H 47 9.323 9.323 9.438 -0.115 18399
4577 1 13 . 1 1 54 54 GLY N N 48 102.991 102.991 101.897 1.094 18399
4578 1 13 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.282 0.091 18399
4579 1 13 . 1 1 54 54 GLY H H 48 8.358 8.358 8.556 -0.198 18399
4580 1 13 . 1 1 55 55 LYS N N 49 121.595 121.595 120.746 0.849 18399
4581 1 13 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.664 -0.047 18399
4582 1 13 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.058 -0.718 18399
4583 1 13 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.716 -0.515 18399
4584 1 13 . 1 1 55 55 LYS H H 49 7.819 7.819 8.002 -0.183 18399
4585 1 13 . 1 1 56 56 GLN N N 50 122.484 122.484 119.524 2.960 18399
4586 1 13 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.665 -0.080 18399
4587 1 13 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.655 1.123 18399
4588 1 13 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.998 -2.297 18399
4589 1 13 . 1 1 56 56 GLN H H 50 8.757 8.757 8.424 0.333 18399
4590 1 13 . 1 1 57 57 LEU N N 51 125.130 125.130 120.947 4.183 18399
4591 1 13 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.092 0.208 18399
4592 1 13 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.463 -1.324 18399
4593 1 13 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.333 0.892 18399
4594 1 13 . 1 1 57 57 LEU H H 51 8.442 8.442 8.770 -0.328 18399
4595 1 13 . 1 1 58 58 GLU N N 52 122.551 122.551 120.380 2.171 18399
4596 1 13 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.476 -0.017 18399
4597 1 13 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.240 -0.130 18399
4598 1 13 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.234 0.812 18399
4599 1 13 . 1 1 58 58 GLU H H 52 8.125 8.125 8.527 -0.402 18399
4600 1 13 . 1 1 59 59 ASP N N 53 122.235 122.235 121.581 0.654 18399
4601 1 13 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.327 -0.182 18399
4602 1 13 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.102 -0.403 18399
4603 1 13 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.855 0.156 18399
4604 1 13 . 1 1 59 59 ASP H H 53 8.346 8.346 8.775 -0.429 18399
4605 1 13 . 1 1 60 60 GLU N N 54 113.128 113.128 117.403 -4.275 18399
4606 1 13 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.112 0.203 18399
4607 1 13 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.312 -0.976 18399
4608 1 13 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.546 -0.504 18399
4609 1 13 . 1 1 60 60 GLU H H 54 8.756 8.756 8.495 0.261 18399
4610 1 13 . 1 1 61 61 LYS N N 55 119.869 119.869 119.445 0.424 18399
4611 1 13 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.372 -0.121 18399
4612 1 13 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.576 1.381 18399
4613 1 13 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.356 1.588 18399
4614 1 13 . 1 1 61 61 LYS H H 55 7.677 7.677 7.780 -0.103 18399
4615 1 13 . 1 1 62 62 ARG N N 56 117.724 117.724 120.197 -2.473 18399
4616 1 13 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.159 0.565 18399
4617 1 13 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.713 2.406 18399
4618 1 13 . 1 1 62 62 ARG H H 56 8.797 8.797 7.657 1.140 18399
4619 1 13 . 1 1 63 63 LEU N N 57 123.223 123.223 121.764 1.459 18399
4620 1 13 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.197 -0.159 18399
4621 1 13 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.452 1.972 18399
4622 1 13 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.688 -1.290 18399
4623 1 13 . 1 1 63 63 LEU H H 57 8.728 8.728 8.417 0.311 18399
4624 1 13 . 1 1 64 64 LYS N N 58 114.073 114.073 118.581 -4.508 18399
4625 1 13 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.981 0.428 18399
4626 1 13 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.202 -1.368 18399
4627 1 13 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.630 -0.506 18399
4628 1 13 . 1 1 64 64 LYS H H 58 8.681 8.681 8.225 0.456 18399
4629 1 13 . 1 1 65 65 ASP N N 59 120.640 120.640 119.393 1.247 18399
4630 1 13 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.519 -0.100 18399
4631 1 13 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.092 0.414 18399
4632 1 13 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.836 -0.788 18399
4633 1 13 . 1 1 65 65 ASP H H 59 7.862 7.862 8.129 -0.267 18399
4634 1 13 . 1 1 66 66 TYR N N 60 117.775 117.775 119.525 -1.750 18399
4635 1 13 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.249 0.367 18399
4636 1 13 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.387 -2.237 18399
4637 1 13 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.944 0.385 18399
4638 1 13 . 1 1 66 66 TYR H H 60 7.545 7.545 7.995 -0.450 18399
4639 1 13 . 1 1 67 67 GLN N N 61 117.450 117.450 117.581 -0.131 18399
4640 1 13 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.018 0.165 18399
4641 1 13 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.034 -0.417 18399
4642 1 13 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.669 -2.091 18399
4643 1 13 . 1 1 67 67 GLN H H 61 8.155 8.155 7.669 0.486 18399
4644 1 13 . 1 1 68 68 MET N N 62 120.193 120.193 118.231 1.962 18399
4645 1 13 . 1 1 68 68 MET HA H 62 4.470 4.470 4.390 0.080 18399
4646 1 13 . 1 1 68 68 MET CA C 62 55.767 55.767 55.683 0.084 18399
4647 1 13 . 1 1 68 68 MET CB C 62 33.105 33.105 32.713 0.392 18399
4648 1 13 . 1 1 68 68 MET H H 62 7.997 7.997 7.418 0.579 18399
4649 1 13 . 1 1 69 69 SER N N 63 116.722 116.722 111.762 4.960 18399
4650 1 13 . 1 1 69 69 SER HA H 63 4.530 4.530 4.166 0.364 18399
4651 1 13 . 1 1 69 69 SER CA C 63 57.654 57.654 59.688 -2.034 18399
4652 1 13 . 1 1 69 69 SER CB C 63 64.803 64.803 61.808 2.995 18399
4653 1 13 . 1 1 69 69 SER H H 63 8.073 8.073 8.522 -0.449 18399
4654 1 13 . 1 1 70 70 ALA N N 64 123.286 123.286 119.304 3.982 18399
4655 1 13 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.537 -0.281 18399
4656 1 13 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.264 1.302 18399
4657 1 13 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.520 -1.278 18399
4658 1 13 . 1 1 70 70 ALA H H 64 8.492 8.492 7.862 0.630 18399
4659 1 13 . 1 1 71 71 GLY N N 65 110.294 110.294 108.306 1.988 18399
4660 1 13 . 1 1 71 71 GLY CA C 65 45.127 45.127 45.159 -0.032 18399
4661 1 13 . 1 1 71 71 GLY H H 65 8.907 8.907 7.909 0.998 18399
4662 1 13 . 1 1 72 72 ALA N N 66 123.229 123.229 128.140 -4.911 18399
4663 1 13 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.208 0.080 18399
4664 1 13 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.159 0.717 18399
4665 1 13 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.426 0.400 18399
4666 1 13 . 1 1 72 72 ALA H H 66 7.572 7.572 8.612 -1.040 18399
4667 1 13 . 1 1 73 73 THR N N 67 116.161 116.161 114.801 1.360 18399
4668 1 13 . 1 1 73 73 THR HA H 67 5.060 5.060 4.506 0.554 18399
4669 1 13 . 1 1 73 73 THR CA C 67 61.493 61.493 60.288 1.205 18399
4670 1 13 . 1 1 73 73 THR CB C 67 71.022 71.022 71.208 -0.186 18399
4671 1 13 . 1 1 73 73 THR H H 67 8.253 8.253 8.591 -0.338 18399
4672 1 13 . 1 1 74 74 PHE N N 68 124.518 124.518 126.337 -1.819 18399
4673 1 13 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.217 0.152 18399
4674 1 13 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.282 -2.268 18399
4675 1 13 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.015 -1.122 18399
4676 1 13 . 1 1 74 74 PHE H H 68 8.989 8.989 8.371 0.618 18399
4677 1 13 . 1 1 75 75 HIS N N 69 120.835 120.835 127.006 -6.171 18399
4678 1 13 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.874 0.272 18399
4679 1 13 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.028 1.103 18399
4680 1 13 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.206 0.378 18399
4681 1 13 . 1 1 75 75 HIS H H 69 9.300 9.300 8.512 0.788 18399
4682 1 13 . 1 1 76 76 MET N N 70 122.731 122.731 122.574 0.157 18399
4683 1 13 . 1 1 76 76 MET HA H 70 5.199 5.199 4.673 0.526 18399
4684 1 13 . 1 1 76 76 MET CA C 70 54.683 54.683 54.813 -0.130 18399
4685 1 13 . 1 1 76 76 MET CB C 70 35.426 35.426 35.746 -0.320 18399
4686 1 13 . 1 1 76 76 MET H H 70 8.563 8.563 8.123 0.440 18399
4687 1 13 . 1 1 77 77 VAL N N 71 128.801 128.801 127.207 1.594 18399
4688 1 13 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.328 -0.051 18399
4689 1 13 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.881 0.462 18399
4690 1 13 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.224 1.432 18399
4691 1 13 . 1 1 77 77 VAL H H 71 9.118 9.118 8.524 0.594 18399
4692 1 13 . 1 1 78 78 VAL N N 72 125.528 125.528 128.372 -2.844 18399
4693 1 13 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.168 0.450 18399
4694 1 13 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.937 0.548 18399
4695 1 13 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.018 1.293 18399
4696 1 13 . 1 1 78 78 VAL H H 72 8.544 8.544 8.519 0.025 18399
4697 1 13 . 1 1 79 79 ALA N N 73 131.664 131.664 131.898 -0.234 18399
4698 1 13 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.628 -0.305 18399
4699 1 13 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.686 0.060 18399
4700 1 13 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.927 0.518 18399
4701 1 13 . 1 1 79 79 ALA H H 73 8.957 8.957 8.491 0.466 18399
4702 1 13 . 1 1 80 80 LEU N N 74 120.722 120.722 122.843 -2.121 18399
4703 1 13 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.593 -0.314 18399
4704 1 13 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.444 -0.253 18399
4705 1 13 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.710 -0.354 18399
4706 1 13 . 1 1 80 80 LEU H H 74 8.193 8.193 8.402 -0.209 18399
4707 1 13 . 1 1 81 81 ARG N N 75 121.022 121.022 120.248 0.774 18399
4708 1 13 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.455 -0.161 18399
4709 1 13 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.222 -0.618 18399
4710 1 13 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.199 -0.343 18399
4711 1 13 . 1 1 81 81 ARG H H 75 8.207 8.207 8.262 -0.055 18399
4712 1 13 . 1 1 82 82 ALA N N 76 125.815 125.815 121.367 4.448 18399
4713 1 13 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.450 -0.172 18399
4714 1 13 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.950 0.528 18399
4715 1 13 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.351 -1.538 18399
4716 1 13 . 1 1 82 82 ALA H H 76 8.471 8.471 7.933 0.538 18399
4717 1 13 . 1 1 83 83 GLY N N 77 109.110 109.110 107.871 1.239 18399
4718 1 13 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.121 0.215 18399
4719 1 13 . 1 1 83 83 GLY H H 77 8.506 8.506 8.326 0.180 18399
4720 1 14 . 1 1 8 8 LEU N N 2 125.142 125.142 121.736 3.406 18399
4721 1 14 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.126 -0.652 18399
4722 1 14 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.893 1.382 18399
4723 1 14 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.655 -1.753 18399
4724 1 14 . 1 1 8 8 LEU H H 2 8.251 8.251 7.683 0.568 18399
4725 1 14 . 1 1 9 9 LEU N N 3 126.326 126.326 120.969 5.357 18399
4726 1 14 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.919 -0.123 18399
4727 1 14 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.271 -0.228 18399
4728 1 14 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.060 -1.552 18399
4729 1 14 . 1 1 9 9 LEU H H 3 8.307 8.307 8.138 0.169 18399
4730 1 14 . 1 1 10 10 LYS N N 4 121.349 121.349 123.858 -2.509 18399
4731 1 14 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.991 0.089 18399
4732 1 14 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.562 0.070 18399
4733 1 14 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.026 0.399 18399
4734 1 14 . 1 1 10 10 LYS H H 4 8.428 8.428 8.478 -0.050 18399
4735 1 14 . 1 1 11 11 VAL N N 5 122.408 122.408 122.037 0.371 18399
4736 1 14 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.843 -0.155 18399
4737 1 14 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.847 0.479 18399
4738 1 14 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.599 1.231 18399
4739 1 14 . 1 1 11 11 VAL H H 5 9.088 9.088 8.483 0.605 18399
4740 1 14 . 1 1 12 12 LYS N N 6 127.778 127.778 125.710 2.068 18399
4741 1 14 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.148 0.204 18399
4742 1 14 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.675 1.000 18399
4743 1 14 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.581 -1.397 18399
4744 1 14 . 1 1 12 12 LYS H H 6 9.029 9.029 8.656 0.373 18399
4745 1 14 . 1 1 13 13 THR N N 7 116.723 116.723 117.897 -1.174 18399
4746 1 14 . 1 1 13 13 THR HA H 7 4.860 4.860 4.882 -0.022 18399
4747 1 14 . 1 1 13 13 THR CA C 7 60.392 60.392 59.934 0.458 18399
4748 1 14 . 1 1 13 13 THR CB C 7 71.189 71.189 70.437 0.752 18399
4749 1 14 . 1 1 13 13 THR H H 7 8.790 8.790 8.187 0.603 18399
4750 1 14 . 1 1 14 14 VAL N N 8 119.340 119.340 120.995 -1.655 18399
4751 1 14 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.979 0.124 18399
4752 1 14 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.991 -0.279 18399
4753 1 14 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.272 -0.112 18399
4754 1 14 . 1 1 14 14 VAL H H 8 8.872 8.872 8.346 0.526 18399
4755 1 14 . 1 1 15 15 SER N N 9 114.630 114.630 112.855 1.775 18399
4756 1 14 . 1 1 15 15 SER HA H 9 4.513 4.513 4.511 0.002 18399
4757 1 14 . 1 1 15 15 SER CA C 9 57.913 57.913 58.409 -0.496 18399
4758 1 14 . 1 1 15 15 SER CB C 9 63.243 63.243 63.228 0.015 18399
4759 1 14 . 1 1 15 15 SER H H 9 7.859 7.859 8.080 -0.221 18399
4760 1 14 . 1 1 16 16 ASN N N 10 115.509 115.509 117.484 -1.975 18399
4761 1 14 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.501 -0.309 18399
4762 1 14 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.676 0.284 18399
4763 1 14 . 1 1 16 16 ASN CB C 10 36.295 36.295 36.902 -0.607 18399
4764 1 14 . 1 1 16 16 ASN H H 10 8.229 8.229 8.161 0.068 18399
4765 1 14 . 1 1 17 17 LYS N N 11 120.345 120.345 120.093 0.252 18399
4766 1 14 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.365 -0.110 18399
4767 1 14 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.336 1.011 18399
4768 1 14 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.341 0.595 18399
4769 1 14 . 1 1 17 17 LYS H H 11 7.315 7.315 7.583 -0.268 18399
4770 1 14 . 1 1 18 18 VAL N N 12 125.270 125.270 124.859 0.411 18399
4771 1 14 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.638 -0.001 18399
4772 1 14 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.615 0.134 18399
4773 1 14 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.530 -0.338 18399
4774 1 14 . 1 1 18 18 VAL H H 12 8.576 8.576 7.915 0.661 18399
4775 1 14 . 1 1 19 19 ILE N N 13 130.928 130.928 128.126 2.802 18399
4776 1 14 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.396 -0.243 18399
4777 1 14 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.487 0.958 18399
4778 1 14 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.476 0.719 18399
4779 1 14 . 1 1 19 19 ILE H H 13 9.486 9.486 8.878 0.608 18399
4780 1 14 . 1 1 20 20 GLN N N 14 124.762 124.762 126.961 -2.199 18399
4781 1 14 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.801 0.261 18399
4782 1 14 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.627 0.168 18399
4783 1 14 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.184 0.416 18399
4784 1 14 . 1 1 20 20 GLN H H 14 8.803 8.803 8.508 0.295 18399
4785 1 14 . 1 1 21 21 ILE N N 15 126.010 126.010 120.682 5.328 18399
4786 1 14 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.601 -0.088 18399
4787 1 14 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.593 0.046 18399
4788 1 14 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.574 -1.403 18399
4789 1 14 . 1 1 21 21 ILE H H 15 9.076 9.076 8.095 0.981 18399
4790 1 14 . 1 1 22 22 THR N N 16 118.074 118.074 117.424 0.650 18399
4791 1 14 . 1 1 22 22 THR HA H 16 4.904 4.904 4.490 0.414 18399
4792 1 14 . 1 1 22 22 THR CA C 16 61.462 61.462 61.748 -0.286 18399
4793 1 14 . 1 1 22 22 THR CB C 16 69.657 69.657 68.592 1.065 18399
4794 1 14 . 1 1 22 22 THR H H 16 9.047 9.047 8.512 0.535 18399
4795 1 14 . 1 1 23 23 SER N N 17 113.130 113.130 118.466 -5.336 18399
4796 1 14 . 1 1 23 23 SER HA H 17 4.440 4.440 4.607 -0.167 18399
4797 1 14 . 1 1 23 23 SER CA C 17 58.002 58.002 58.330 -0.328 18399
4798 1 14 . 1 1 23 23 SER CB C 17 64.268 64.268 63.728 0.540 18399
4799 1 14 . 1 1 23 23 SER H H 17 7.330 7.330 8.411 -1.081 18399
4800 1 14 . 1 1 24 24 LEU N N 18 123.241 123.241 124.303 -1.062 18399
4801 1 14 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.857 -0.118 18399
4802 1 14 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.766 0.092 18399
4803 1 14 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.851 -2.361 18399
4804 1 14 . 1 1 24 24 LEU H H 18 8.728 8.728 7.883 0.845 18399
4805 1 14 . 1 1 25 25 THR N N 19 111.915 111.915 115.958 -4.043 18399
4806 1 14 . 1 1 25 25 THR HA H 19 4.816 4.816 4.371 0.445 18399
4807 1 14 . 1 1 25 25 THR CA C 19 59.575 59.575 62.060 -2.485 18399
4808 1 14 . 1 1 25 25 THR CB C 19 72.043 72.043 69.857 2.186 18399
4809 1 14 . 1 1 25 25 THR H H 19 9.363 9.363 8.355 1.008 18399
4810 1 14 . 1 1 26 26 ASP N N 20 117.183 117.183 115.283 1.900 18399
4811 1 14 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.667 -0.334 18399
4812 1 14 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.672 2.057 18399
4813 1 14 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.892 -1.510 18399
4814 1 14 . 1 1 26 26 ASP H H 20 8.785 8.785 8.346 0.439 18399
4815 1 14 . 1 1 27 27 ASP N N 21 116.327 116.327 118.770 -2.443 18399
4816 1 14 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.581 0.093 18399
4817 1 14 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.743 -1.973 18399
4818 1 14 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.099 0.195 18399
4819 1 14 . 1 1 27 27 ASP H H 21 7.775 7.775 8.364 -0.589 18399
4820 1 14 . 1 1 28 28 ASN N N 22 117.269 117.269 113.293 3.976 18399
4821 1 14 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.798 0.094 18399
4822 1 14 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.126 1.684 18399
4823 1 14 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.603 0.498 18399
4824 1 14 . 1 1 28 28 ASN H H 22 7.829 7.829 8.562 -0.733 18399
4825 1 14 . 1 1 29 29 THR N N 23 108.639 108.639 114.860 -6.221 18399
4826 1 14 . 1 1 29 29 THR HA H 23 5.206 5.206 3.841 1.365 18399
4827 1 14 . 1 1 29 29 THR CA C 23 59.830 59.830 65.810 -5.980 18399
4828 1 14 . 1 1 29 29 THR CB C 23 72.396 72.396 68.025 4.371 18399
4829 1 14 . 1 1 29 29 THR H H 23 9.145 9.145 8.165 0.980 18399
4830 1 14 . 1 1 30 30 ILE N N 24 120.336 120.336 122.264 -1.928 18399
4831 1 14 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.883 -0.197 18399
4832 1 14 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.925 -3.345 18399
4833 1 14 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.847 -4.503 18399
4834 1 14 . 1 1 30 30 ILE H H 24 8.477 8.477 8.116 0.361 18399
4835 1 14 . 1 1 31 31 ALA N N 25 123.489 123.489 122.671 0.818 18399
4836 1 14 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.071 -0.200 18399
4837 1 14 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.326 0.630 18399
4838 1 14 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.892 0.268 18399
4839 1 14 . 1 1 31 31 ALA H H 25 8.951 8.951 7.722 1.229 18399
4840 1 14 . 1 1 32 32 GLU N N 26 120.101 120.101 119.423 0.678 18399
4841 1 14 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.171 -0.156 18399
4842 1 14 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.261 0.090 18399
4843 1 14 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.297 -0.575 18399
4844 1 14 . 1 1 32 32 GLU H H 26 7.988 7.988 8.528 -0.540 18399
4845 1 14 . 1 1 33 33 LEU N N 27 124.025 124.025 120.349 3.676 18399
4846 1 14 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.101 -0.068 18399
4847 1 14 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.862 0.800 18399
4848 1 14 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.767 -1.610 18399
4849 1 14 . 1 1 33 33 LEU H H 27 8.083 8.083 7.636 0.447 18399
4850 1 14 . 1 1 34 34 LYS N N 28 119.471 119.471 118.670 0.801 18399
4851 1 14 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.130 -0.331 18399
4852 1 14 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.742 1.768 18399
4853 1 14 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.641 0.207 18399
4854 1 14 . 1 1 34 34 LYS H H 28 8.746 8.746 8.688 0.058 18399
4855 1 14 . 1 1 35 35 GLY N N 29 106.034 106.034 107.903 -1.869 18399
4856 1 14 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.883 0.159 18399
4857 1 14 . 1 1 35 35 GLY H H 29 8.096 8.096 8.424 -0.328 18399
4858 1 14 . 1 1 36 36 LYS N N 30 121.196 121.196 122.056 -0.860 18399
4859 1 14 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.143 0.094 18399
4860 1 14 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.534 -1.192 18399
4861 1 14 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.331 -1.798 18399
4862 1 14 . 1 1 36 36 LYS H H 30 7.704 7.704 7.837 -0.133 18399
4863 1 14 . 1 1 37 37 LEU N N 31 121.657 121.657 120.798 0.859 18399
4864 1 14 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.009 0.286 18399
4865 1 14 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.088 -0.806 18399
4866 1 14 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.101 0.091 18399
4867 1 14 . 1 1 37 37 LEU H H 31 7.948 7.948 7.993 -0.045 18399
4868 1 14 . 1 1 38 38 GLU N N 32 123.295 123.295 118.391 4.904 18399
4869 1 14 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.977 0.377 18399
4870 1 14 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.805 0.499 18399
4871 1 14 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.017 0.322 18399
4872 1 14 . 1 1 38 38 GLU H H 32 8.714 8.714 8.136 0.578 18399
4873 1 14 . 1 1 39 39 GLU N N 33 118.296 118.296 119.498 -1.202 18399
4874 1 14 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.116 -0.130 18399
4875 1 14 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.521 0.621 18399
4876 1 14 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.334 0.268 18399
4877 1 14 . 1 1 39 39 GLU H H 33 7.470 7.470 7.934 -0.464 18399
4878 1 14 . 1 1 40 40 SER N N 34 112.266 112.266 114.519 -2.253 18399
4879 1 14 . 1 1 40 40 SER CA C 34 61.150 61.150 60.982 0.168 18399
4880 1 14 . 1 1 40 40 SER CB C 34 63.578 63.578 63.253 0.325 18399
4881 1 14 . 1 1 40 40 SER H H 34 8.054 8.054 7.739 0.315 18399
4882 1 14 . 1 1 41 41 GLU N N 35 116.449 116.449 118.219 -1.770 18399
4883 1 14 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.400 -0.033 18399
4884 1 14 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.503 -1.447 18399
4885 1 14 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.516 0.028 18399
4886 1 14 . 1 1 41 41 GLU H H 35 8.908 8.908 7.778 1.130 18399
4887 1 14 . 1 1 42 42 GLY N N 36 108.168 108.168 108.787 -0.619 18399
4888 1 14 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.121 0.303 18399
4889 1 14 . 1 1 42 42 GLY H H 36 7.930 7.930 8.040 -0.110 18399
4890 1 14 . 1 1 43 43 ILE N N 37 120.326 120.326 117.471 2.855 18399
4891 1 14 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.568 -0.838 18399
4892 1 14 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.814 1.405 18399
4893 1 14 . 1 1 43 43 ILE H H 37 6.446 6.446 7.364 -0.918 18399
4894 1 14 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399
4895 1 14 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.557 0.461 18399
4896 1 14 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.715 -0.556 18399
4897 1 14 . 1 1 45 45 GLY N N 39 111.710 111.710 110.315 1.395 18399
4898 1 14 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.839 0.767 18399
4899 1 14 . 1 1 45 45 GLY H H 39 9.228 9.228 8.778 0.450 18399
4900 1 14 . 1 1 46 46 ASN N N 40 114.967 114.967 114.941 0.026 18399
4901 1 14 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.658 -0.146 18399
4902 1 14 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.279 1.194 18399
4903 1 14 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.235 -1.725 18399
4904 1 14 . 1 1 46 46 ASN H H 40 8.325 8.325 7.965 0.360 18399
4905 1 14 . 1 1 47 47 MET N N 41 118.446 118.446 119.500 -1.054 18399
4906 1 14 . 1 1 47 47 MET HA H 41 4.557 4.557 4.485 0.072 18399
4907 1 14 . 1 1 47 47 MET CA C 41 54.886 54.886 56.531 -1.645 18399
4908 1 14 . 1 1 47 47 MET CB C 41 32.632 32.632 33.717 -1.085 18399
4909 1 14 . 1 1 47 47 MET H H 41 8.247 8.247 7.878 0.369 18399
4910 1 14 . 1 1 48 48 ILE N N 42 119.569 119.569 117.310 2.259 18399
4911 1 14 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.765 0.331 18399
4912 1 14 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.496 1.253 18399
4913 1 14 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.923 4.513 18399
4914 1 14 . 1 1 48 48 ILE H H 42 7.422 7.422 7.862 -0.440 18399
4915 1 14 . 1 1 49 49 ARG N N 43 127.179 127.179 120.743 6.436 18399
4916 1 14 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.586 -0.006 18399
4917 1 14 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.703 -0.740 18399
4918 1 14 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.620 -1.591 18399
4919 1 14 . 1 1 49 49 ARG H H 43 8.967 8.967 7.838 1.129 18399
4920 1 14 . 1 1 50 50 LEU N N 44 122.639 122.639 121.030 1.609 18399
4921 1 14 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.080 0.327 18399
4922 1 14 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.416 -0.721 18399
4923 1 14 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.059 2.596 18399
4924 1 14 . 1 1 50 50 LEU H H 44 8.603 8.603 8.410 0.193 18399
4925 1 14 . 1 1 51 51 VAL N N 45 121.931 121.931 118.873 3.058 18399
4926 1 14 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.810 -0.102 18399
4927 1 14 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.202 -0.619 18399
4928 1 14 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.301 1.300 18399
4929 1 14 . 1 1 51 51 VAL H H 45 8.960 8.960 8.582 0.378 18399
4930 1 14 . 1 1 52 52 TYR N N 46 126.384 126.384 128.628 -2.244 18399
4931 1 14 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.819 0.270 18399
4932 1 14 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.253 -0.178 18399
4933 1 14 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.980 1.689 18399
4934 1 14 . 1 1 52 52 TYR H H 46 8.879 8.879 8.942 -0.063 18399
4935 1 14 . 1 1 53 53 GLN N N 47 127.041 127.041 128.288 -1.247 18399
4936 1 14 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.982 -0.326 18399
4937 1 14 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.526 -0.253 18399
4938 1 14 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.709 -2.268 18399
4939 1 14 . 1 1 53 53 GLN H H 47 9.323 9.323 9.533 -0.210 18399
4940 1 14 . 1 1 54 54 GLY N N 48 102.991 102.991 102.093 0.898 18399
4941 1 14 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.291 0.083 18399
4942 1 14 . 1 1 54 54 GLY H H 48 8.358 8.358 8.655 -0.297 18399
4943 1 14 . 1 1 55 55 LYS N N 49 121.595 121.595 121.271 0.324 18399
4944 1 14 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399
4945 1 14 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.772 -0.432 18399
4946 1 14 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399
4947 1 14 . 1 1 55 55 LYS H H 49 7.819 7.819 7.983 -0.164 18399
4948 1 14 . 1 1 56 56 GLN N N 50 122.484 122.484 119.348 3.136 18399
4949 1 14 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.761 -0.176 18399
4950 1 14 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.728 1.050 18399
4951 1 14 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.604 -1.903 18399
4952 1 14 . 1 1 56 56 GLN H H 50 8.757 8.757 8.376 0.381 18399
4953 1 14 . 1 1 57 57 LEU N N 51 125.130 125.130 121.317 3.813 18399
4954 1 14 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.092 0.208 18399
4955 1 14 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.591 -1.452 18399
4956 1 14 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.457 0.768 18399
4957 1 14 . 1 1 57 57 LEU H H 51 8.442 8.442 8.733 -0.291 18399
4958 1 14 . 1 1 58 58 GLU N N 52 122.551 122.551 120.584 1.967 18399
4959 1 14 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.506 -0.047 18399
4960 1 14 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.292 -0.182 18399
4961 1 14 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.410 0.636 18399
4962 1 14 . 1 1 58 58 GLU H H 52 8.125 8.125 8.638 -0.513 18399
4963 1 14 . 1 1 59 59 ASP N N 53 122.235 122.235 122.042 0.193 18399
4964 1 14 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.375 -0.230 18399
4965 1 14 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.926 -0.227 18399
4966 1 14 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.785 0.226 18399
4967 1 14 . 1 1 59 59 ASP H H 53 8.346 8.346 8.764 -0.418 18399
4968 1 14 . 1 1 60 60 GLU N N 54 113.128 113.128 117.513 -4.385 18399
4969 1 14 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.174 0.141 18399
4970 1 14 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.186 -0.850 18399
4971 1 14 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.640 -0.598 18399
4972 1 14 . 1 1 60 60 GLU H H 54 8.756 8.756 8.537 0.219 18399
4973 1 14 . 1 1 61 61 LYS N N 55 119.869 119.869 119.201 0.668 18399
4974 1 14 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.458 -0.207 18399
4975 1 14 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.700 1.257 18399
4976 1 14 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.555 1.389 18399
4977 1 14 . 1 1 61 61 LYS H H 55 7.677 7.677 7.666 0.011 18399
4978 1 14 . 1 1 62 62 ARG N N 56 117.724 117.724 120.115 -2.391 18399
4979 1 14 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.153 0.571 18399
4980 1 14 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.805 2.316 18399
4981 1 14 . 1 1 62 62 ARG H H 56 8.797 8.797 7.666 1.131 18399
4982 1 14 . 1 1 63 63 LEU N N 57 123.223 123.223 121.336 1.887 18399
4983 1 14 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.204 -0.166 18399
4984 1 14 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.436 1.988 18399
4985 1 14 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.617 -1.219 18399
4986 1 14 . 1 1 63 63 LEU H H 57 8.728 8.728 8.365 0.363 18399
4987 1 14 . 1 1 64 64 LYS N N 58 114.073 114.073 118.501 -4.428 18399
4988 1 14 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.000 0.409 18399
4989 1 14 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.072 -1.238 18399
4990 1 14 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.595 -0.471 18399
4991 1 14 . 1 1 64 64 LYS H H 58 8.681 8.681 8.272 0.409 18399
4992 1 14 . 1 1 65 65 ASP N N 59 120.640 120.640 118.675 1.965 18399
4993 1 14 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.532 -0.113 18399
4994 1 14 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.741 0.765 18399
4995 1 14 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.972 -0.924 18399
4996 1 14 . 1 1 65 65 ASP H H 59 7.862 7.862 8.090 -0.228 18399
4997 1 14 . 1 1 66 66 TYR N N 60 117.775 117.775 120.049 -2.274 18399
4998 1 14 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.233 0.383 18399
4999 1 14 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.966 -2.816 18399
5000 1 14 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.969 0.360 18399
5001 1 14 . 1 1 66 66 TYR H H 60 7.545 7.545 7.934 -0.389 18399
5002 1 14 . 1 1 67 67 GLN N N 61 117.450 117.450 117.382 0.068 18399
5003 1 14 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.106 0.077 18399
5004 1 14 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.506 -0.889 18399
5005 1 14 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.111 -1.534 18399
5006 1 14 . 1 1 67 67 GLN H H 61 8.155 8.155 8.026 0.129 18399
5007 1 14 . 1 1 68 68 MET N N 62 120.193 120.193 118.268 1.925 18399
5008 1 14 . 1 1 68 68 MET HA H 62 4.470 4.470 4.355 0.115 18399
5009 1 14 . 1 1 68 68 MET CA C 62 55.767 55.767 55.421 0.346 18399
5010 1 14 . 1 1 68 68 MET CB C 62 33.105 33.105 32.754 0.351 18399
5011 1 14 . 1 1 68 68 MET H H 62 7.997 7.997 7.372 0.625 18399
5012 1 14 . 1 1 69 69 SER N N 63 116.722 116.722 111.517 5.205 18399
5013 1 14 . 1 1 69 69 SER HA H 63 4.530 4.530 4.153 0.377 18399
5014 1 14 . 1 1 69 69 SER CA C 63 57.654 57.654 59.673 -2.019 18399
5015 1 14 . 1 1 69 69 SER CB C 63 64.803 64.803 62.262 2.541 18399
5016 1 14 . 1 1 69 69 SER H H 63 8.073 8.073 8.569 -0.496 18399
5017 1 14 . 1 1 70 70 ALA N N 64 123.286 123.286 119.433 3.853 18399
5018 1 14 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.521 -0.265 18399
5019 1 14 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.235 1.331 18399
5020 1 14 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.625 -1.383 18399
5021 1 14 . 1 1 70 70 ALA H H 64 8.492 8.492 7.936 0.556 18399
5022 1 14 . 1 1 71 71 GLY N N 65 110.294 110.294 108.149 2.145 18399
5023 1 14 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.581 0.546 18399
5024 1 14 . 1 1 71 71 GLY H H 65 8.907 8.907 8.014 0.893 18399
5025 1 14 . 1 1 72 72 ALA N N 66 123.229 123.229 128.180 -4.951 18399
5026 1 14 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.221 0.068 18399
5027 1 14 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.213 0.663 18399
5028 1 14 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399
5029 1 14 . 1 1 72 72 ALA H H 66 7.572 7.572 8.639 -1.067 18399
5030 1 14 . 1 1 73 73 THR N N 67 116.161 116.161 114.756 1.405 18399
5031 1 14 . 1 1 73 73 THR HA H 67 5.060 5.060 4.395 0.665 18399
5032 1 14 . 1 1 73 73 THR CA C 67 61.493 61.493 60.287 1.206 18399
5033 1 14 . 1 1 73 73 THR CB C 67 71.022 71.022 71.195 -0.173 18399
5034 1 14 . 1 1 73 73 THR H H 67 8.253 8.253 8.671 -0.418 18399
5035 1 14 . 1 1 74 74 PHE N N 68 124.518 124.518 126.260 -1.742 18399
5036 1 14 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.234 0.135 18399
5037 1 14 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.026 -2.013 18399
5038 1 14 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.724 -0.831 18399
5039 1 14 . 1 1 74 74 PHE H H 68 8.989 8.989 8.438 0.551 18399
5040 1 14 . 1 1 75 75 HIS N N 69 120.835 120.835 127.082 -6.247 18399
5041 1 14 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.808 0.338 18399
5042 1 14 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.083 1.048 18399
5043 1 14 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.245 0.339 18399
5044 1 14 . 1 1 75 75 HIS H H 69 9.300 9.300 8.726 0.574 18399
5045 1 14 . 1 1 76 76 MET N N 70 122.731 122.731 122.292 0.439 18399
5046 1 14 . 1 1 76 76 MET HA H 70 5.199 5.199 4.660 0.539 18399
5047 1 14 . 1 1 76 76 MET CA C 70 54.683 54.683 54.824 -0.141 18399
5048 1 14 . 1 1 76 76 MET CB C 70 35.426 35.426 35.626 -0.200 18399
5049 1 14 . 1 1 76 76 MET H H 70 8.563 8.563 8.355 0.208 18399
5050 1 14 . 1 1 77 77 VAL N N 71 128.801 128.801 126.740 2.061 18399
5051 1 14 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.340 -0.063 18399
5052 1 14 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.397 -0.054 18399
5053 1 14 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.161 1.495 18399
5054 1 14 . 1 1 77 77 VAL H H 71 9.118 9.118 8.515 0.603 18399
5055 1 14 . 1 1 78 78 VAL N N 72 125.528 125.528 126.965 -1.437 18399
5056 1 14 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.370 0.248 18399
5057 1 14 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.796 0.689 18399
5058 1 14 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.769 -0.458 18399
5059 1 14 . 1 1 78 78 VAL H H 72 8.544 8.544 8.476 0.068 18399
5060 1 14 . 1 1 79 79 ALA N N 73 131.664 131.664 131.202 0.462 18399
5061 1 14 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.602 -0.279 18399
5062 1 14 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.957 0.789 18399
5063 1 14 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.448 -0.003 18399
5064 1 14 . 1 1 79 79 ALA H H 73 8.957 8.957 8.400 0.557 18399
5065 1 14 . 1 1 80 80 LEU N N 74 120.722 120.722 122.598 -1.876 18399
5066 1 14 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.079 0.200 18399
5067 1 14 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.376 -0.185 18399
5068 1 14 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.156 1.200 18399
5069 1 14 . 1 1 80 80 LEU H H 74 8.193 8.193 8.681 -0.488 18399
5070 1 14 . 1 1 81 81 ARG N N 75 121.022 121.022 122.156 -1.134 18399
5071 1 14 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.475 -0.181 18399
5072 1 14 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.115 -0.511 18399
5073 1 14 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.766 -0.910 18399
5074 1 14 . 1 1 81 81 ARG H H 75 8.207 8.207 8.415 -0.208 18399
5075 1 14 . 1 1 82 82 ALA N N 76 125.815 125.815 121.616 4.199 18399
5076 1 14 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.550 -0.272 18399
5077 1 14 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.899 0.579 18399
5078 1 14 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.127 -1.314 18399
5079 1 14 . 1 1 82 82 ALA H H 76 8.471 8.471 7.604 0.867 18399
5080 1 14 . 1 1 83 83 GLY N N 77 109.110 109.110 109.663 -0.553 18399
5081 1 14 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.552 0.784 18399
5082 1 14 . 1 1 83 83 GLY H H 77 8.506 8.506 8.213 0.293 18399
5083 1 15 . 1 1 8 8 LEU N N 2 125.142 125.142 122.252 2.890 18399
5084 1 15 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.094 -0.620 18399
5085 1 15 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.998 1.277 18399
5086 1 15 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.954 -2.052 18399
5087 1 15 . 1 1 8 8 LEU H H 2 8.251 8.251 7.656 0.595 18399
5088 1 15 . 1 1 9 9 LEU N N 3 126.326 126.326 121.559 4.767 18399
5089 1 15 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.948 -0.152 18399
5090 1 15 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.272 -0.229 18399
5091 1 15 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.045 -1.537 18399
5092 1 15 . 1 1 9 9 LEU H H 3 8.307 8.307 8.164 0.143 18399
5093 1 15 . 1 1 10 10 LYS N N 4 121.349 121.349 123.516 -2.167 18399
5094 1 15 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.026 0.054 18399
5095 1 15 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.811 -0.179 18399
5096 1 15 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.919 0.506 18399
5097 1 15 . 1 1 10 10 LYS H H 4 8.428 8.428 8.475 -0.047 18399
5098 1 15 . 1 1 11 11 VAL N N 5 122.408 122.408 122.126 0.282 18399
5099 1 15 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.925 -0.237 18399
5100 1 15 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.880 0.445 18399
5101 1 15 . 1 1 11 11 VAL CB C 5 33.830 33.830 33.120 0.710 18399
5102 1 15 . 1 1 11 11 VAL H H 5 9.088 9.088 8.377 0.711 18399
5103 1 15 . 1 1 12 12 LYS N N 6 127.778 127.778 124.665 3.113 18399
5104 1 15 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.211 0.141 18399
5105 1 15 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.876 0.799 18399
5106 1 15 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.501 -1.317 18399
5107 1 15 . 1 1 12 12 LYS H H 6 9.029 9.029 8.441 0.588 18399
5108 1 15 . 1 1 13 13 THR N N 7 116.723 116.723 117.060 -0.337 18399
5109 1 15 . 1 1 13 13 THR HA H 7 4.860 4.860 4.428 0.432 18399
5110 1 15 . 1 1 13 13 THR CA C 7 60.392 60.392 59.932 0.460 18399
5111 1 15 . 1 1 13 13 THR CB C 7 71.189 71.189 70.555 0.634 18399
5112 1 15 . 1 1 13 13 THR H H 7 8.790 8.790 7.978 0.812 18399
5113 1 15 . 1 1 14 14 VAL N N 8 119.340 119.340 123.308 -3.968 18399
5114 1 15 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.000 0.103 18399
5115 1 15 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.256 0.456 18399
5116 1 15 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.067 -0.907 18399
5117 1 15 . 1 1 14 14 VAL H H 8 8.872 8.872 8.592 0.280 18399
5118 1 15 . 1 1 15 15 SER N N 9 114.630 114.630 114.171 0.459 18399
5119 1 15 . 1 1 15 15 SER HA H 9 4.513 4.513 4.420 0.093 18399
5120 1 15 . 1 1 15 15 SER CA C 9 57.913 57.913 58.684 -0.771 18399
5121 1 15 . 1 1 15 15 SER CB C 9 63.243 63.243 63.101 0.142 18399
5122 1 15 . 1 1 15 15 SER H H 9 7.859 7.859 7.852 0.007 18399
5123 1 15 . 1 1 16 16 ASN N N 10 115.509 115.509 117.964 -2.455 18399
5124 1 15 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.471 -0.279 18399
5125 1 15 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.825 0.136 18399
5126 1 15 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.426 -1.131 18399
5127 1 15 . 1 1 16 16 ASN H H 10 8.229 8.229 7.829 0.400 18399
5128 1 15 . 1 1 17 17 LYS N N 11 120.345 120.345 119.605 0.740 18399
5129 1 15 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.404 -0.149 18399
5130 1 15 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.219 1.128 18399
5131 1 15 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.504 0.432 18399
5132 1 15 . 1 1 17 17 LYS H H 11 7.315 7.315 7.699 -0.384 18399
5133 1 15 . 1 1 18 18 VAL N N 12 125.270 125.270 125.143 0.127 18399
5134 1 15 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.471 0.166 18399
5135 1 15 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.665 0.084 18399
5136 1 15 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.579 -0.387 18399
5137 1 15 . 1 1 18 18 VAL H H 12 8.576 8.576 8.091 0.485 18399
5138 1 15 . 1 1 19 19 ILE N N 13 130.928 130.928 128.001 2.927 18399
5139 1 15 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.422 -0.269 18399
5140 1 15 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.393 1.052 18399
5141 1 15 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.362 0.833 18399
5142 1 15 . 1 1 19 19 ILE H H 13 9.486 9.486 8.936 0.550 18399
5143 1 15 . 1 1 20 20 GLN N N 14 124.762 124.762 126.846 -2.084 18399
5144 1 15 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.842 0.220 18399
5145 1 15 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.739 0.056 18399
5146 1 15 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.461 0.140 18399
5147 1 15 . 1 1 20 20 GLN H H 14 8.803 8.803 8.518 0.285 18399
5148 1 15 . 1 1 21 21 ILE N N 15 126.010 126.010 120.783 5.227 18399
5149 1 15 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.632 -0.119 18399
5150 1 15 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.531 0.108 18399
5151 1 15 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.411 -1.240 18399
5152 1 15 . 1 1 21 21 ILE H H 15 9.076 9.076 8.092 0.984 18399
5153 1 15 . 1 1 22 22 THR N N 16 118.074 118.074 117.454 0.620 18399
5154 1 15 . 1 1 22 22 THR HA H 16 4.904 4.904 4.491 0.413 18399
5155 1 15 . 1 1 22 22 THR CA C 16 61.462 61.462 61.380 0.082 18399
5156 1 15 . 1 1 22 22 THR CB C 16 69.657 69.657 68.637 1.020 18399
5157 1 15 . 1 1 22 22 THR H H 16 9.047 9.047 8.428 0.619 18399
5158 1 15 . 1 1 23 23 SER N N 17 113.130 113.130 118.257 -5.127 18399
5159 1 15 . 1 1 23 23 SER HA H 17 4.440 4.440 4.603 -0.163 18399
5160 1 15 . 1 1 23 23 SER CA C 17 58.002 58.002 58.722 -0.720 18399
5161 1 15 . 1 1 23 23 SER CB C 17 64.268 64.268 63.923 0.344 18399
5162 1 15 . 1 1 23 23 SER H H 17 7.330 7.330 8.094 -0.764 18399
5163 1 15 . 1 1 24 24 LEU N N 18 123.241 123.241 126.126 -2.885 18399
5164 1 15 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.713 0.026 18399
5165 1 15 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.158 -0.300 18399
5166 1 15 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.613 -2.123 18399
5167 1 15 . 1 1 24 24 LEU H H 18 8.728 8.728 7.665 1.063 18399
5168 1 15 . 1 1 25 25 THR N N 19 111.915 111.915 114.271 -2.356 18399
5169 1 15 . 1 1 25 25 THR HA H 19 4.816 4.816 4.366 0.450 18399
5170 1 15 . 1 1 25 25 THR CA C 19 59.575 59.575 61.114 -1.539 18399
5171 1 15 . 1 1 25 25 THR CB C 19 72.043 72.043 70.346 1.697 18399
5172 1 15 . 1 1 25 25 THR H H 19 9.363 9.363 8.526 0.837 18399
5173 1 15 . 1 1 26 26 ASP N N 20 117.183 117.183 115.656 1.527 18399
5174 1 15 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.590 -0.257 18399
5175 1 15 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.540 2.189 18399
5176 1 15 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.321 -1.939 18399
5177 1 15 . 1 1 26 26 ASP H H 20 8.785 8.785 8.381 0.404 18399
5178 1 15 . 1 1 27 27 ASP N N 21 116.327 116.327 118.665 -2.338 18399
5179 1 15 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.561 0.113 18399
5180 1 15 . 1 1 27 27 ASP CA C 21 54.770 54.770 57.072 -2.303 18399
5181 1 15 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.996 0.298 18399
5182 1 15 . 1 1 27 27 ASP H H 21 7.775 7.775 8.408 -0.633 18399
5183 1 15 . 1 1 28 28 ASN N N 22 117.269 117.269 113.264 4.005 18399
5184 1 15 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.794 0.098 18399
5185 1 15 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.208 1.602 18399
5186 1 15 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.879 0.222 18399
5187 1 15 . 1 1 28 28 ASN H H 22 7.829 7.829 8.541 -0.712 18399
5188 1 15 . 1 1 29 29 THR N N 23 108.639 108.639 115.104 -6.465 18399
5189 1 15 . 1 1 29 29 THR HA H 23 5.206 5.206 3.856 1.350 18399
5190 1 15 . 1 1 29 29 THR CA C 23 59.830 59.830 65.666 -5.836 18399
5191 1 15 . 1 1 29 29 THR CB C 23 72.396 72.396 68.062 4.334 18399
5192 1 15 . 1 1 29 29 THR H H 23 9.145 9.145 8.114 1.031 18399
5193 1 15 . 1 1 30 30 ILE N N 24 120.336 120.336 122.312 -1.976 18399
5194 1 15 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.861 -0.175 18399
5195 1 15 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.109 -3.529 18399
5196 1 15 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.851 -4.507 18399
5197 1 15 . 1 1 30 30 ILE H H 24 8.477 8.477 8.125 0.352 18399
5198 1 15 . 1 1 31 31 ALA N N 25 123.489 123.489 122.490 0.999 18399
5199 1 15 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.157 -0.286 18399
5200 1 15 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.332 0.624 18399
5201 1 15 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.152 0.008 18399
5202 1 15 . 1 1 31 31 ALA H H 25 8.951 8.951 7.702 1.249 18399
5203 1 15 . 1 1 32 32 GLU N N 26 120.101 120.101 119.152 0.949 18399
5204 1 15 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.155 -0.140 18399
5205 1 15 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.108 0.243 18399
5206 1 15 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.244 -0.522 18399
5207 1 15 . 1 1 32 32 GLU H H 26 7.988 7.988 8.555 -0.567 18399
5208 1 15 . 1 1 33 33 LEU N N 27 124.025 124.025 120.252 3.773 18399
5209 1 15 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.028 0.005 18399
5210 1 15 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.743 0.919 18399
5211 1 15 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.183 -2.026 18399
5212 1 15 . 1 1 33 33 LEU H H 27 8.083 8.083 7.728 0.355 18399
5213 1 15 . 1 1 34 34 LYS N N 28 119.471 119.471 118.380 1.091 18399
5214 1 15 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.135 -0.336 18399
5215 1 15 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.638 1.872 18399
5216 1 15 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.813 0.035 18399
5217 1 15 . 1 1 34 34 LYS H H 28 8.746 8.746 8.676 0.070 18399
5218 1 15 . 1 1 35 35 GLY N N 29 106.034 106.034 107.909 -1.875 18399
5219 1 15 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.866 0.176 18399
5220 1 15 . 1 1 35 35 GLY H H 29 8.096 8.096 8.409 -0.313 18399
5221 1 15 . 1 1 36 36 LYS N N 30 121.196 121.196 122.090 -0.894 18399
5222 1 15 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.131 0.106 18399
5223 1 15 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.687 -1.345 18399
5224 1 15 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.378 -1.845 18399
5225 1 15 . 1 1 36 36 LYS H H 30 7.704 7.704 7.834 -0.130 18399
5226 1 15 . 1 1 37 37 LEU N N 31 121.657 121.657 121.015 0.642 18399
5227 1 15 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.050 0.245 18399
5228 1 15 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.968 -0.686 18399
5229 1 15 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.258 -0.065 18399
5230 1 15 . 1 1 37 37 LEU H H 31 7.948 7.948 7.951 -0.003 18399
5231 1 15 . 1 1 38 38 GLU N N 32 123.295 123.295 118.430 4.865 18399
5232 1 15 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.973 0.381 18399
5233 1 15 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399
5234 1 15 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399
5235 1 15 . 1 1 38 38 GLU H H 32 8.714 8.714 8.073 0.641 18399
5236 1 15 . 1 1 39 39 GLU N N 33 118.296 118.296 119.881 -1.585 18399
5237 1 15 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.096 -0.110 18399
5238 1 15 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.791 0.351 18399
5239 1 15 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.544 0.058 18399
5240 1 15 . 1 1 39 39 GLU H H 33 7.470 7.470 7.956 -0.486 18399
5241 1 15 . 1 1 40 40 SER N N 34 112.266 112.266 114.733 -2.467 18399
5242 1 15 . 1 1 40 40 SER CA C 34 61.150 61.150 61.033 0.117 18399
5243 1 15 . 1 1 40 40 SER CB C 34 63.578 63.578 63.295 0.283 18399
5244 1 15 . 1 1 40 40 SER H H 34 8.054 8.054 7.798 0.256 18399
5245 1 15 . 1 1 41 41 GLU N N 35 116.449 116.449 119.672 -3.223 18399
5246 1 15 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.367 -0.000 18399
5247 1 15 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.444 -1.388 18399
5248 1 15 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.116 0.428 18399
5249 1 15 . 1 1 41 41 GLU H H 35 8.908 8.908 7.767 1.141 18399
5250 1 15 . 1 1 42 42 GLY N N 36 108.168 108.168 108.772 -0.604 18399
5251 1 15 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.123 0.301 18399
5252 1 15 . 1 1 42 42 GLY H H 36 7.930 7.930 8.027 -0.097 18399
5253 1 15 . 1 1 43 43 ILE N N 37 120.326 120.326 116.998 3.328 18399
5254 1 15 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.651 -0.921 18399
5255 1 15 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.306 1.913 18399
5256 1 15 . 1 1 43 43 ILE H H 37 6.446 6.446 7.251 -0.805 18399
5257 1 15 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399
5258 1 15 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.549 0.469 18399
5259 1 15 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.751 -0.592 18399
5260 1 15 . 1 1 45 45 GLY N N 39 111.710 111.710 109.471 2.239 18399
5261 1 15 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.607 0.999 18399
5262 1 15 . 1 1 45 45 GLY H H 39 9.228 9.228 8.823 0.405 18399
5263 1 15 . 1 1 46 46 ASN N N 40 114.967 114.967 114.653 0.314 18399
5264 1 15 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.695 -0.183 18399
5265 1 15 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.473 1.000 18399
5266 1 15 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.214 -1.704 18399
5267 1 15 . 1 1 46 46 ASN H H 40 8.325 8.325 8.245 0.080 18399
5268 1 15 . 1 1 47 47 MET N N 41 118.446 118.446 119.363 -0.917 18399
5269 1 15 . 1 1 47 47 MET HA H 41 4.557 4.557 4.487 0.070 18399
5270 1 15 . 1 1 47 47 MET CA C 41 54.886 54.886 56.075 -1.189 18399
5271 1 15 . 1 1 47 47 MET CB C 41 32.632 32.632 33.953 -1.321 18399
5272 1 15 . 1 1 47 47 MET H H 41 8.247 8.247 8.012 0.235 18399
5273 1 15 . 1 1 48 48 ILE N N 42 119.569 119.569 117.164 2.405 18399
5274 1 15 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.784 0.312 18399
5275 1 15 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.595 1.154 18399
5276 1 15 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.874 4.562 18399
5277 1 15 . 1 1 48 48 ILE H H 42 7.422 7.422 7.854 -0.432 18399
5278 1 15 . 1 1 49 49 ARG N N 43 127.179 127.179 121.178 6.001 18399
5279 1 15 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.563 0.017 18399
5280 1 15 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.720 -0.758 18399
5281 1 15 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.249 -1.220 18399
5282 1 15 . 1 1 49 49 ARG H H 43 8.967 8.967 7.832 1.135 18399
5283 1 15 . 1 1 50 50 LEU N N 44 122.639 122.639 122.438 0.201 18399
5284 1 15 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.280 0.127 18399
5285 1 15 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.450 -0.755 18399
5286 1 15 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.198 2.457 18399
5287 1 15 . 1 1 50 50 LEU H H 44 8.603 8.603 8.473 0.130 18399
5288 1 15 . 1 1 51 51 VAL N N 45 121.931 121.931 118.938 2.993 18399
5289 1 15 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.800 -0.092 18399
5290 1 15 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.300 -0.717 18399
5291 1 15 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.403 1.198 18399
5292 1 15 . 1 1 51 51 VAL H H 45 8.960 8.960 8.253 0.707 18399
5293 1 15 . 1 1 52 52 TYR N N 46 126.384 126.384 128.731 -2.347 18399
5294 1 15 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.819 0.270 18399
5295 1 15 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.525 -0.450 18399
5296 1 15 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.813 1.856 18399
5297 1 15 . 1 1 52 52 TYR H H 46 8.879 8.879 8.873 0.006 18399
5298 1 15 . 1 1 53 53 GLN N N 47 127.041 127.041 128.041 -1.000 18399
5299 1 15 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.046 -0.390 18399
5300 1 15 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.576 -0.302 18399
5301 1 15 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.199 -1.758 18399
5302 1 15 . 1 1 53 53 GLN H H 47 9.323 9.323 9.442 -0.119 18399
5303 1 15 . 1 1 54 54 GLY N N 48 102.991 102.991 101.994 0.997 18399
5304 1 15 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.270 0.103 18399
5305 1 15 . 1 1 54 54 GLY H H 48 8.358 8.358 8.549 -0.191 18399
5306 1 15 . 1 1 55 55 LYS N N 49 121.595 121.595 120.834 0.761 18399
5307 1 15 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.644 -0.027 18399
5308 1 15 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.047 -0.707 18399
5309 1 15 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399
5310 1 15 . 1 1 55 55 LYS H H 49 7.819 7.819 7.995 -0.176 18399
5311 1 15 . 1 1 56 56 GLN N N 50 122.484 122.484 119.712 2.772 18399
5312 1 15 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.687 -0.102 18399
5313 1 15 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.610 1.168 18399
5314 1 15 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.051 -2.350 18399
5315 1 15 . 1 1 56 56 GLN H H 50 8.757 8.757 8.449 0.308 18399
5316 1 15 . 1 1 57 57 LEU N N 51 125.130 125.130 120.057 5.073 18399
5317 1 15 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.012 0.288 18399
5318 1 15 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.211 -1.072 18399
5319 1 15 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.242 0.983 18399
5320 1 15 . 1 1 57 57 LEU H H 51 8.442 8.442 8.972 -0.530 18399
5321 1 15 . 1 1 58 58 GLU N N 52 122.551 122.551 121.524 1.027 18399
5322 1 15 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.486 -0.027 18399
5323 1 15 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.644 -0.534 18399
5324 1 15 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.282 0.764 18399
5325 1 15 . 1 1 58 58 GLU H H 52 8.125 8.125 8.828 -0.703 18399
5326 1 15 . 1 1 59 59 ASP N N 53 122.235 122.235 122.118 0.117 18399
5327 1 15 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.366 -0.221 18399
5328 1 15 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.726 -0.027 18399
5329 1 15 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.771 0.240 18399
5330 1 15 . 1 1 59 59 ASP H H 53 8.346 8.346 8.673 -0.327 18399
5331 1 15 . 1 1 60 60 GLU N N 54 113.128 113.128 116.693 -3.565 18399
5332 1 15 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.119 0.196 18399
5333 1 15 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.325 -0.989 18399
5334 1 15 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.458 -0.416 18399
5335 1 15 . 1 1 60 60 GLU H H 54 8.756 8.756 8.574 0.182 18399
5336 1 15 . 1 1 61 61 LYS N N 55 119.869 119.869 119.313 0.556 18399
5337 1 15 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.397 -0.146 18399
5338 1 15 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.637 1.320 18399
5339 1 15 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.478 1.466 18399
5340 1 15 . 1 1 61 61 LYS H H 55 7.677 7.677 7.745 -0.068 18399
5341 1 15 . 1 1 62 62 ARG N N 56 117.724 117.724 120.209 -2.485 18399
5342 1 15 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399
5343 1 15 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.736 2.384 18399
5344 1 15 . 1 1 62 62 ARG H H 56 8.797 8.797 7.672 1.125 18399
5345 1 15 . 1 1 63 63 LEU N N 57 123.223 123.223 121.740 1.483 18399
5346 1 15 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.211 -0.173 18399
5347 1 15 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.404 2.020 18399
5348 1 15 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.697 -1.299 18399
5349 1 15 . 1 1 63 63 LEU H H 57 8.728 8.728 8.416 0.312 18399
5350 1 15 . 1 1 64 64 LYS N N 58 114.073 114.073 118.562 -4.489 18399
5351 1 15 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.992 0.417 18399
5352 1 15 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.170 -1.336 18399
5353 1 15 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.606 -0.482 18399
5354 1 15 . 1 1 64 64 LYS H H 58 8.681 8.681 8.254 0.427 18399
5355 1 15 . 1 1 65 65 ASP N N 59 120.640 120.640 118.859 1.781 18399
5356 1 15 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.549 -0.130 18399
5357 1 15 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.874 0.631 18399
5358 1 15 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.860 -0.812 18399
5359 1 15 . 1 1 65 65 ASP H H 59 7.862 7.862 8.181 -0.319 18399
5360 1 15 . 1 1 66 66 TYR N N 60 117.775 117.775 120.778 -3.003 18399
5361 1 15 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.300 0.316 18399
5362 1 15 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.549 -2.399 18399
5363 1 15 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.876 0.453 18399
5364 1 15 . 1 1 66 66 TYR H H 60 7.545 7.545 8.038 -0.493 18399
5365 1 15 . 1 1 67 67 GLN N N 61 117.450 117.450 116.263 1.187 18399
5366 1 15 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.119 0.064 18399
5367 1 15 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.750 -0.133 18399
5368 1 15 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.310 -1.732 18399
5369 1 15 . 1 1 67 67 GLN H H 61 8.155 8.155 7.733 0.422 18399
5370 1 15 . 1 1 68 68 MET N N 62 120.193 120.193 117.561 2.632 18399
5371 1 15 . 1 1 68 68 MET HA H 62 4.470 4.470 4.441 0.029 18399
5372 1 15 . 1 1 68 68 MET CA C 62 55.767 55.767 55.661 0.106 18399
5373 1 15 . 1 1 68 68 MET CB C 62 33.105 33.105 32.701 0.404 18399
5374 1 15 . 1 1 68 68 MET H H 62 7.997 7.997 7.401 0.596 18399
5375 1 15 . 1 1 69 69 SER N N 63 116.722 116.722 112.346 4.376 18399
5376 1 15 . 1 1 69 69 SER HA H 63 4.530 4.530 4.197 0.333 18399
5377 1 15 . 1 1 69 69 SER CA C 63 57.654 57.654 59.504 -1.849 18399
5378 1 15 . 1 1 69 69 SER CB C 63 64.803 64.803 62.301 2.502 18399
5379 1 15 . 1 1 69 69 SER H H 63 8.073 8.073 8.651 -0.578 18399
5380 1 15 . 1 1 70 70 ALA N N 64 123.286 123.286 120.524 2.762 18399
5381 1 15 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.448 -0.192 18399
5382 1 15 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.018 1.548 18399
5383 1 15 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.501 -1.259 18399
5384 1 15 . 1 1 70 70 ALA H H 64 8.492 8.492 8.029 0.463 18399
5385 1 15 . 1 1 71 71 GLY N N 65 110.294 110.294 107.816 2.478 18399
5386 1 15 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.511 0.616 18399
5387 1 15 . 1 1 71 71 GLY H H 65 8.907 8.907 8.123 0.784 18399
5388 1 15 . 1 1 72 72 ALA N N 66 123.229 123.229 129.025 -5.796 18399
5389 1 15 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.257 0.031 18399
5390 1 15 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.205 0.671 18399
5391 1 15 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.450 0.376 18399
5392 1 15 . 1 1 72 72 ALA H H 66 7.572 7.572 8.691 -1.119 18399
5393 1 15 . 1 1 73 73 THR N N 67 116.161 116.161 115.432 0.729 18399
5394 1 15 . 1 1 73 73 THR HA H 67 5.060 5.060 4.424 0.636 18399
5395 1 15 . 1 1 73 73 THR CA C 67 61.493 61.493 59.870 1.623 18399
5396 1 15 . 1 1 73 73 THR CB C 67 71.022 71.022 70.842 0.180 18399
5397 1 15 . 1 1 73 73 THR H H 67 8.253 8.253 8.611 -0.358 18399
5398 1 15 . 1 1 74 74 PHE N N 68 124.518 124.518 125.969 -1.451 18399
5399 1 15 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.194 0.175 18399
5400 1 15 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.373 -2.360 18399
5401 1 15 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.812 -0.919 18399
5402 1 15 . 1 1 74 74 PHE H H 68 8.989 8.989 8.361 0.628 18399
5403 1 15 . 1 1 75 75 HIS N N 69 120.835 120.835 126.392 -5.557 18399
5404 1 15 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.832 0.314 18399
5405 1 15 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.704 1.427 18399
5406 1 15 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.961 -0.377 18399
5407 1 15 . 1 1 75 75 HIS H H 69 9.300 9.300 8.599 0.701 18399
5408 1 15 . 1 1 76 76 MET N N 70 122.731 122.731 122.552 0.179 18399
5409 1 15 . 1 1 76 76 MET HA H 70 5.199 5.199 4.639 0.560 18399
5410 1 15 . 1 1 76 76 MET CA C 70 54.683 54.683 54.726 -0.043 18399
5411 1 15 . 1 1 76 76 MET CB C 70 35.426 35.426 36.024 -0.598 18399
5412 1 15 . 1 1 76 76 MET H H 70 8.563 8.563 8.236 0.327 18399
5413 1 15 . 1 1 77 77 VAL N N 71 128.801 128.801 126.052 2.749 18399
5414 1 15 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.426 -0.149 18399
5415 1 15 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.759 1.584 18399
5416 1 15 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.364 1.292 18399
5417 1 15 . 1 1 77 77 VAL H H 71 9.118 9.118 8.543 0.575 18399
5418 1 15 . 1 1 78 78 VAL N N 72 125.528 125.528 129.605 -4.077 18399
5419 1 15 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.202 0.416 18399
5420 1 15 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.748 -0.264 18399
5421 1 15 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.127 1.184 18399
5422 1 15 . 1 1 78 78 VAL H H 72 8.544 8.544 8.426 0.118 18399
5423 1 15 . 1 1 79 79 ALA N N 73 131.664 131.664 130.840 0.824 18399
5424 1 15 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.676 -0.353 18399
5425 1 15 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.760 -0.014 18399
5426 1 15 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.783 0.662 18399
5427 1 15 . 1 1 79 79 ALA H H 73 8.957 8.957 8.651 0.306 18399
5428 1 15 . 1 1 80 80 LEU N N 74 120.722 120.722 121.803 -1.081 18399
5429 1 15 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.421 -0.142 18399
5430 1 15 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.867 0.324 18399
5431 1 15 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.509 -0.153 18399
5432 1 15 . 1 1 80 80 LEU H H 74 8.193 8.193 8.580 -0.387 18399
5433 1 15 . 1 1 81 81 ARG N N 75 121.022 121.022 117.697 3.325 18399
5434 1 15 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.055 0.239 18399
5435 1 15 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.772 -1.168 18399
5436 1 15 . 1 1 81 81 ARG CB C 75 30.856 30.856 29.748 1.108 18399
5437 1 15 . 1 1 81 81 ARG H H 75 8.207 8.207 8.015 0.192 18399
5438 1 15 . 1 1 82 82 ALA N N 76 125.815 125.815 121.281 4.534 18399
5439 1 15 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.444 -0.166 18399
5440 1 15 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.094 0.384 18399
5441 1 15 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.212 -1.399 18399
5442 1 15 . 1 1 82 82 ALA H H 76 8.471 8.471 8.239 0.232 18399
5443 1 15 . 1 1 83 83 GLY N N 77 109.110 109.110 107.398 1.712 18399
5444 1 15 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.361 -0.025 18399
5445 1 15 . 1 1 83 83 GLY H H 77 8.506 8.506 9.625 -1.119 18399
5446 1 16 . 1 1 8 8 LEU N N 2 125.142 125.142 122.721 2.421 18399
5447 1 16 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.073 -0.599 18399
5448 1 16 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.901 1.374 18399
5449 1 16 . 1 1 8 8 LEU CB C 2 41.902 41.902 44.094 -2.192 18399
5450 1 16 . 1 1 8 8 LEU H H 2 8.251 8.251 7.672 0.579 18399
5451 1 16 . 1 1 9 9 LEU N N 3 126.326 126.326 121.266 5.060 18399
5452 1 16 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.963 -0.167 18399
5453 1 16 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.323 -0.280 18399
5454 1 16 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.115 -1.607 18399
5455 1 16 . 1 1 9 9 LEU H H 3 8.307 8.307 8.317 -0.010 18399
5456 1 16 . 1 1 10 10 LYS N N 4 121.349 121.349 123.807 -2.458 18399
5457 1 16 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.053 0.027 18399
5458 1 16 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.528 0.104 18399
5459 1 16 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.308 0.117 18399
5460 1 16 . 1 1 10 10 LYS H H 4 8.428 8.428 8.568 -0.140 18399
5461 1 16 . 1 1 11 11 VAL N N 5 122.408 122.408 122.886 -0.478 18399
5462 1 16 . 1 1 11 11 VAL HA H 5 4.688 4.688 5.059 -0.371 18399
5463 1 16 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.209 1.117 18399
5464 1 16 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.934 0.896 18399
5465 1 16 . 1 1 11 11 VAL H H 5 9.088 9.088 8.398 0.690 18399
5466 1 16 . 1 1 12 12 LYS N N 6 127.778 127.778 124.312 3.466 18399
5467 1 16 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.223 0.129 18399
5468 1 16 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.097 0.578 18399
5469 1 16 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.370 -1.185 18399
5470 1 16 . 1 1 12 12 LYS H H 6 9.029 9.029 8.487 0.542 18399
5471 1 16 . 1 1 13 13 THR N N 7 116.723 116.723 116.749 -0.026 18399
5472 1 16 . 1 1 13 13 THR HA H 7 4.860 4.860 4.400 0.460 18399
5473 1 16 . 1 1 13 13 THR CA C 7 60.392 60.392 59.467 0.925 18399
5474 1 16 . 1 1 13 13 THR CB C 7 71.189 71.189 70.635 0.554 18399
5475 1 16 . 1 1 13 13 THR H H 7 8.790 8.790 8.089 0.701 18399
5476 1 16 . 1 1 14 14 VAL N N 8 119.340 119.340 123.271 -3.931 18399
5477 1 16 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.018 0.085 18399
5478 1 16 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.380 0.332 18399
5479 1 16 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.603 -0.443 18399
5480 1 16 . 1 1 14 14 VAL H H 8 8.872 8.872 8.624 0.248 18399
5481 1 16 . 1 1 15 15 SER N N 9 114.630 114.630 113.378 1.252 18399
5482 1 16 . 1 1 15 15 SER HA H 9 4.513 4.513 4.434 0.079 18399
5483 1 16 . 1 1 15 15 SER CA C 9 57.913 57.913 58.497 -0.584 18399
5484 1 16 . 1 1 15 15 SER CB C 9 63.243 63.243 63.037 0.206 18399
5485 1 16 . 1 1 15 15 SER H H 9 7.859 7.859 7.765 0.094 18399
5486 1 16 . 1 1 16 16 ASN N N 10 115.509 115.509 117.878 -2.369 18399
5487 1 16 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.479 -0.287 18399
5488 1 16 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.643 0.318 18399
5489 1 16 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.724 -1.429 18399
5490 1 16 . 1 1 16 16 ASN H H 10 8.229 8.229 7.835 0.394 18399
5491 1 16 . 1 1 17 17 LYS N N 11 120.345 120.345 119.980 0.365 18399
5492 1 16 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.402 -0.147 18399
5493 1 16 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.222 1.125 18399
5494 1 16 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.612 0.324 18399
5495 1 16 . 1 1 17 17 LYS H H 11 7.315 7.315 7.706 -0.391 18399
5496 1 16 . 1 1 18 18 VAL N N 12 125.270 125.270 125.006 0.264 18399
5497 1 16 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.536 0.101 18399
5498 1 16 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.511 0.238 18399
5499 1 16 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.419 -0.227 18399
5500 1 16 . 1 1 18 18 VAL H H 12 8.576 8.576 8.086 0.490 18399
5501 1 16 . 1 1 19 19 ILE N N 13 130.928 130.928 128.353 2.575 18399
5502 1 16 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.396 -0.243 18399
5503 1 16 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.395 1.050 18399
5504 1 16 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.109 1.086 18399
5505 1 16 . 1 1 19 19 ILE H H 13 9.486 9.486 8.867 0.619 18399
5506 1 16 . 1 1 20 20 GLN N N 14 124.762 124.762 127.133 -2.371 18399
5507 1 16 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.863 0.199 18399
5508 1 16 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.597 0.198 18399
5509 1 16 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.254 0.347 18399
5510 1 16 . 1 1 20 20 GLN H H 14 8.803 8.803 8.545 0.258 18399
5511 1 16 . 1 1 21 21 ILE N N 15 126.010 126.010 121.086 4.924 18399
5512 1 16 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.628 -0.115 18399
5513 1 16 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.684 -0.045 18399
5514 1 16 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.428 -1.257 18399
5515 1 16 . 1 1 21 21 ILE H H 15 9.076 9.076 8.138 0.938 18399
5516 1 16 . 1 1 22 22 THR N N 16 118.074 118.074 117.535 0.539 18399
5517 1 16 . 1 1 22 22 THR HA H 16 4.904 4.904 4.596 0.308 18399
5518 1 16 . 1 1 22 22 THR CA C 16 61.462 61.462 61.527 -0.065 18399
5519 1 16 . 1 1 22 22 THR CB C 16 69.657 69.657 68.358 1.299 18399
5520 1 16 . 1 1 22 22 THR H H 16 9.047 9.047 8.449 0.598 18399
5521 1 16 . 1 1 23 23 SER N N 17 113.130 113.130 118.678 -5.548 18399
5522 1 16 . 1 1 23 23 SER HA H 17 4.440 4.440 4.637 -0.197 18399
5523 1 16 . 1 1 23 23 SER CA C 17 58.002 58.002 58.601 -0.599 18399
5524 1 16 . 1 1 23 23 SER CB C 17 64.268 64.268 63.444 0.824 18399
5525 1 16 . 1 1 23 23 SER H H 17 7.330 7.330 8.110 -0.780 18399
5526 1 16 . 1 1 24 24 LEU N N 18 123.241 123.241 125.969 -2.728 18399
5527 1 16 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.708 0.031 18399
5528 1 16 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.069 -0.211 18399
5529 1 16 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.730 -2.240 18399
5530 1 16 . 1 1 24 24 LEU H H 18 8.728 8.728 7.698 1.030 18399
5531 1 16 . 1 1 25 25 THR N N 19 111.915 111.915 114.479 -2.564 18399
5532 1 16 . 1 1 25 25 THR HA H 19 4.816 4.816 4.327 0.489 18399
5533 1 16 . 1 1 25 25 THR CA C 19 59.575 59.575 61.051 -1.476 18399
5534 1 16 . 1 1 25 25 THR CB C 19 72.043 72.043 70.194 1.849 18399
5535 1 16 . 1 1 25 25 THR H H 19 9.363 9.363 8.503 0.860 18399
5536 1 16 . 1 1 26 26 ASP N N 20 117.183 117.183 115.534 1.649 18399
5537 1 16 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.605 -0.272 18399
5538 1 16 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.290 2.439 18399
5539 1 16 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.094 -1.712 18399
5540 1 16 . 1 1 26 26 ASP H H 20 8.785 8.785 8.318 0.467 18399
5541 1 16 . 1 1 27 27 ASP N N 21 116.327 116.327 119.461 -3.134 18399
5542 1 16 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.600 0.074 18399
5543 1 16 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.498 -1.728 18399
5544 1 16 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.082 0.212 18399
5545 1 16 . 1 1 27 27 ASP H H 21 7.775 7.775 8.365 -0.590 18399
5546 1 16 . 1 1 28 28 ASN N N 22 117.269 117.269 113.486 3.783 18399
5547 1 16 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.803 0.089 18399
5548 1 16 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.279 1.531 18399
5549 1 16 . 1 1 28 28 ASN CB C 22 41.101 41.101 41.231 -0.130 18399
5550 1 16 . 1 1 28 28 ASN H H 22 7.829 7.829 8.467 -0.638 18399
5551 1 16 . 1 1 29 29 THR N N 23 108.639 108.639 114.636 -5.997 18399
5552 1 16 . 1 1 29 29 THR HA H 23 5.206 5.206 3.835 1.371 18399
5553 1 16 . 1 1 29 29 THR CA C 23 59.830 59.830 66.117 -6.287 18399
5554 1 16 . 1 1 29 29 THR CB C 23 72.396 72.396 67.625 4.771 18399
5555 1 16 . 1 1 29 29 THR H H 23 9.145 9.145 8.090 1.055 18399
5556 1 16 . 1 1 30 30 ILE N N 24 120.336 120.336 122.996 -2.660 18399
5557 1 16 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.705 -0.019 18399
5558 1 16 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.131 -3.551 18399
5559 1 16 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.578 -4.234 18399
5560 1 16 . 1 1 30 30 ILE H H 24 8.477 8.477 8.160 0.317 18399
5561 1 16 . 1 1 31 31 ALA N N 25 123.489 123.489 122.319 1.170 18399
5562 1 16 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.116 -0.245 18399
5563 1 16 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.295 0.661 18399
5564 1 16 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.009 0.151 18399
5565 1 16 . 1 1 31 31 ALA H H 25 8.951 8.951 7.671 1.280 18399
5566 1 16 . 1 1 32 32 GLU N N 26 120.101 120.101 119.434 0.667 18399
5567 1 16 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.154 -0.139 18399
5568 1 16 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.203 0.148 18399
5569 1 16 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.297 -0.576 18399
5570 1 16 . 1 1 32 32 GLU H H 26 7.988 7.988 8.469 -0.481 18399
5571 1 16 . 1 1 33 33 LEU N N 27 124.025 124.025 120.372 3.653 18399
5572 1 16 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.085 -0.052 18399
5573 1 16 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.837 0.825 18399
5574 1 16 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.706 -1.549 18399
5575 1 16 . 1 1 33 33 LEU H H 27 8.083 8.083 7.882 0.201 18399
5576 1 16 . 1 1 34 34 LYS N N 28 119.471 119.471 118.634 0.837 18399
5577 1 16 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.136 -0.337 18399
5578 1 16 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.721 1.789 18399
5579 1 16 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.794 0.054 18399
5580 1 16 . 1 1 34 34 LYS H H 28 8.746 8.746 8.695 0.051 18399
5581 1 16 . 1 1 35 35 GLY N N 29 106.034 106.034 107.871 -1.837 18399
5582 1 16 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.873 0.169 18399
5583 1 16 . 1 1 35 35 GLY H H 29 8.096 8.096 8.478 -0.382 18399
5584 1 16 . 1 1 36 36 LYS N N 30 121.196 121.196 122.017 -0.821 18399
5585 1 16 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.128 0.109 18399
5586 1 16 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.583 -1.241 18399
5587 1 16 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.317 -1.784 18399
5588 1 16 . 1 1 36 36 LYS H H 30 7.704 7.704 7.839 -0.135 18399
5589 1 16 . 1 1 37 37 LEU N N 31 121.657 121.657 120.800 0.857 18399
5590 1 16 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.996 0.299 18399
5591 1 16 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.097 -0.815 18399
5592 1 16 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.085 0.107 18399
5593 1 16 . 1 1 37 37 LEU H H 31 7.948 7.948 7.955 -0.007 18399
5594 1 16 . 1 1 38 38 GLU N N 32 123.295 123.295 118.446 4.849 18399
5595 1 16 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.979 0.375 18399
5596 1 16 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.832 0.472 18399
5597 1 16 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.028 0.311 18399
5598 1 16 . 1 1 38 38 GLU H H 32 8.714 8.714 8.054 0.660 18399
5599 1 16 . 1 1 39 39 GLU N N 33 118.296 118.296 119.367 -1.071 18399
5600 1 16 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.104 -0.118 18399
5601 1 16 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.669 0.473 18399
5602 1 16 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.467 0.135 18399
5603 1 16 . 1 1 39 39 GLU H H 33 7.470 7.470 7.926 -0.456 18399
5604 1 16 . 1 1 40 40 SER N N 34 112.266 112.266 114.437 -2.171 18399
5605 1 16 . 1 1 40 40 SER CA C 34 61.150 61.150 61.006 0.144 18399
5606 1 16 . 1 1 40 40 SER CB C 34 63.578 63.578 63.265 0.313 18399
5607 1 16 . 1 1 40 40 SER H H 34 8.054 8.054 7.743 0.311 18399
5608 1 16 . 1 1 41 41 GLU N N 35 116.449 116.449 118.821 -2.372 18399
5609 1 16 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.373 -0.006 18399
5610 1 16 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.649 -1.593 18399
5611 1 16 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.278 0.266 18399
5612 1 16 . 1 1 41 41 GLU H H 35 8.908 8.908 7.789 1.119 18399
5613 1 16 . 1 1 42 42 GLY N N 36 108.168 108.168 108.457 -0.289 18399
5614 1 16 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.119 0.305 18399
5615 1 16 . 1 1 42 42 GLY H H 36 7.930 7.930 7.678 0.252 18399
5616 1 16 . 1 1 43 43 ILE N N 37 120.326 120.326 116.744 3.582 18399
5617 1 16 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.560 -0.830 18399
5618 1 16 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.328 1.891 18399
5619 1 16 . 1 1 43 43 ILE H H 37 6.446 6.446 7.234 -0.788 18399
5620 1 16 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.611 -0.435 18399
5621 1 16 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.591 0.427 18399
5622 1 16 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.654 -0.495 18399
5623 1 16 . 1 1 45 45 GLY N N 39 111.710 111.710 109.079 2.631 18399
5624 1 16 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.603 1.003 18399
5625 1 16 . 1 1 45 45 GLY H H 39 9.228 9.228 8.883 0.345 18399
5626 1 16 . 1 1 46 46 ASN N N 40 114.967 114.967 114.407 0.560 18399
5627 1 16 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.690 -0.178 18399
5628 1 16 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.540 0.933 18399
5629 1 16 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.405 -1.895 18399
5630 1 16 . 1 1 46 46 ASN H H 40 8.325 8.325 7.887 0.438 18399
5631 1 16 . 1 1 47 47 MET N N 41 118.446 118.446 118.858 -0.412 18399
5632 1 16 . 1 1 47 47 MET HA H 41 4.557 4.557 4.499 0.058 18399
5633 1 16 . 1 1 47 47 MET CA C 41 54.886 54.886 56.712 -1.826 18399
5634 1 16 . 1 1 47 47 MET CB C 41 32.632 32.632 33.852 -1.220 18399
5635 1 16 . 1 1 47 47 MET H H 41 8.247 8.247 7.906 0.341 18399
5636 1 16 . 1 1 48 48 ILE N N 42 119.569 119.569 116.087 3.482 18399
5637 1 16 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.798 0.298 18399
5638 1 16 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.916 0.833 18399
5639 1 16 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.476 3.960 18399
5640 1 16 . 1 1 48 48 ILE H H 42 7.422 7.422 7.945 -0.523 18399
5641 1 16 . 1 1 49 49 ARG N N 43 127.179 127.179 122.250 4.929 18399
5642 1 16 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.648 -0.068 18399
5643 1 16 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.713 -0.751 18399
5644 1 16 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.992 -0.963 18399
5645 1 16 . 1 1 49 49 ARG H H 43 8.967 8.967 7.794 1.173 18399
5646 1 16 . 1 1 50 50 LEU N N 44 122.639 122.639 122.777 -0.138 18399
5647 1 16 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.333 0.074 18399
5648 1 16 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.498 -0.804 18399
5649 1 16 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.267 2.388 18399
5650 1 16 . 1 1 50 50 LEU H H 44 8.603 8.603 8.436 0.167 18399
5651 1 16 . 1 1 51 51 VAL N N 45 121.931 121.931 118.955 2.976 18399
5652 1 16 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.776 -0.068 18399
5653 1 16 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.310 -0.728 18399
5654 1 16 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.456 1.145 18399
5655 1 16 . 1 1 51 51 VAL H H 45 8.960 8.960 8.307 0.653 18399
5656 1 16 . 1 1 52 52 TYR N N 46 126.384 126.384 128.451 -2.067 18399
5657 1 16 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.807 0.282 18399
5658 1 16 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.310 -0.235 18399
5659 1 16 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.178 1.491 18399
5660 1 16 . 1 1 52 52 TYR H H 46 8.879 8.879 8.945 -0.066 18399
5661 1 16 . 1 1 53 53 GLN N N 47 127.041 127.041 128.242 -1.201 18399
5662 1 16 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.787 -0.131 18399
5663 1 16 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.416 -0.142 18399
5664 1 16 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.393 -1.952 18399
5665 1 16 . 1 1 53 53 GLN H H 47 9.323 9.323 9.175 0.148 18399
5666 1 16 . 1 1 54 54 GLY N N 48 102.991 102.991 101.566 1.425 18399
5667 1 16 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.156 0.217 18399
5668 1 16 . 1 1 54 54 GLY H H 48 8.358 8.358 8.583 -0.225 18399
5669 1 16 . 1 1 55 55 LYS N N 49 121.595 121.595 120.241 1.354 18399
5670 1 16 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.717 -0.100 18399
5671 1 16 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.698 -0.358 18399
5672 1 16 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.892 -0.691 18399
5673 1 16 . 1 1 55 55 LYS H H 49 7.819 7.819 7.928 -0.109 18399
5674 1 16 . 1 1 56 56 GLN N N 50 122.484 122.484 118.694 3.790 18399
5675 1 16 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.746 -0.161 18399
5676 1 16 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.268 1.510 18399
5677 1 16 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.148 -2.447 18399
5678 1 16 . 1 1 56 56 GLN H H 50 8.757 8.757 8.152 0.605 18399
5679 1 16 . 1 1 57 57 LEU N N 51 125.130 125.130 120.760 4.370 18399
5680 1 16 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.027 0.273 18399
5681 1 16 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.232 -1.093 18399
5682 1 16 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.143 1.082 18399
5683 1 16 . 1 1 57 57 LEU H H 51 8.442 8.442 8.804 -0.362 18399
5684 1 16 . 1 1 58 58 GLU N N 52 122.551 122.551 119.511 3.040 18399
5685 1 16 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.474 -0.015 18399
5686 1 16 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.495 -0.385 18399
5687 1 16 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.262 0.784 18399
5688 1 16 . 1 1 58 58 GLU H H 52 8.125 8.125 8.525 -0.400 18399
5689 1 16 . 1 1 59 59 ASP N N 53 122.235 122.235 121.996 0.239 18399
5690 1 16 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.288 -0.143 18399
5691 1 16 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.206 -0.507 18399
5692 1 16 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.763 0.248 18399
5693 1 16 . 1 1 59 59 ASP H H 53 8.346 8.346 8.680 -0.334 18399
5694 1 16 . 1 1 60 60 GLU N N 54 113.128 113.128 116.979 -3.851 18399
5695 1 16 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.129 0.186 18399
5696 1 16 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.154 -0.818 18399
5697 1 16 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.586 -0.544 18399
5698 1 16 . 1 1 60 60 GLU H H 54 8.756 8.756 8.515 0.241 18399
5699 1 16 . 1 1 61 61 LYS N N 55 119.869 119.869 119.001 0.868 18399
5700 1 16 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.461 -0.210 18399
5701 1 16 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.799 1.158 18399
5702 1 16 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.686 1.258 18399
5703 1 16 . 1 1 61 61 LYS H H 55 7.677 7.677 7.663 0.014 18399
5704 1 16 . 1 1 62 62 ARG N N 56 117.724 117.724 120.200 -2.476 18399
5705 1 16 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.127 0.597 18399
5706 1 16 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.710 2.410 18399
5707 1 16 . 1 1 62 62 ARG H H 56 8.797 8.797 7.652 1.145 18399
5708 1 16 . 1 1 63 63 LEU N N 57 123.223 123.223 121.741 1.482 18399
5709 1 16 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.201 -0.163 18399
5710 1 16 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.427 1.997 18399
5711 1 16 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.694 -1.296 18399
5712 1 16 . 1 1 63 63 LEU H H 57 8.728 8.728 8.410 0.318 18399
5713 1 16 . 1 1 64 64 LYS N N 58 114.073 114.073 118.604 -4.531 18399
5714 1 16 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.018 0.391 18399
5715 1 16 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.205 -1.371 18399
5716 1 16 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.643 -0.519 18399
5717 1 16 . 1 1 64 64 LYS H H 58 8.681 8.681 8.252 0.429 18399
5718 1 16 . 1 1 65 65 ASP N N 59 120.640 120.640 119.094 1.546 18399
5719 1 16 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.661 -0.242 18399
5720 1 16 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.102 0.404 18399
5721 1 16 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.817 -0.769 18399
5722 1 16 . 1 1 65 65 ASP H H 59 7.862 7.862 8.115 -0.253 18399
5723 1 16 . 1 1 66 66 TYR N N 60 117.775 117.775 121.044 -3.269 18399
5724 1 16 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.318 0.298 18399
5725 1 16 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.369 -2.219 18399
5726 1 16 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.956 0.373 18399
5727 1 16 . 1 1 66 66 TYR H H 60 7.545 7.545 8.036 -0.491 18399
5728 1 16 . 1 1 67 67 GLN N N 61 117.450 117.450 117.802 -0.352 18399
5729 1 16 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.089 0.094 18399
5730 1 16 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.105 -0.488 18399
5731 1 16 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.528 -1.950 18399
5732 1 16 . 1 1 67 67 GLN H H 61 8.155 8.155 7.721 0.434 18399
5733 1 16 . 1 1 68 68 MET N N 62 120.193 120.193 118.151 2.042 18399
5734 1 16 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399
5735 1 16 . 1 1 68 68 MET CA C 62 55.767 55.767 55.756 0.011 18399
5736 1 16 . 1 1 68 68 MET CB C 62 33.105 33.105 32.925 0.180 18399
5737 1 16 . 1 1 68 68 MET H H 62 7.997 7.997 7.473 0.524 18399
5738 1 16 . 1 1 69 69 SER N N 63 116.722 116.722 112.212 4.510 18399
5739 1 16 . 1 1 69 69 SER HA H 63 4.530 4.530 4.220 0.310 18399
5740 1 16 . 1 1 69 69 SER CA C 63 57.654 57.654 59.712 -2.058 18399
5741 1 16 . 1 1 69 69 SER CB C 63 64.803 64.803 62.254 2.549 18399
5742 1 16 . 1 1 69 69 SER H H 63 8.073 8.073 8.715 -0.642 18399
5743 1 16 . 1 1 70 70 ALA N N 64 123.286 123.286 120.456 2.830 18399
5744 1 16 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.445 -0.189 18399
5745 1 16 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.053 1.513 18399
5746 1 16 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.254 -1.012 18399
5747 1 16 . 1 1 70 70 ALA H H 64 8.492 8.492 8.065 0.427 18399
5748 1 16 . 1 1 71 71 GLY N N 65 110.294 110.294 108.219 2.075 18399
5749 1 16 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.650 0.477 18399
5750 1 16 . 1 1 71 71 GLY H H 65 8.907 8.907 7.976 0.931 18399
5751 1 16 . 1 1 72 72 ALA N N 66 123.229 123.229 129.189 -5.960 18399
5752 1 16 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.317 -0.029 18399
5753 1 16 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.224 0.652 18399
5754 1 16 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.458 0.368 18399
5755 1 16 . 1 1 72 72 ALA H H 66 7.572 7.572 8.499 -0.927 18399
5756 1 16 . 1 1 73 73 THR N N 67 116.161 116.161 115.801 0.360 18399
5757 1 16 . 1 1 73 73 THR HA H 67 5.060 5.060 5.026 0.034 18399
5758 1 16 . 1 1 73 73 THR CA C 67 61.493 61.493 60.200 1.293 18399
5759 1 16 . 1 1 73 73 THR CB C 67 71.022 71.022 71.250 -0.228 18399
5760 1 16 . 1 1 73 73 THR H H 67 8.253 8.253 8.816 -0.563 18399
5761 1 16 . 1 1 74 74 PHE N N 68 124.518 124.518 126.155 -1.637 18399
5762 1 16 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.279 0.090 18399
5763 1 16 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.468 -2.455 18399
5764 1 16 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.879 -0.986 18399
5765 1 16 . 1 1 74 74 PHE H H 68 8.989 8.989 8.524 0.465 18399
5766 1 16 . 1 1 75 75 HIS N N 69 120.835 120.835 126.487 -5.652 18399
5767 1 16 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.863 0.283 18399
5768 1 16 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.696 1.435 18399
5769 1 16 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.994 -0.410 18399
5770 1 16 . 1 1 75 75 HIS H H 69 9.300 9.300 8.652 0.648 18399
5771 1 16 . 1 1 76 76 MET N N 70 122.731 122.731 122.325 0.406 18399
5772 1 16 . 1 1 76 76 MET HA H 70 5.199 5.199 4.720 0.479 18399
5773 1 16 . 1 1 76 76 MET CA C 70 54.683 54.683 54.726 -0.043 18399
5774 1 16 . 1 1 76 76 MET CB C 70 35.426 35.426 36.117 -0.692 18399
5775 1 16 . 1 1 76 76 MET H H 70 8.563 8.563 8.192 0.371 18399
5776 1 16 . 1 1 77 77 VAL N N 71 128.801 128.801 125.745 3.056 18399
5777 1 16 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.441 -0.164 18399
5778 1 16 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.154 1.189 18399
5779 1 16 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.936 0.720 18399
5780 1 16 . 1 1 77 77 VAL H H 71 9.118 9.118 8.511 0.607 18399
5781 1 16 . 1 1 78 78 VAL N N 72 125.528 125.528 129.720 -4.192 18399
5782 1 16 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.213 0.405 18399
5783 1 16 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.969 0.515 18399
5784 1 16 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.775 1.536 18399
5785 1 16 . 1 1 78 78 VAL H H 72 8.544 8.544 8.463 0.080 18399
5786 1 16 . 1 1 79 79 ALA N N 73 131.664 131.664 131.081 0.583 18399
5787 1 16 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.818 -0.495 18399
5788 1 16 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.474 0.272 18399
5789 1 16 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.407 1.038 18399
5790 1 16 . 1 1 79 79 ALA H H 73 8.957 8.957 8.544 0.413 18399
5791 1 16 . 1 1 80 80 LEU N N 74 120.722 120.722 119.091 1.631 18399
5792 1 16 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.572 -0.293 18399
5793 1 16 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.596 -0.405 18399
5794 1 16 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.307 0.049 18399
5795 1 16 . 1 1 80 80 LEU H H 74 8.193 8.193 8.678 -0.485 18399
5796 1 16 . 1 1 81 81 ARG N N 75 121.022 121.022 121.016 0.006 18399
5797 1 16 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.535 -0.241 18399
5798 1 16 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.575 0.029 18399
5799 1 16 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.765 0.091 18399
5800 1 16 . 1 1 81 81 ARG H H 75 8.207 8.207 8.036 0.171 18399
5801 1 16 . 1 1 82 82 ALA N N 76 125.815 125.815 121.541 4.274 18399
5802 1 16 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.524 -0.246 18399
5803 1 16 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.665 0.813 18399
5804 1 16 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.453 -1.640 18399
5805 1 16 . 1 1 82 82 ALA H H 76 8.471 8.471 8.182 0.289 18399
5806 1 16 . 1 1 83 83 GLY N N 77 109.110 109.110 107.517 1.593 18399
5807 1 16 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.244 0.092 18399
5808 1 16 . 1 1 83 83 GLY H H 77 8.506 8.506 8.975 -0.469 18399
5809 1 17 . 1 1 8 8 LEU N N 2 125.142 125.142 124.125 1.017 18399
5810 1 17 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.565 -0.091 18399
5811 1 17 . 1 1 8 8 LEU CA C 2 55.275 55.275 55.261 0.014 18399
5812 1 17 . 1 1 8 8 LEU CB C 2 41.902 41.902 42.079 -0.177 18399
5813 1 17 . 1 1 8 8 LEU H H 2 8.251 8.251 7.869 0.382 18399
5814 1 17 . 1 1 9 9 LEU N N 3 126.326 126.326 122.201 4.125 18399
5815 1 17 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399
5816 1 17 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.142 -0.099 18399
5817 1 17 . 1 1 9 9 LEU CB C 3 44.508 44.508 45.902 -1.394 18399
5818 1 17 . 1 1 9 9 LEU H H 3 8.307 8.307 7.805 0.502 18399
5819 1 17 . 1 1 10 10 LYS N N 4 121.349 121.349 123.649 -2.300 18399
5820 1 17 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.921 0.159 18399
5821 1 17 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.823 -0.191 18399
5822 1 17 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.814 0.611 18399
5823 1 17 . 1 1 10 10 LYS H H 4 8.428 8.428 8.596 -0.168 18399
5824 1 17 . 1 1 11 11 VAL N N 5 122.408 122.408 123.412 -1.004 18399
5825 1 17 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.916 -0.228 18399
5826 1 17 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.698 0.628 18399
5827 1 17 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.161 1.669 18399
5828 1 17 . 1 1 11 11 VAL H H 5 9.088 9.088 8.511 0.577 18399
5829 1 17 . 1 1 12 12 LYS N N 6 127.778 127.778 126.197 1.581 18399
5830 1 17 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.307 0.045 18399
5831 1 17 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.189 0.486 18399
5832 1 17 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.317 -1.133 18399
5833 1 17 . 1 1 12 12 LYS H H 6 9.029 9.029 8.631 0.398 18399
5834 1 17 . 1 1 13 13 THR N N 7 116.723 116.723 117.697 -0.974 18399
5835 1 17 . 1 1 13 13 THR HA H 7 4.860 4.860 4.726 0.134 18399
5836 1 17 . 1 1 13 13 THR CA C 7 60.392 60.392 60.879 -0.487 18399
5837 1 17 . 1 1 13 13 THR CB C 7 71.189 71.189 70.140 1.049 18399
5838 1 17 . 1 1 13 13 THR H H 7 8.790 8.790 8.306 0.484 18399
5839 1 17 . 1 1 14 14 VAL N N 8 119.340 119.340 121.244 -1.904 18399
5840 1 17 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.090 0.013 18399
5841 1 17 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.549 0.163 18399
5842 1 17 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.073 -0.913 18399
5843 1 17 . 1 1 14 14 VAL H H 8 8.872 8.872 8.632 0.240 18399
5844 1 17 . 1 1 15 15 SER N N 9 114.630 114.630 116.285 -1.655 18399
5845 1 17 . 1 1 15 15 SER HA H 9 4.513 4.513 4.424 0.089 18399
5846 1 17 . 1 1 15 15 SER CA C 9 57.913 57.913 58.517 -0.604 18399
5847 1 17 . 1 1 15 15 SER CB C 9 63.243 63.243 62.664 0.579 18399
5848 1 17 . 1 1 15 15 SER H H 9 7.859 7.859 7.952 -0.093 18399
5849 1 17 . 1 1 16 16 ASN N N 10 115.509 115.509 118.066 -2.557 18399
5850 1 17 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.398 -0.206 18399
5851 1 17 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.736 0.225 18399
5852 1 17 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.077 -0.782 18399
5853 1 17 . 1 1 16 16 ASN H H 10 8.229 8.229 8.026 0.203 18399
5854 1 17 . 1 1 17 17 LYS N N 11 120.345 120.345 119.789 0.556 18399
5855 1 17 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.477 -0.222 18399
5856 1 17 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.014 1.333 18399
5857 1 17 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.074 -0.138 18399
5858 1 17 . 1 1 17 17 LYS H H 11 7.315 7.315 7.565 -0.250 18399
5859 1 17 . 1 1 18 18 VAL N N 12 125.270 125.270 124.640 0.630 18399
5860 1 17 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.571 0.066 18399
5861 1 17 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.314 0.435 18399
5862 1 17 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.493 -0.301 18399
5863 1 17 . 1 1 18 18 VAL H H 12 8.576 8.576 8.350 0.226 18399
5864 1 17 . 1 1 19 19 ILE N N 13 130.928 130.928 128.187 2.741 18399
5865 1 17 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.361 -0.208 18399
5866 1 17 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.633 0.812 18399
5867 1 17 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.889 0.306 18399
5868 1 17 . 1 1 19 19 ILE H H 13 9.486 9.486 8.780 0.706 18399
5869 1 17 . 1 1 20 20 GLN N N 14 124.762 124.762 128.167 -3.405 18399
5870 1 17 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.769 0.293 18399
5871 1 17 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.955 -0.160 18399
5872 1 17 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.794 -0.194 18399
5873 1 17 . 1 1 20 20 GLN H H 14 8.803 8.803 8.554 0.249 18399
5874 1 17 . 1 1 21 21 ILE N N 15 126.010 126.010 124.092 1.918 18399
5875 1 17 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.655 -0.142 18399
5876 1 17 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.213 0.426 18399
5877 1 17 . 1 1 21 21 ILE CB C 15 39.171 39.171 39.891 -0.720 18399
5878 1 17 . 1 1 21 21 ILE H H 15 9.076 9.076 8.200 0.876 18399
5879 1 17 . 1 1 22 22 THR N N 16 118.074 118.074 114.013 4.061 18399
5880 1 17 . 1 1 22 22 THR HA H 16 4.904 4.904 4.507 0.397 18399
5881 1 17 . 1 1 22 22 THR CA C 16 61.462 61.462 61.392 0.070 18399
5882 1 17 . 1 1 22 22 THR CB C 16 69.657 69.657 68.287 1.370 18399
5883 1 17 . 1 1 22 22 THR H H 16 9.047 9.047 8.408 0.639 18399
5884 1 17 . 1 1 23 23 SER N N 17 113.130 113.130 116.906 -3.776 18399
5885 1 17 . 1 1 23 23 SER HA H 17 4.440 4.440 4.572 -0.132 18399
5886 1 17 . 1 1 23 23 SER CA C 17 58.002 58.002 58.576 -0.574 18399
5887 1 17 . 1 1 23 23 SER CB C 17 64.268 64.268 63.631 0.637 18399
5888 1 17 . 1 1 23 23 SER H H 17 7.330 7.330 8.199 -0.869 18399
5889 1 17 . 1 1 24 24 LEU N N 18 123.241 123.241 125.038 -1.797 18399
5890 1 17 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.767 -0.028 18399
5891 1 17 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.642 0.216 18399
5892 1 17 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.899 -2.409 18399
5893 1 17 . 1 1 24 24 LEU H H 18 8.728 8.728 8.382 0.346 18399
5894 1 17 . 1 1 25 25 THR N N 19 111.915 111.915 115.030 -3.115 18399
5895 1 17 . 1 1 25 25 THR HA H 19 4.816 4.816 4.304 0.512 18399
5896 1 17 . 1 1 25 25 THR CA C 19 59.575 59.575 61.391 -1.816 18399
5897 1 17 . 1 1 25 25 THR CB C 19 72.043 72.043 69.760 2.283 18399
5898 1 17 . 1 1 25 25 THR H H 19 9.363 9.363 8.293 1.070 18399
5899 1 17 . 1 1 26 26 ASP N N 20 117.183 117.183 116.490 0.693 18399
5900 1 17 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.595 -0.262 18399
5901 1 17 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.519 2.210 18399
5902 1 17 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.236 -1.854 18399
5903 1 17 . 1 1 26 26 ASP H H 20 8.785 8.785 8.277 0.508 18399
5904 1 17 . 1 1 27 27 ASP N N 21 116.327 116.327 119.038 -2.711 18399
5905 1 17 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.569 0.105 18399
5906 1 17 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.115 -0.345 18399
5907 1 17 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.968 0.327 18399
5908 1 17 . 1 1 27 27 ASP H H 21 7.775 7.775 8.140 -0.365 18399
5909 1 17 . 1 1 28 28 ASN N N 22 117.269 117.269 114.767 2.502 18399
5910 1 17 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.785 0.107 18399
5911 1 17 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.775 1.035 18399
5912 1 17 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.373 0.729 18399
5913 1 17 . 1 1 28 28 ASN H H 22 7.829 7.829 8.175 -0.346 18399
5914 1 17 . 1 1 29 29 THR N N 23 108.639 108.639 114.361 -5.722 18399
5915 1 17 . 1 1 29 29 THR HA H 23 5.206 5.206 3.890 1.316 18399
5916 1 17 . 1 1 29 29 THR CA C 23 59.830 59.830 66.387 -6.557 18399
5917 1 17 . 1 1 29 29 THR CB C 23 72.396 72.396 67.593 4.803 18399
5918 1 17 . 1 1 29 29 THR H H 23 9.145 9.145 8.042 1.103 18399
5919 1 17 . 1 1 30 30 ILE N N 24 120.336 120.336 122.927 -2.591 18399
5920 1 17 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.849 -0.163 18399
5921 1 17 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.120 -3.540 18399
5922 1 17 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.703 -4.359 18399
5923 1 17 . 1 1 30 30 ILE H H 24 8.477 8.477 8.243 0.234 18399
5924 1 17 . 1 1 31 31 ALA N N 25 123.489 123.489 122.471 1.018 18399
5925 1 17 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.167 -0.296 18399
5926 1 17 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.324 0.632 18399
5927 1 17 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.070 0.090 18399
5928 1 17 . 1 1 31 31 ALA H H 25 8.951 8.951 7.707 1.244 18399
5929 1 17 . 1 1 32 32 GLU N N 26 120.101 120.101 119.430 0.671 18399
5930 1 17 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.170 -0.155 18399
5931 1 17 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.229 0.122 18399
5932 1 17 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.311 -0.589 18399
5933 1 17 . 1 1 32 32 GLU H H 26 7.988 7.988 8.515 -0.527 18399
5934 1 17 . 1 1 33 33 LEU N N 27 124.025 124.025 120.439 3.586 18399
5935 1 17 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.105 -0.072 18399
5936 1 17 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.896 0.766 18399
5937 1 17 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.761 -1.605 18399
5938 1 17 . 1 1 33 33 LEU H H 27 8.083 8.083 7.807 0.276 18399
5939 1 17 . 1 1 34 34 LYS N N 28 119.471 119.471 118.691 0.780 18399
5940 1 17 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.140 -0.341 18399
5941 1 17 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.768 1.742 18399
5942 1 17 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.809 0.039 18399
5943 1 17 . 1 1 34 34 LYS H H 28 8.746 8.746 8.742 0.004 18399
5944 1 17 . 1 1 35 35 GLY N N 29 106.034 106.034 107.811 -1.777 18399
5945 1 17 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.860 0.182 18399
5946 1 17 . 1 1 35 35 GLY H H 29 8.096 8.096 8.392 -0.296 18399
5947 1 17 . 1 1 36 36 LYS N N 30 121.196 121.196 122.417 -1.221 18399
5948 1 17 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.169 0.068 18399
5949 1 17 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.910 -1.568 18399
5950 1 17 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.370 -1.837 18399
5951 1 17 . 1 1 36 36 LYS H H 30 7.704 7.704 7.828 -0.124 18399
5952 1 17 . 1 1 37 37 LEU N N 31 121.657 121.657 120.911 0.746 18399
5953 1 17 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.005 0.290 18399
5954 1 17 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.029 -0.747 18399
5955 1 17 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.052 0.140 18399
5956 1 17 . 1 1 37 37 LEU H H 31 7.948 7.948 8.166 -0.218 18399
5957 1 17 . 1 1 38 38 GLU N N 32 123.295 123.295 118.439 4.856 18399
5958 1 17 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.987 0.367 18399
5959 1 17 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.830 0.474 18399
5960 1 17 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.004 0.335 18399
5961 1 17 . 1 1 38 38 GLU H H 32 8.714 8.714 8.118 0.596 18399
5962 1 17 . 1 1 39 39 GLU N N 33 118.296 118.296 119.439 -1.143 18399
5963 1 17 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.108 -0.122 18399
5964 1 17 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.706 0.436 18399
5965 1 17 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.431 0.171 18399
5966 1 17 . 1 1 39 39 GLU H H 33 7.470 7.470 7.875 -0.405 18399
5967 1 17 . 1 1 40 40 SER N N 34 112.266 112.266 114.488 -2.222 18399
5968 1 17 . 1 1 40 40 SER CA C 34 61.150 61.150 60.998 0.152 18399
5969 1 17 . 1 1 40 40 SER CB C 34 63.578 63.578 63.276 0.302 18399
5970 1 17 . 1 1 40 40 SER H H 34 8.054 8.054 7.782 0.272 18399
5971 1 17 . 1 1 41 41 GLU N N 35 116.449 116.449 118.272 -1.823 18399
5972 1 17 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.387 -0.020 18399
5973 1 17 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.476 -1.420 18399
5974 1 17 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.430 0.114 18399
5975 1 17 . 1 1 41 41 GLU H H 35 8.908 8.908 7.777 1.131 18399
5976 1 17 . 1 1 42 42 GLY N N 36 108.168 108.168 108.804 -0.636 18399
5977 1 17 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.047 0.377 18399
5978 1 17 . 1 1 42 42 GLY H H 36 7.930 7.930 8.014 -0.084 18399
5979 1 17 . 1 1 43 43 ILE N N 37 120.326 120.326 117.114 3.212 18399
5980 1 17 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.545 -0.815 18399
5981 1 17 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.816 1.403 18399
5982 1 17 . 1 1 43 43 ILE H H 37 6.446 6.446 7.272 -0.826 18399
5983 1 17 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.647 -0.471 18399
5984 1 17 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.436 0.582 18399
5985 1 17 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.555 -0.396 18399
5986 1 17 . 1 1 45 45 GLY N N 39 111.710 111.710 110.585 1.125 18399
5987 1 17 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.645 0.961 18399
5988 1 17 . 1 1 45 45 GLY H H 39 9.228 9.228 8.884 0.344 18399
5989 1 17 . 1 1 46 46 ASN N N 40 114.967 114.967 113.841 1.126 18399
5990 1 17 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.678 -0.166 18399
5991 1 17 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.397 1.076 18399
5992 1 17 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.506 -1.996 18399
5993 1 17 . 1 1 46 46 ASN H H 40 8.325 8.325 8.136 0.189 18399
5994 1 17 . 1 1 47 47 MET N N 41 118.446 118.446 119.357 -0.911 18399
5995 1 17 . 1 1 47 47 MET HA H 41 4.557 4.557 4.516 0.041 18399
5996 1 17 . 1 1 47 47 MET CA C 41 54.886 54.886 56.467 -1.581 18399
5997 1 17 . 1 1 47 47 MET CB C 41 32.632 32.632 34.118 -1.486 18399
5998 1 17 . 1 1 47 47 MET H H 41 8.247 8.247 7.944 0.303 18399
5999 1 17 . 1 1 48 48 ILE N N 42 119.569 119.569 116.953 2.616 18399
6000 1 17 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.799 0.297 18399
6001 1 17 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.736 1.013 18399
6002 1 17 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.051 4.385 18399
6003 1 17 . 1 1 48 48 ILE H H 42 7.422 7.422 7.734 -0.312 18399
6004 1 17 . 1 1 49 49 ARG N N 43 127.179 127.179 122.191 4.988 18399
6005 1 17 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.657 -0.077 18399
6006 1 17 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.124 -0.162 18399
6007 1 17 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.684 -0.655 18399
6008 1 17 . 1 1 49 49 ARG H H 43 8.967 8.967 8.068 0.899 18399
6009 1 17 . 1 1 50 50 LEU N N 44 122.639 122.639 121.787 0.852 18399
6010 1 17 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.107 0.300 18399
6011 1 17 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.086 -0.391 18399
6012 1 17 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.111 2.543 18399
6013 1 17 . 1 1 50 50 LEU H H 44 8.603 8.603 8.437 0.166 18399
6014 1 17 . 1 1 51 51 VAL N N 45 121.931 121.931 119.108 2.823 18399
6015 1 17 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.847 -0.139 18399
6016 1 17 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.870 0.713 18399
6017 1 17 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.635 -0.034 18399
6018 1 17 . 1 1 51 51 VAL H H 45 8.960 8.960 8.132 0.828 18399
6019 1 17 . 1 1 52 52 TYR N N 46 126.384 126.384 129.370 -2.986 18399
6020 1 17 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.904 0.185 18399
6021 1 17 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.474 -0.399 18399
6022 1 17 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.952 1.717 18399
6023 1 17 . 1 1 52 52 TYR H H 46 8.879 8.879 9.062 -0.183 18399
6024 1 17 . 1 1 53 53 GLN N N 47 127.041 127.041 128.132 -1.091 18399
6025 1 17 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.017 -0.361 18399
6026 1 17 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.756 -0.482 18399
6027 1 17 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.805 -2.364 18399
6028 1 17 . 1 1 53 53 GLN H H 47 9.323 9.323 9.505 -0.182 18399
6029 1 17 . 1 1 54 54 GLY N N 48 102.991 102.991 102.048 0.943 18399
6030 1 17 . 1 1 54 54 GLY CA C 48 45.373 45.373 44.999 0.374 18399
6031 1 17 . 1 1 54 54 GLY H H 48 8.358 8.358 8.568 -0.210 18399
6032 1 17 . 1 1 55 55 LYS N N 49 121.595 121.595 120.286 1.309 18399
6033 1 17 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.642 -0.025 18399
6034 1 17 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.239 -0.899 18399
6035 1 17 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.839 -0.638 18399
6036 1 17 . 1 1 55 55 LYS H H 49 7.819 7.819 8.014 -0.195 18399
6037 1 17 . 1 1 56 56 GLN N N 50 122.484 122.484 119.331 3.153 18399
6038 1 17 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.682 -0.097 18399
6039 1 17 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.592 1.186 18399
6040 1 17 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.847 -2.146 18399
6041 1 17 . 1 1 56 56 GLN H H 50 8.757 8.757 8.251 0.506 18399
6042 1 17 . 1 1 57 57 LEU N N 51 125.130 125.130 120.252 4.878 18399
6043 1 17 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.968 0.332 18399
6044 1 17 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.618 -1.479 18399
6045 1 17 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.242 0.983 18399
6046 1 17 . 1 1 57 57 LEU H H 51 8.442 8.442 8.944 -0.502 18399
6047 1 17 . 1 1 58 58 GLU N N 52 122.551 122.551 121.869 0.682 18399
6048 1 17 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.371 0.088 18399
6049 1 17 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.578 -0.468 18399
6050 1 17 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.091 0.955 18399
6051 1 17 . 1 1 58 58 GLU H H 52 8.125 8.125 8.777 -0.652 18399
6052 1 17 . 1 1 59 59 ASP N N 53 122.235 122.235 121.437 0.798 18399
6053 1 17 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.328 -0.183 18399
6054 1 17 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.123 -0.424 18399
6055 1 17 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.928 0.083 18399
6056 1 17 . 1 1 59 59 ASP H H 53 8.346 8.346 8.639 -0.293 18399
6057 1 17 . 1 1 60 60 GLU N N 54 113.128 113.128 116.845 -3.717 18399
6058 1 17 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.098 0.217 18399
6059 1 17 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.203 -0.867 18399
6060 1 17 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.523 -0.481 18399
6061 1 17 . 1 1 60 60 GLU H H 54 8.756 8.756 8.528 0.228 18399
6062 1 17 . 1 1 61 61 LYS N N 55 119.869 119.869 119.182 0.687 18399
6063 1 17 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.375 -0.124 18399
6064 1 17 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.654 1.303 18399
6065 1 17 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.379 1.565 18399
6066 1 17 . 1 1 61 61 LYS H H 55 7.677 7.677 7.742 -0.065 18399
6067 1 17 . 1 1 62 62 ARG N N 56 117.724 117.724 120.053 -2.329 18399
6068 1 17 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.134 0.590 18399
6069 1 17 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.823 2.297 18399
6070 1 17 . 1 1 62 62 ARG H H 56 8.797 8.797 7.637 1.160 18399
6071 1 17 . 1 1 63 63 LEU N N 57 123.223 123.223 121.247 1.976 18399
6072 1 17 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.171 -0.133 18399
6073 1 17 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.487 1.937 18399
6074 1 17 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.616 -1.218 18399
6075 1 17 . 1 1 63 63 LEU H H 57 8.728 8.728 8.346 0.382 18399
6076 1 17 . 1 1 64 64 LYS N N 58 114.073 114.073 118.169 -4.096 18399
6077 1 17 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.016 0.393 18399
6078 1 17 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.223 -1.389 18399
6079 1 17 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.564 -0.440 18399
6080 1 17 . 1 1 64 64 LYS H H 58 8.681 8.681 8.340 0.341 18399
6081 1 17 . 1 1 65 65 ASP N N 59 120.640 120.640 119.151 1.489 18399
6082 1 17 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.520 -0.101 18399
6083 1 17 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.320 0.186 18399
6084 1 17 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.889 -0.841 18399
6085 1 17 . 1 1 65 65 ASP H H 59 7.862 7.862 8.083 -0.221 18399
6086 1 17 . 1 1 66 66 TYR N N 60 117.775 117.775 120.775 -3.000 18399
6087 1 17 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.326 0.290 18399
6088 1 17 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.484 -2.334 18399
6089 1 17 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.999 0.330 18399
6090 1 17 . 1 1 66 66 TYR H H 60 7.545 7.545 8.169 -0.624 18399
6091 1 17 . 1 1 67 67 GLN N N 61 117.450 117.450 118.458 -1.008 18399
6092 1 17 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.136 0.047 18399
6093 1 17 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.743 -0.126 18399
6094 1 17 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.460 -1.882 18399
6095 1 17 . 1 1 67 67 GLN H H 61 8.155 8.155 7.765 0.390 18399
6096 1 17 . 1 1 68 68 MET N N 62 120.193 120.193 118.137 2.056 18399
6097 1 17 . 1 1 68 68 MET HA H 62 4.470 4.470 4.395 0.075 18399
6098 1 17 . 1 1 68 68 MET CA C 62 55.767 55.767 55.630 0.137 18399
6099 1 17 . 1 1 68 68 MET CB C 62 33.105 33.105 32.944 0.161 18399
6100 1 17 . 1 1 68 68 MET H H 62 7.997 7.997 7.426 0.571 18399
6101 1 17 . 1 1 69 69 SER N N 63 116.722 116.722 112.186 4.536 18399
6102 1 17 . 1 1 69 69 SER HA H 63 4.530 4.530 4.121 0.409 18399
6103 1 17 . 1 1 69 69 SER CA C 63 57.654 57.654 59.337 -1.683 18399
6104 1 17 . 1 1 69 69 SER CB C 63 64.803 64.803 62.429 2.374 18399
6105 1 17 . 1 1 69 69 SER H H 63 8.073 8.073 8.746 -0.673 18399
6106 1 17 . 1 1 70 70 ALA N N 64 123.286 123.286 121.018 2.268 18399
6107 1 17 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.467 -0.211 18399
6108 1 17 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.983 1.583 18399
6109 1 17 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.534 -1.292 18399
6110 1 17 . 1 1 70 70 ALA H H 64 8.492 8.492 8.038 0.454 18399
6111 1 17 . 1 1 71 71 GLY N N 65 110.294 110.294 108.289 2.005 18399
6112 1 17 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.899 0.228 18399
6113 1 17 . 1 1 71 71 GLY H H 65 8.907 8.907 7.910 0.997 18399
6114 1 17 . 1 1 72 72 ALA N N 66 123.229 123.229 129.636 -6.407 18399
6115 1 17 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.194 0.094 18399
6116 1 17 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.179 0.697 18399
6117 1 17 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.469 0.357 18399
6118 1 17 . 1 1 72 72 ALA H H 66 7.572 7.572 8.690 -1.118 18399
6119 1 17 . 1 1 73 73 THR N N 67 116.161 116.161 114.760 1.401 18399
6120 1 17 . 1 1 73 73 THR HA H 67 5.060 5.060 4.496 0.564 18399
6121 1 17 . 1 1 73 73 THR CA C 67 61.493 61.493 60.193 1.300 18399
6122 1 17 . 1 1 73 73 THR CB C 67 71.022 71.022 71.220 -0.198 18399
6123 1 17 . 1 1 73 73 THR H H 67 8.253 8.253 8.623 -0.370 18399
6124 1 17 . 1 1 74 74 PHE N N 68 124.518 124.518 126.135 -1.617 18399
6125 1 17 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.236 0.133 18399
6126 1 17 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.961 -1.948 18399
6127 1 17 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.418 -0.525 18399
6128 1 17 . 1 1 74 74 PHE H H 68 8.989 8.989 8.323 0.666 18399
6129 1 17 . 1 1 75 75 HIS N N 69 120.835 120.835 126.664 -5.829 18399
6130 1 17 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.715 0.431 18399
6131 1 17 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.550 1.581 18399
6132 1 17 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.010 -0.426 18399
6133 1 17 . 1 1 75 75 HIS H H 69 9.300 9.300 8.811 0.489 18399
6134 1 17 . 1 1 76 76 MET N N 70 122.731 122.731 122.350 0.381 18399
6135 1 17 . 1 1 76 76 MET HA H 70 5.199 5.199 4.559 0.640 18399
6136 1 17 . 1 1 76 76 MET CA C 70 54.683 54.683 54.302 0.381 18399
6137 1 17 . 1 1 76 76 MET CB C 70 35.426 35.426 35.490 -0.064 18399
6138 1 17 . 1 1 76 76 MET H H 70 8.563 8.563 8.093 0.470 18399
6139 1 17 . 1 1 77 77 VAL N N 71 128.801 128.801 122.469 6.332 18399
6140 1 17 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.490 -0.213 18399
6141 1 17 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.273 1.070 18399
6142 1 17 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.347 2.309 18399
6143 1 17 . 1 1 77 77 VAL H H 71 9.118 9.118 8.365 0.753 18399
6144 1 17 . 1 1 78 78 VAL N N 72 125.528 125.528 125.787 -0.259 18399
6145 1 17 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.298 0.320 18399
6146 1 17 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.500 0.985 18399
6147 1 17 . 1 1 78 78 VAL CB C 72 32.311 32.311 34.708 -2.397 18399
6148 1 17 . 1 1 78 78 VAL H H 72 8.544 8.544 8.244 0.300 18399
6149 1 17 . 1 1 79 79 ALA N N 73 131.664 131.664 131.262 0.402 18399
6150 1 17 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.546 -0.223 18399
6151 1 17 . 1 1 79 79 ALA CA C 73 51.746 51.746 52.171 -0.425 18399
6152 1 17 . 1 1 79 79 ALA CB C 73 19.445 19.445 17.275 2.170 18399
6153 1 17 . 1 1 79 79 ALA H H 73 8.957 8.957 8.689 0.268 18399
6154 1 17 . 1 1 80 80 LEU N N 74 120.722 120.722 123.165 -2.443 18399
6155 1 17 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.142 0.137 18399
6156 1 17 . 1 1 80 80 LEU CA C 74 55.191 55.191 56.752 -1.561 18399
6157 1 17 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.144 0.212 18399
6158 1 17 . 1 1 80 80 LEU H H 74 8.193 8.193 7.716 0.477 18399
6159 1 17 . 1 1 81 81 ARG N N 75 121.022 121.022 119.339 1.683 18399
6160 1 17 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.083 0.211 18399
6161 1 17 . 1 1 81 81 ARG CA C 75 55.604 55.604 58.056 -2.452 18399
6162 1 17 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.002 0.854 18399
6163 1 17 . 1 1 81 81 ARG H H 75 8.207 8.207 8.160 0.047 18399
6164 1 17 . 1 1 82 82 ALA N N 76 125.815 125.815 119.663 6.152 18399
6165 1 17 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.554 -0.276 18399
6166 1 17 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.559 0.919 18399
6167 1 17 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.337 -1.524 18399
6168 1 17 . 1 1 82 82 ALA H H 76 8.471 8.471 7.989 0.482 18399
6169 1 17 . 1 1 83 83 GLY N N 77 109.110 109.110 107.010 2.100 18399
6170 1 17 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.518 0.818 18399
6171 1 17 . 1 1 83 83 GLY H H 77 8.506 8.506 8.101 0.405 18399
6172 1 18 . 1 1 8 8 LEU N N 2 125.142 125.142 122.569 2.573 18399
6173 1 18 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.080 -0.606 18399
6174 1 18 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.916 1.359 18399
6175 1 18 . 1 1 8 8 LEU CB C 2 41.902 41.902 44.047 -2.145 18399
6176 1 18 . 1 1 8 8 LEU H H 2 8.251 8.251 7.719 0.532 18399
6177 1 18 . 1 1 9 9 LEU N N 3 126.326 126.326 121.171 5.155 18399
6178 1 18 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.959 -0.163 18399
6179 1 18 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.336 -0.293 18399
6180 1 18 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.111 -1.603 18399
6181 1 18 . 1 1 9 9 LEU H H 3 8.307 8.307 8.355 -0.048 18399
6182 1 18 . 1 1 10 10 LYS N N 4 121.349 121.349 123.850 -2.501 18399
6183 1 18 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.068 0.012 18399
6184 1 18 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.498 0.134 18399
6185 1 18 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.319 0.106 18399
6186 1 18 . 1 1 10 10 LYS H H 4 8.428 8.428 8.553 -0.125 18399
6187 1 18 . 1 1 11 11 VAL N N 5 122.408 122.408 122.839 -0.431 18399
6188 1 18 . 1 1 11 11 VAL HA H 5 4.688 4.688 5.055 -0.367 18399
6189 1 18 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.071 1.255 18399
6190 1 18 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.914 0.916 18399
6191 1 18 . 1 1 11 11 VAL H H 5 9.088 9.088 8.369 0.719 18399
6192 1 18 . 1 1 12 12 LYS N N 6 127.778 127.778 124.870 2.908 18399
6193 1 18 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.194 0.158 18399
6194 1 18 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.108 0.567 18399
6195 1 18 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.303 -1.119 18399
6196 1 18 . 1 1 12 12 LYS H H 6 9.029 9.029 8.506 0.523 18399
6197 1 18 . 1 1 13 13 THR N N 7 116.723 116.723 117.716 -0.993 18399
6198 1 18 . 1 1 13 13 THR HA H 7 4.860 4.860 4.410 0.450 18399
6199 1 18 . 1 1 13 13 THR CA C 7 60.392 60.392 60.168 0.224 18399
6200 1 18 . 1 1 13 13 THR CB C 7 71.189 71.189 70.763 0.426 18399
6201 1 18 . 1 1 13 13 THR H H 7 8.790 8.790 7.958 0.832 18399
6202 1 18 . 1 1 14 14 VAL N N 8 119.340 119.340 123.218 -3.878 18399
6203 1 18 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.003 0.100 18399
6204 1 18 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.611 0.101 18399
6205 1 18 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.110 -0.950 18399
6206 1 18 . 1 1 14 14 VAL H H 8 8.872 8.872 8.573 0.299 18399
6207 1 18 . 1 1 15 15 SER N N 9 114.630 114.630 115.116 -0.486 18399
6208 1 18 . 1 1 15 15 SER HA H 9 4.513 4.513 4.423 0.090 18399
6209 1 18 . 1 1 15 15 SER CA C 9 57.913 57.913 58.566 -0.653 18399
6210 1 18 . 1 1 15 15 SER CB C 9 63.243 63.243 62.947 0.296 18399
6211 1 18 . 1 1 15 15 SER H H 9 7.859 7.859 7.794 0.065 18399
6212 1 18 . 1 1 16 16 ASN N N 10 115.509 115.509 117.437 -1.928 18399
6213 1 18 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.470 -0.278 18399
6214 1 18 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.808 0.153 18399
6215 1 18 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.541 -1.246 18399
6216 1 18 . 1 1 16 16 ASN H H 10 8.229 8.229 7.847 0.382 18399
6217 1 18 . 1 1 17 17 LYS N N 11 120.345 120.345 119.726 0.619 18399
6218 1 18 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.433 -0.178 18399
6219 1 18 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.214 1.133 18399
6220 1 18 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.522 0.414 18399
6221 1 18 . 1 1 17 17 LYS H H 11 7.315 7.315 7.691 -0.376 18399
6222 1 18 . 1 1 18 18 VAL N N 12 125.270 125.270 125.399 -0.129 18399
6223 1 18 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.488 0.149 18399
6224 1 18 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.641 0.108 18399
6225 1 18 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.787 -0.595 18399
6226 1 18 . 1 1 18 18 VAL H H 12 8.576 8.576 8.071 0.505 18399
6227 1 18 . 1 1 19 19 ILE N N 13 130.928 130.928 128.168 2.760 18399
6228 1 18 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.431 -0.278 18399
6229 1 18 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.439 1.006 18399
6230 1 18 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.040 1.155 18399
6231 1 18 . 1 1 19 19 ILE H H 13 9.486 9.486 8.885 0.601 18399
6232 1 18 . 1 1 20 20 GLN N N 14 124.762 124.762 126.940 -2.178 18399
6233 1 18 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.879 0.183 18399
6234 1 18 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.741 0.054 18399
6235 1 18 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.399 0.202 18399
6236 1 18 . 1 1 20 20 GLN H H 14 8.803 8.803 8.549 0.254 18399
6237 1 18 . 1 1 21 21 ILE N N 15 126.010 126.010 120.701 5.309 18399
6238 1 18 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.657 -0.144 18399
6239 1 18 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.578 0.061 18399
6240 1 18 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.783 -1.612 18399
6241 1 18 . 1 1 21 21 ILE H H 15 9.076 9.076 8.133 0.943 18399
6242 1 18 . 1 1 22 22 THR N N 16 118.074 118.074 117.063 1.011 18399
6243 1 18 . 1 1 22 22 THR HA H 16 4.904 4.904 4.510 0.394 18399
6244 1 18 . 1 1 22 22 THR CA C 16 61.462 61.462 61.281 0.181 18399
6245 1 18 . 1 1 22 22 THR CB C 16 69.657 69.657 68.702 0.955 18399
6246 1 18 . 1 1 22 22 THR H H 16 9.047 9.047 8.544 0.503 18399
6247 1 18 . 1 1 23 23 SER N N 17 113.130 113.130 117.970 -4.840 18399
6248 1 18 . 1 1 23 23 SER HA H 17 4.440 4.440 4.660 -0.220 18399
6249 1 18 . 1 1 23 23 SER CA C 17 58.002 58.002 58.143 -0.141 18399
6250 1 18 . 1 1 23 23 SER CB C 17 64.268 64.268 63.717 0.551 18399
6251 1 18 . 1 1 23 23 SER H H 17 7.330 7.330 8.272 -0.942 18399
6252 1 18 . 1 1 24 24 LEU N N 18 123.241 123.241 125.575 -2.334 18399
6253 1 18 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.723 0.017 18399
6254 1 18 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.873 -0.015 18399
6255 1 18 . 1 1 24 24 LEU CB C 18 42.490 42.490 45.017 -2.527 18399
6256 1 18 . 1 1 24 24 LEU H H 18 8.728 8.728 7.862 0.866 18399
6257 1 18 . 1 1 25 25 THR N N 19 111.915 111.915 114.476 -2.561 18399
6258 1 18 . 1 1 25 25 THR HA H 19 4.816 4.816 4.316 0.500 18399
6259 1 18 . 1 1 25 25 THR CA C 19 59.575 59.575 61.524 -1.949 18399
6260 1 18 . 1 1 25 25 THR CB C 19 72.043 72.043 70.343 1.700 18399
6261 1 18 . 1 1 25 25 THR H H 19 9.363 9.363 8.448 0.915 18399
6262 1 18 . 1 1 26 26 ASP N N 20 117.183 117.183 116.022 1.161 18399
6263 1 18 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.623 -0.290 18399
6264 1 18 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.710 2.019 18399
6265 1 18 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.102 -1.720 18399
6266 1 18 . 1 1 26 26 ASP H H 20 8.785 8.785 8.421 0.364 18399
6267 1 18 . 1 1 27 27 ASP N N 21 116.327 116.327 118.835 -2.508 18399
6268 1 18 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.550 0.124 18399
6269 1 18 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.672 -1.902 18399
6270 1 18 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.068 0.226 18399
6271 1 18 . 1 1 27 27 ASP H H 21 7.775 7.775 8.392 -0.617 18399
6272 1 18 . 1 1 28 28 ASN N N 22 117.269 117.269 113.686 3.583 18399
6273 1 18 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.821 0.071 18399
6274 1 18 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.134 1.676 18399
6275 1 18 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.864 0.238 18399
6276 1 18 . 1 1 28 28 ASN H H 22 7.829 7.829 8.453 -0.624 18399
6277 1 18 . 1 1 29 29 THR N N 23 108.639 108.639 114.822 -6.183 18399
6278 1 18 . 1 1 29 29 THR HA H 23 5.206 5.206 3.846 1.360 18399
6279 1 18 . 1 1 29 29 THR CA C 23 59.830 59.830 66.069 -6.239 18399
6280 1 18 . 1 1 29 29 THR CB C 23 72.396 72.396 67.687 4.709 18399
6281 1 18 . 1 1 29 29 THR H H 23 9.145 9.145 8.141 1.004 18399
6282 1 18 . 1 1 30 30 ILE N N 24 120.336 120.336 122.945 -2.609 18399
6283 1 18 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.741 -0.055 18399
6284 1 18 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.900 -3.321 18399
6285 1 18 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.590 -4.246 18399
6286 1 18 . 1 1 30 30 ILE H H 24 8.477 8.477 8.168 0.309 18399
6287 1 18 . 1 1 31 31 ALA N N 25 123.489 123.489 122.495 0.994 18399
6288 1 18 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.031 -0.160 18399
6289 1 18 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.287 0.669 18399
6290 1 18 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.854 0.306 18399
6291 1 18 . 1 1 31 31 ALA H H 25 8.951 8.951 7.671 1.280 18399
6292 1 18 . 1 1 32 32 GLU N N 26 120.101 120.101 118.986 1.115 18399
6293 1 18 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.129 -0.114 18399
6294 1 18 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.085 0.266 18399
6295 1 18 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.247 -0.525 18399
6296 1 18 . 1 1 32 32 GLU H H 26 7.988 7.988 8.500 -0.512 18399
6297 1 18 . 1 1 33 33 LEU N N 27 124.025 124.025 120.371 3.654 18399
6298 1 18 . 1 1 33 33 LEU HA H 27 4.033 4.033 3.986 0.047 18399
6299 1 18 . 1 1 33 33 LEU CA C 27 58.662 58.662 58.318 0.344 18399
6300 1 18 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.228 -2.071 18399
6301 1 18 . 1 1 33 33 LEU H H 27 8.083 8.083 7.634 0.449 18399
6302 1 18 . 1 1 34 34 LYS N N 28 119.471 119.471 118.590 0.881 18399
6303 1 18 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.099 -0.300 18399
6304 1 18 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.712 1.798 18399
6305 1 18 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.748 0.100 18399
6306 1 18 . 1 1 34 34 LYS H H 28 8.746 8.746 8.618 0.128 18399
6307 1 18 . 1 1 35 35 GLY N N 29 106.034 106.034 107.855 -1.821 18399
6308 1 18 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.888 0.154 18399
6309 1 18 . 1 1 35 35 GLY H H 29 8.096 8.096 8.434 -0.338 18399
6310 1 18 . 1 1 36 36 LYS N N 30 121.196 121.196 121.682 -0.486 18399
6311 1 18 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.193 0.044 18399
6312 1 18 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.577 -1.234 18399
6313 1 18 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.253 -1.720 18399
6314 1 18 . 1 1 36 36 LYS H H 30 7.704 7.704 7.775 -0.071 18399
6315 1 18 . 1 1 37 37 LEU N N 31 121.657 121.657 121.296 0.361 18399
6316 1 18 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.163 0.132 18399
6317 1 18 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.844 -0.562 18399
6318 1 18 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.414 0.778 18399
6319 1 18 . 1 1 37 37 LEU H H 31 7.948 7.948 8.219 -0.271 18399
6320 1 18 . 1 1 38 38 GLU N N 32 123.295 123.295 118.952 4.343 18399
6321 1 18 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.046 0.308 18399
6322 1 18 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.833 0.471 18399
6323 1 18 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.611 0.728 18399
6324 1 18 . 1 1 38 38 GLU H H 32 8.714 8.714 8.290 0.424 18399
6325 1 18 . 1 1 39 39 GLU N N 33 118.296 118.296 119.857 -1.561 18399
6326 1 18 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.083 -0.097 18399
6327 1 18 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.792 0.349 18399
6328 1 18 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.561 0.041 18399
6329 1 18 . 1 1 39 39 GLU H H 33 7.470 7.470 7.864 -0.394 18399
6330 1 18 . 1 1 40 40 SER N N 34 112.266 112.266 114.544 -2.278 18399
6331 1 18 . 1 1 40 40 SER CA C 34 61.150 61.150 61.067 0.083 18399
6332 1 18 . 1 1 40 40 SER CB C 34 63.578 63.578 63.215 0.362 18399
6333 1 18 . 1 1 40 40 SER H H 34 8.054 8.054 7.922 0.132 18399
6334 1 18 . 1 1 41 41 GLU N N 35 116.449 116.449 119.953 -3.504 18399
6335 1 18 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.372 -0.005 18399
6336 1 18 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.482 -1.426 18399
6337 1 18 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.187 0.357 18399
6338 1 18 . 1 1 41 41 GLU H H 35 8.908 8.908 7.788 1.120 18399
6339 1 18 . 1 1 42 42 GLY N N 36 108.168 108.168 108.643 -0.475 18399
6340 1 18 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.053 0.371 18399
6341 1 18 . 1 1 42 42 GLY H H 36 7.930 7.930 7.996 -0.066 18399
6342 1 18 . 1 1 43 43 ILE N N 37 120.326 120.326 116.480 3.846 18399
6343 1 18 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.599 -0.869 18399
6344 1 18 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.509 1.710 18399
6345 1 18 . 1 1 43 43 ILE H H 37 6.446 6.446 7.367 -0.921 18399
6346 1 18 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.620 -0.444 18399
6347 1 18 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.588 0.430 18399
6348 1 18 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.697 -0.538 18399
6349 1 18 . 1 1 45 45 GLY N N 39 111.710 111.710 109.678 2.032 18399
6350 1 18 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.582 1.024 18399
6351 1 18 . 1 1 45 45 GLY H H 39 9.228 9.228 8.815 0.413 18399
6352 1 18 . 1 1 46 46 ASN N N 40 114.967 114.967 114.458 0.509 18399
6353 1 18 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.703 -0.191 18399
6354 1 18 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.554 0.919 18399
6355 1 18 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.181 -1.671 18399
6356 1 18 . 1 1 46 46 ASN H H 40 8.325 8.325 8.013 0.312 18399
6357 1 18 . 1 1 47 47 MET N N 41 118.446 118.446 119.680 -1.234 18399
6358 1 18 . 1 1 47 47 MET HA H 41 4.557 4.557 4.495 0.062 18399
6359 1 18 . 1 1 47 47 MET CA C 41 54.886 54.886 56.458 -1.572 18399
6360 1 18 . 1 1 47 47 MET CB C 41 32.632 32.632 33.685 -1.053 18399
6361 1 18 . 1 1 47 47 MET H H 41 8.247 8.247 7.978 0.269 18399
6362 1 18 . 1 1 48 48 ILE N N 42 119.569 119.569 116.977 2.592 18399
6363 1 18 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.815 0.281 18399
6364 1 18 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.596 1.153 18399
6365 1 18 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.943 4.493 18399
6366 1 18 . 1 1 48 48 ILE H H 42 7.422 7.422 7.873 -0.451 18399
6367 1 18 . 1 1 49 49 ARG N N 43 127.179 127.179 121.928 5.251 18399
6368 1 18 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.583 -0.003 18399
6369 1 18 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.100 -0.138 18399
6370 1 18 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.616 -0.587 18399
6371 1 18 . 1 1 49 49 ARG H H 43 8.967 8.967 7.982 0.985 18399
6372 1 18 . 1 1 50 50 LEU N N 44 122.639 122.639 122.539 0.100 18399
6373 1 18 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.308 0.099 18399
6374 1 18 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.523 -0.828 18399
6375 1 18 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.618 3.037 18399
6376 1 18 . 1 1 50 50 LEU H H 44 8.603 8.603 8.453 0.150 18399
6377 1 18 . 1 1 51 51 VAL N N 45 121.931 121.931 118.863 3.068 18399
6378 1 18 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.830 -0.122 18399
6379 1 18 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.666 -1.083 18399
6380 1 18 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.423 1.178 18399
6381 1 18 . 1 1 51 51 VAL H H 45 8.960 8.960 8.414 0.546 18399
6382 1 18 . 1 1 52 52 TYR N N 46 126.384 126.384 128.298 -1.914 18399
6383 1 18 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.853 0.236 18399
6384 1 18 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.447 -0.372 18399
6385 1 18 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.280 1.389 18399
6386 1 18 . 1 1 52 52 TYR H H 46 8.879 8.879 8.902 -0.023 18399
6387 1 18 . 1 1 53 53 GLN N N 47 127.041 127.041 128.013 -0.972 18399
6388 1 18 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.763 -0.107 18399
6389 1 18 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.467 -0.193 18399
6390 1 18 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.621 -2.180 18399
6391 1 18 . 1 1 53 53 GLN H H 47 9.323 9.323 9.177 0.146 18399
6392 1 18 . 1 1 54 54 GLY N N 48 102.991 102.991 101.709 1.282 18399
6393 1 18 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.238 0.135 18399
6394 1 18 . 1 1 54 54 GLY H H 48 8.358 8.358 8.610 -0.252 18399
6395 1 18 . 1 1 55 55 LYS N N 49 121.595 121.595 120.272 1.323 18399
6396 1 18 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.712 -0.095 18399
6397 1 18 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.703 -0.363 18399
6398 1 18 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.784 -0.583 18399
6399 1 18 . 1 1 55 55 LYS H H 49 7.819 7.819 7.912 -0.093 18399
6400 1 18 . 1 1 56 56 GLN N N 50 122.484 122.484 118.541 3.943 18399
6401 1 18 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.780 -0.195 18399
6402 1 18 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.339 1.439 18399
6403 1 18 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.966 -2.265 18399
6404 1 18 . 1 1 56 56 GLN H H 50 8.757 8.757 8.223 0.534 18399
6405 1 18 . 1 1 57 57 LEU N N 51 125.130 125.130 120.995 4.135 18399
6406 1 18 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.074 0.226 18399
6407 1 18 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.612 -1.473 18399
6408 1 18 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.471 0.753 18399
6409 1 18 . 1 1 57 57 LEU H H 51 8.442 8.442 8.749 -0.307 18399
6410 1 18 . 1 1 58 58 GLU N N 52 122.551 122.551 120.546 2.005 18399
6411 1 18 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.467 -0.008 18399
6412 1 18 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.218 -0.108 18399
6413 1 18 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.231 0.815 18399
6414 1 18 . 1 1 58 58 GLU H H 52 8.125 8.125 8.591 -0.466 18399
6415 1 18 . 1 1 59 59 ASP N N 53 122.235 122.235 122.257 -0.022 18399
6416 1 18 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.304 -0.159 18399
6417 1 18 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.965 -0.265 18399
6418 1 18 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.672 0.339 18399
6419 1 18 . 1 1 59 59 ASP H H 53 8.346 8.346 8.700 -0.354 18399
6420 1 18 . 1 1 60 60 GLU N N 54 113.128 113.128 116.950 -3.822 18399
6421 1 18 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.141 0.174 18399
6422 1 18 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.029 -0.693 18399
6423 1 18 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.541 -0.499 18399
6424 1 18 . 1 1 60 60 GLU H H 54 8.756 8.756 8.551 0.205 18399
6425 1 18 . 1 1 61 61 LYS N N 55 119.869 119.869 119.116 0.753 18399
6426 1 18 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.459 -0.208 18399
6427 1 18 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.748 1.208 18399
6428 1 18 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.724 1.220 18399
6429 1 18 . 1 1 61 61 LYS H H 55 7.677 7.677 7.627 0.050 18399
6430 1 18 . 1 1 62 62 ARG N N 56 117.724 117.724 120.192 -2.468 18399
6431 1 18 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.125 0.599 18399
6432 1 18 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.702 2.418 18399
6433 1 18 . 1 1 62 62 ARG H H 56 8.797 8.797 7.646 1.151 18399
6434 1 18 . 1 1 63 63 LEU N N 57 123.223 123.223 121.712 1.511 18399
6435 1 18 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.213 -0.175 18399
6436 1 18 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.378 2.046 18399
6437 1 18 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.705 -1.307 18399
6438 1 18 . 1 1 63 63 LEU H H 57 8.728 8.728 8.404 0.324 18399
6439 1 18 . 1 1 64 64 LYS N N 58 114.073 114.073 118.575 -4.502 18399
6440 1 18 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.019 0.390 18399
6441 1 18 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.198 -1.364 18399
6442 1 18 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.665 -0.541 18399
6443 1 18 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399
6444 1 18 . 1 1 65 65 ASP N N 59 120.640 120.640 118.660 1.980 18399
6445 1 18 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.641 -0.222 18399
6446 1 18 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.849 0.657 18399
6447 1 18 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.741 -0.693 18399
6448 1 18 . 1 1 65 65 ASP H H 59 7.862 7.862 8.186 -0.324 18399
6449 1 18 . 1 1 66 66 TYR N N 60 117.775 117.775 121.057 -3.282 18399
6450 1 18 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.286 0.330 18399
6451 1 18 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.580 -2.430 18399
6452 1 18 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.824 0.505 18399
6453 1 18 . 1 1 66 66 TYR H H 60 7.545 7.545 7.993 -0.448 18399
6454 1 18 . 1 1 67 67 GLN N N 61 117.450 117.450 117.334 0.116 18399
6455 1 18 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.068 0.115 18399
6456 1 18 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.160 -0.543 18399
6457 1 18 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.463 -1.885 18399
6458 1 18 . 1 1 67 67 GLN H H 61 8.155 8.155 7.751 0.404 18399
6459 1 18 . 1 1 68 68 MET N N 62 120.193 120.193 118.669 1.524 18399
6460 1 18 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399
6461 1 18 . 1 1 68 68 MET CA C 62 55.767 55.767 55.532 0.235 18399
6462 1 18 . 1 1 68 68 MET CB C 62 33.105 33.105 33.033 0.072 18399
6463 1 18 . 1 1 68 68 MET H H 62 7.997 7.997 7.480 0.517 18399
6464 1 18 . 1 1 69 69 SER N N 63 116.722 116.722 111.979 4.743 18399
6465 1 18 . 1 1 69 69 SER HA H 63 4.530 4.530 4.212 0.318 18399
6466 1 18 . 1 1 69 69 SER CA C 63 57.654 57.654 59.289 -1.635 18399
6467 1 18 . 1 1 69 69 SER CB C 63 64.803 64.803 62.357 2.446 18399
6468 1 18 . 1 1 69 69 SER H H 63 8.073 8.073 8.711 -0.638 18399
6469 1 18 . 1 1 70 70 ALA N N 64 123.286 123.286 120.873 2.413 18399
6470 1 18 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.470 -0.214 18399
6471 1 18 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.022 1.544 18399
6472 1 18 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.462 -1.220 18399
6473 1 18 . 1 1 70 70 ALA H H 64 8.492 8.492 8.034 0.458 18399
6474 1 18 . 1 1 71 71 GLY N N 65 110.294 110.294 108.168 2.126 18399
6475 1 18 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.440 0.687 18399
6476 1 18 . 1 1 71 71 GLY H H 65 8.907 8.907 8.047 0.860 18399
6477 1 18 . 1 1 72 72 ALA N N 66 123.229 123.229 129.228 -5.999 18399
6478 1 18 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.346 -0.058 18399
6479 1 18 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.227 0.649 18399
6480 1 18 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.477 0.349 18399
6481 1 18 . 1 1 72 72 ALA H H 66 7.572 7.572 8.535 -0.963 18399
6482 1 18 . 1 1 73 73 THR N N 67 116.161 116.161 115.837 0.324 18399
6483 1 18 . 1 1 73 73 THR HA H 67 5.060 5.060 5.024 0.036 18399
6484 1 18 . 1 1 73 73 THR CA C 67 61.493 61.493 60.178 1.315 18399
6485 1 18 . 1 1 73 73 THR CB C 67 71.022 71.022 71.246 -0.224 18399
6486 1 18 . 1 1 73 73 THR H H 67 8.253 8.253 8.813 -0.560 18399
6487 1 18 . 1 1 74 74 PHE N N 68 124.518 124.518 126.164 -1.646 18399
6488 1 18 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.263 0.106 18399
6489 1 18 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.483 -2.470 18399
6490 1 18 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.900 -1.007 18399
6491 1 18 . 1 1 74 74 PHE H H 68 8.989 8.989 8.528 0.461 18399
6492 1 18 . 1 1 75 75 HIS N N 69 120.835 120.835 126.458 -5.623 18399
6493 1 18 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.878 0.268 18399
6494 1 18 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.651 1.480 18399
6495 1 18 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.982 -0.398 18399
6496 1 18 . 1 1 75 75 HIS H H 69 9.300 9.300 8.655 0.645 18399
6497 1 18 . 1 1 76 76 MET N N 70 122.731 122.731 122.211 0.520 18399
6498 1 18 . 1 1 76 76 MET HA H 70 5.199 5.199 4.765 0.434 18399
6499 1 18 . 1 1 76 76 MET CA C 70 54.683 54.683 54.880 -0.197 18399
6500 1 18 . 1 1 76 76 MET CB C 70 35.426 35.426 35.943 -0.517 18399
6501 1 18 . 1 1 76 76 MET H H 70 8.563 8.563 8.227 0.336 18399
6502 1 18 . 1 1 77 77 VAL N N 71 128.801 128.801 126.928 1.873 18399
6503 1 18 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.341 -0.064 18399
6504 1 18 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.935 0.408 18399
6505 1 18 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.302 1.354 18399
6506 1 18 . 1 1 77 77 VAL H H 71 9.118 9.118 8.518 0.600 18399
6507 1 18 . 1 1 78 78 VAL N N 72 125.528 125.528 128.383 -2.855 18399
6508 1 18 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.206 0.412 18399
6509 1 18 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.017 0.468 18399
6510 1 18 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.678 1.633 18399
6511 1 18 . 1 1 78 78 VAL H H 72 8.544 8.544 8.650 -0.106 18399
6512 1 18 . 1 1 79 79 ALA N N 73 131.664 131.664 130.919 0.745 18399
6513 1 18 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.640 -0.317 18399
6514 1 18 . 1 1 79 79 ALA CA C 73 51.746 51.746 52.137 -0.391 18399
6515 1 18 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.622 -0.177 18399
6516 1 18 . 1 1 79 79 ALA H H 73 8.957 8.957 8.376 0.581 18399
6517 1 18 . 1 1 80 80 LEU N N 74 120.722 120.722 123.093 -2.371 18399
6518 1 18 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.686 -0.407 18399
6519 1 18 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.163 0.028 18399
6520 1 18 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.287 0.069 18399
6521 1 18 . 1 1 80 80 LEU H H 74 8.193 8.193 8.366 -0.173 18399
6522 1 18 . 1 1 81 81 ARG N N 75 121.022 121.022 118.668 2.354 18399
6523 1 18 . 1 1 81 81 ARG HA H 75 4.294 4.294 3.993 0.301 18399
6524 1 18 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.862 -1.258 18399
6525 1 18 . 1 1 81 81 ARG CB C 75 30.856 30.856 29.019 1.837 18399
6526 1 18 . 1 1 81 81 ARG H H 75 8.207 8.207 8.410 -0.203 18399
6527 1 18 . 1 1 82 82 ALA N N 76 125.815 125.815 121.001 4.814 18399
6528 1 18 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.154 0.124 18399
6529 1 18 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.175 0.303 18399
6530 1 18 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.198 -0.385 18399
6531 1 18 . 1 1 82 82 ALA H H 76 8.471 8.471 8.221 0.250 18399
6532 1 18 . 1 1 83 83 GLY N N 77 109.110 109.110 108.524 0.586 18399
6533 1 18 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.952 -0.616 18399
6534 1 18 . 1 1 83 83 GLY H H 77 8.506 8.506 9.470 -0.964 18399
6535 1 19 . 1 1 8 8 LEU N N 2 125.142 125.142 121.611 3.531 18399
6536 1 19 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.162 -0.688 18399
6537 1 19 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.843 1.432 18399
6538 1 19 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.644 -1.742 18399
6539 1 19 . 1 1 8 8 LEU H H 2 8.251 8.251 7.721 0.530 18399
6540 1 19 . 1 1 9 9 LEU N N 3 126.326 126.326 121.516 4.810 18399
6541 1 19 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.937 -0.141 18399
6542 1 19 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.275 -0.232 18399
6543 1 19 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.038 -1.530 18399
6544 1 19 . 1 1 9 9 LEU H H 3 8.307 8.307 8.223 0.084 18399
6545 1 19 . 1 1 10 10 LYS N N 4 121.349 121.349 123.342 -1.993 18399
6546 1 19 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.978 0.102 18399
6547 1 19 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.776 -0.144 18399
6548 1 19 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.992 0.433 18399
6549 1 19 . 1 1 10 10 LYS H H 4 8.428 8.428 8.484 -0.056 18399
6550 1 19 . 1 1 11 11 VAL N N 5 122.408 122.408 122.577 -0.169 18399
6551 1 19 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.768 -0.080 18399
6552 1 19 . 1 1 11 11 VAL CA C 5 60.326 60.326 60.196 0.130 18399
6553 1 19 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.984 0.846 18399
6554 1 19 . 1 1 11 11 VAL H H 5 9.088 9.088 8.537 0.551 18399
6555 1 19 . 1 1 12 12 LYS N N 6 127.778 127.778 125.160 2.618 18399
6556 1 19 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.127 0.225 18399
6557 1 19 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.988 0.687 18399
6558 1 19 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.696 -0.512 18399
6559 1 19 . 1 1 12 12 LYS H H 6 9.029 9.029 8.564 0.465 18399
6560 1 19 . 1 1 13 13 THR N N 7 116.723 116.723 119.004 -2.281 18399
6561 1 19 . 1 1 13 13 THR HA H 7 4.860 4.860 4.394 0.466 18399
6562 1 19 . 1 1 13 13 THR CA C 7 60.392 60.392 60.997 -0.605 18399
6563 1 19 . 1 1 13 13 THR CB C 7 71.189 71.189 70.245 0.944 18399
6564 1 19 . 1 1 13 13 THR H H 7 8.790 8.790 8.282 0.508 18399
6565 1 19 . 1 1 14 14 VAL N N 8 119.340 119.340 121.832 -2.492 18399
6566 1 19 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.976 0.127 18399
6567 1 19 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.042 0.670 18399
6568 1 19 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.365 -0.205 18399
6569 1 19 . 1 1 14 14 VAL H H 8 8.872 8.872 8.470 0.402 18399
6570 1 19 . 1 1 15 15 SER N N 9 114.630 114.630 114.996 -0.366 18399
6571 1 19 . 1 1 15 15 SER HA H 9 4.513 4.513 4.431 0.082 18399
6572 1 19 . 1 1 15 15 SER CA C 9 57.913 57.913 58.556 -0.643 18399
6573 1 19 . 1 1 15 15 SER CB C 9 63.243 63.243 62.671 0.572 18399
6574 1 19 . 1 1 15 15 SER H H 9 7.859 7.859 7.979 -0.120 18399
6575 1 19 . 1 1 16 16 ASN N N 10 115.509 115.509 117.721 -2.212 18399
6576 1 19 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.401 -0.209 18399
6577 1 19 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.523 0.438 18399
6578 1 19 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.676 -1.381 18399
6579 1 19 . 1 1 16 16 ASN H H 10 8.229 8.229 7.905 0.324 18399
6580 1 19 . 1 1 17 17 LYS N N 11 120.345 120.345 119.761 0.584 18399
6581 1 19 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.448 -0.193 18399
6582 1 19 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.234 1.113 18399
6583 1 19 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.954 -0.018 18399
6584 1 19 . 1 1 17 17 LYS H H 11 7.315 7.315 7.485 -0.170 18399
6585 1 19 . 1 1 18 18 VAL N N 12 125.270 125.270 124.978 0.292 18399
6586 1 19 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.666 -0.029 18399
6587 1 19 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.370 0.379 18399
6588 1 19 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.898 -0.706 18399
6589 1 19 . 1 1 18 18 VAL H H 12 8.576 8.576 8.242 0.334 18399
6590 1 19 . 1 1 19 19 ILE N N 13 130.928 130.928 128.259 2.669 18399
6591 1 19 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.386 -0.233 18399
6592 1 19 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.635 0.810 18399
6593 1 19 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.681 0.513 18399
6594 1 19 . 1 1 19 19 ILE H H 13 9.486 9.486 8.992 0.494 18399
6595 1 19 . 1 1 20 20 GLN N N 14 124.762 124.762 127.130 -2.368 18399
6596 1 19 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.835 0.227 18399
6597 1 19 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.564 0.231 18399
6598 1 19 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.259 0.342 18399
6599 1 19 . 1 1 20 20 GLN H H 14 8.803 8.803 8.493 0.310 18399
6600 1 19 . 1 1 21 21 ILE N N 15 126.010 126.010 121.011 4.999 18399
6601 1 19 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.620 -0.107 18399
6602 1 19 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.721 -0.082 18399
6603 1 19 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.334 -1.163 18399
6604 1 19 . 1 1 21 21 ILE H H 15 9.076 9.076 8.128 0.948 18399
6605 1 19 . 1 1 22 22 THR N N 16 118.074 118.074 117.275 0.799 18399
6606 1 19 . 1 1 22 22 THR HA H 16 4.904 4.904 4.604 0.300 18399
6607 1 19 . 1 1 22 22 THR CA C 16 61.462 61.462 61.632 -0.170 18399
6608 1 19 . 1 1 22 22 THR CB C 16 69.657 69.657 68.433 1.224 18399
6609 1 19 . 1 1 22 22 THR H H 16 9.047 9.047 8.478 0.569 18399
6610 1 19 . 1 1 23 23 SER N N 17 113.130 113.130 118.208 -5.078 18399
6611 1 19 . 1 1 23 23 SER HA H 17 4.440 4.440 4.628 -0.188 18399
6612 1 19 . 1 1 23 23 SER CA C 17 58.002 58.002 58.645 -0.643 18399
6613 1 19 . 1 1 23 23 SER CB C 17 64.268 64.268 63.674 0.594 18399
6614 1 19 . 1 1 23 23 SER H H 17 7.330 7.330 8.281 -0.951 18399
6615 1 19 . 1 1 24 24 LEU N N 18 123.241 123.241 124.766 -1.525 18399
6616 1 19 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.792 -0.053 18399
6617 1 19 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.321 0.537 18399
6618 1 19 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.956 -2.466 18399
6619 1 19 . 1 1 24 24 LEU H H 18 8.728 8.728 7.921 0.807 18399
6620 1 19 . 1 1 25 25 THR N N 19 111.915 111.915 115.430 -3.515 18399
6621 1 19 . 1 1 25 25 THR HA H 19 4.816 4.816 4.375 0.441 18399
6622 1 19 . 1 1 25 25 THR CA C 19 59.575 59.575 61.848 -2.273 18399
6623 1 19 . 1 1 25 25 THR CB C 19 72.043 72.043 70.140 1.903 18399
6624 1 19 . 1 1 25 25 THR H H 19 9.363 9.363 8.267 1.096 18399
6625 1 19 . 1 1 26 26 ASP N N 20 117.183 117.183 115.193 1.990 18399
6626 1 19 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.763 -0.430 18399
6627 1 19 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.445 2.284 18399
6628 1 19 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.267 -1.885 18399
6629 1 19 . 1 1 26 26 ASP H H 20 8.785 8.785 8.337 0.448 18399
6630 1 19 . 1 1 27 27 ASP N N 21 116.327 116.327 117.849 -1.522 18399
6631 1 19 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.569 0.105 18399
6632 1 19 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.187 -0.417 18399
6633 1 19 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.595 0.699 18399
6634 1 19 . 1 1 27 27 ASP H H 21 7.775 7.775 8.118 -0.343 18399
6635 1 19 . 1 1 28 28 ASN N N 22 117.269 117.269 114.470 2.799 18399
6636 1 19 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.795 0.097 18399
6637 1 19 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.771 1.039 18399
6638 1 19 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.698 1.403 18399
6639 1 19 . 1 1 28 28 ASN H H 22 7.829 7.829 8.139 -0.310 18399
6640 1 19 . 1 1 29 29 THR N N 23 108.639 108.639 113.863 -5.224 18399
6641 1 19 . 1 1 29 29 THR HA H 23 5.206 5.206 3.908 1.298 18399
6642 1 19 . 1 1 29 29 THR CA C 23 59.830 59.830 66.249 -6.418 18399
6643 1 19 . 1 1 29 29 THR CB C 23 72.396 72.396 67.520 4.876 18399
6644 1 19 . 1 1 29 29 THR H H 23 9.145 9.145 8.021 1.124 18399
6645 1 19 . 1 1 30 30 ILE N N 24 120.336 120.336 122.552 -2.216 18399
6646 1 19 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.830 -0.144 18399
6647 1 19 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.344 -3.764 18399
6648 1 19 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.790 -4.446 18399
6649 1 19 . 1 1 30 30 ILE H H 24 8.477 8.477 8.113 0.364 18399
6650 1 19 . 1 1 31 31 ALA N N 25 123.489 123.489 122.448 1.041 18399
6651 1 19 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.062 -0.191 18399
6652 1 19 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.339 0.617 18399
6653 1 19 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.900 0.260 18399
6654 1 19 . 1 1 31 31 ALA H H 25 8.951 8.951 7.729 1.222 18399
6655 1 19 . 1 1 32 32 GLU N N 26 120.101 120.101 119.158 0.943 18399
6656 1 19 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.161 -0.146 18399
6657 1 19 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.075 0.276 18399
6658 1 19 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.257 -0.535 18399
6659 1 19 . 1 1 32 32 GLU H H 26 7.988 7.988 8.550 -0.562 18399
6660 1 19 . 1 1 33 33 LEU N N 27 124.025 124.025 120.312 3.713 18399
6661 1 19 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.028 0.005 18399
6662 1 19 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.787 0.875 18399
6663 1 19 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.170 -2.013 18399
6664 1 19 . 1 1 33 33 LEU H H 27 8.083 8.083 7.878 0.205 18399
6665 1 19 . 1 1 34 34 LYS N N 28 119.471 119.471 118.653 0.818 18399
6666 1 19 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.157 -0.358 18399
6667 1 19 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.611 1.899 18399
6668 1 19 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.661 0.187 18399
6669 1 19 . 1 1 34 34 LYS H H 28 8.746 8.746 8.692 0.054 18399
6670 1 19 . 1 1 35 35 GLY N N 29 106.034 106.034 107.844 -1.810 18399
6671 1 19 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.874 0.168 18399
6672 1 19 . 1 1 35 35 GLY H H 29 8.096 8.096 8.494 -0.398 18399
6673 1 19 . 1 1 36 36 LYS N N 30 121.196 121.196 122.094 -0.898 18399
6674 1 19 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.160 0.077 18399
6675 1 19 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.804 -1.462 18399
6676 1 19 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.428 -1.895 18399
6677 1 19 . 1 1 36 36 LYS H H 30 7.704 7.704 7.819 -0.115 18399
6678 1 19 . 1 1 37 37 LEU N N 31 121.657 121.657 121.224 0.433 18399
6679 1 19 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.079 0.216 18399
6680 1 19 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.968 -0.686 18399
6681 1 19 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.218 -0.026 18399
6682 1 19 . 1 1 37 37 LEU H H 31 7.948 7.948 8.306 -0.358 18399
6683 1 19 . 1 1 38 38 GLU N N 32 123.295 123.295 118.657 4.638 18399
6684 1 19 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.018 0.336 18399
6685 1 19 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.801 0.503 18399
6686 1 19 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.701 0.638 18399
6687 1 19 . 1 1 38 38 GLU H H 32 8.714 8.714 8.278 0.436 18399
6688 1 19 . 1 1 39 39 GLU N N 33 118.296 118.296 119.429 -1.133 18399
6689 1 19 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.085 -0.099 18399
6690 1 19 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.790 0.352 18399
6691 1 19 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.635 -0.033 18399
6692 1 19 . 1 1 39 39 GLU H H 33 7.470 7.470 7.835 -0.365 18399
6693 1 19 . 1 1 40 40 SER N N 34 112.266 112.266 114.686 -2.420 18399
6694 1 19 . 1 1 40 40 SER CA C 34 61.150 61.150 61.243 -0.093 18399
6695 1 19 . 1 1 40 40 SER CB C 34 63.578 63.578 63.114 0.464 18399
6696 1 19 . 1 1 40 40 SER H H 34 8.054 8.054 7.939 0.115 18399
6697 1 19 . 1 1 41 41 GLU N N 35 116.449 116.449 120.022 -3.573 18399
6698 1 19 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.390 -0.023 18399
6699 1 19 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.588 -1.532 18399
6700 1 19 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.042 0.502 18399
6701 1 19 . 1 1 41 41 GLU H H 35 8.908 8.908 7.808 1.100 18399
6702 1 19 . 1 1 42 42 GLY N N 36 108.168 108.168 108.516 -0.348 18399
6703 1 19 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.084 0.341 18399
6704 1 19 . 1 1 42 42 GLY H H 36 7.930 7.930 7.691 0.239 18399
6705 1 19 . 1 1 43 43 ILE N N 37 120.326 120.326 116.128 4.198 18399
6706 1 19 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.538 -0.808 18399
6707 1 19 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.469 1.750 18399
6708 1 19 . 1 1 43 43 ILE H H 37 6.446 6.446 7.223 -0.777 18399
6709 1 19 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.610 -0.434 18399
6710 1 19 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.600 0.418 18399
6711 1 19 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.656 -0.497 18399
6712 1 19 . 1 1 45 45 GLY N N 39 111.710 111.710 109.059 2.651 18399
6713 1 19 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.605 1.001 18399
6714 1 19 . 1 1 45 45 GLY H H 39 9.228 9.228 8.848 0.380 18399
6715 1 19 . 1 1 46 46 ASN N N 40 114.967 114.967 114.373 0.594 18399
6716 1 19 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.703 -0.191 18399
6717 1 19 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.639 0.834 18399
6718 1 19 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.389 -1.879 18399
6719 1 19 . 1 1 46 46 ASN H H 40 8.325 8.325 7.886 0.439 18399
6720 1 19 . 1 1 47 47 MET N N 41 118.446 118.446 119.258 -0.812 18399
6721 1 19 . 1 1 47 47 MET HA H 41 4.557 4.557 4.526 0.031 18399
6722 1 19 . 1 1 47 47 MET CA C 41 54.886 54.886 56.880 -1.994 18399
6723 1 19 . 1 1 47 47 MET CB C 41 32.632 32.632 33.700 -1.068 18399
6724 1 19 . 1 1 47 47 MET H H 41 8.247 8.247 7.905 0.342 18399
6725 1 19 . 1 1 48 48 ILE N N 42 119.569 119.569 117.863 1.706 18399
6726 1 19 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.760 0.336 18399
6727 1 19 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.135 0.614 18399
6728 1 19 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.579 3.857 18399
6729 1 19 . 1 1 48 48 ILE H H 42 7.422 7.422 7.766 -0.344 18399
6730 1 19 . 1 1 49 49 ARG N N 43 127.179 127.179 121.558 5.621 18399
6731 1 19 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.673 -0.093 18399
6732 1 19 . 1 1 49 49 ARG CA C 43 53.962 53.962 53.746 0.216 18399
6733 1 19 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.653 -0.624 18399
6734 1 19 . 1 1 49 49 ARG H H 43 8.967 8.967 7.964 1.003 18399
6735 1 19 . 1 1 50 50 LEU N N 44 122.639 122.639 121.692 0.947 18399
6736 1 19 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.236 0.171 18399
6737 1 19 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.462 -0.767 18399
6738 1 19 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.879 2.776 18399
6739 1 19 . 1 1 50 50 LEU H H 44 8.603 8.603 8.488 0.115 18399
6740 1 19 . 1 1 51 51 VAL N N 45 121.931 121.931 118.987 2.944 18399
6741 1 19 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.816 -0.108 18399
6742 1 19 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.214 -0.631 18399
6743 1 19 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.444 1.157 18399
6744 1 19 . 1 1 51 51 VAL H H 45 8.960 8.960 8.605 0.355 18399
6745 1 19 . 1 1 52 52 TYR N N 46 126.384 126.384 128.527 -2.143 18399
6746 1 19 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.792 0.297 18399
6747 1 19 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.200 -0.125 18399
6748 1 19 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.882 1.787 18399
6749 1 19 . 1 1 52 52 TYR H H 46 8.879 8.879 8.846 0.033 18399
6750 1 19 . 1 1 53 53 GLN N N 47 127.041 127.041 128.054 -1.013 18399
6751 1 19 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.954 -0.298 18399
6752 1 19 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.615 -0.341 18399
6753 1 19 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.814 -2.373 18399
6754 1 19 . 1 1 53 53 GLN H H 47 9.323 9.323 9.525 -0.202 18399
6755 1 19 . 1 1 54 54 GLY N N 48 102.991 102.991 102.640 0.351 18399
6756 1 19 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.329 0.044 18399
6757 1 19 . 1 1 54 54 GLY H H 48 8.358 8.358 8.643 -0.285 18399
6758 1 19 . 1 1 55 55 LYS N N 49 121.595 121.595 120.979 0.616 18399
6759 1 19 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.690 -0.073 18399
6760 1 19 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.443 -0.103 18399
6761 1 19 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.661 -0.460 18399
6762 1 19 . 1 1 55 55 LYS H H 49 7.819 7.819 8.001 -0.182 18399
6763 1 19 . 1 1 56 56 GLN N N 50 122.484 122.484 119.099 3.385 18399
6764 1 19 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.731 -0.146 18399
6765 1 19 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.575 1.203 18399
6766 1 19 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.186 -2.486 18399
6767 1 19 . 1 1 56 56 GLN H H 50 8.757 8.757 8.457 0.300 18399
6768 1 19 . 1 1 57 57 LEU N N 51 125.130 125.130 120.034 5.096 18399
6769 1 19 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.980 0.320 18399
6770 1 19 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.244 -1.105 18399
6771 1 19 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.246 0.979 18399
6772 1 19 . 1 1 57 57 LEU H H 51 8.442 8.442 9.025 -0.583 18399
6773 1 19 . 1 1 58 58 GLU N N 52 122.551 122.551 121.061 1.490 18399
6774 1 19 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.474 -0.015 18399
6775 1 19 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.789 -0.679 18399
6776 1 19 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.389 0.657 18399
6777 1 19 . 1 1 58 58 GLU H H 52 8.125 8.125 8.790 -0.665 18399
6778 1 19 . 1 1 59 59 ASP N N 53 122.235 122.235 122.088 0.147 18399
6779 1 19 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.374 -0.229 18399
6780 1 19 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.201 -0.502 18399
6781 1 19 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.730 0.281 18399
6782 1 19 . 1 1 59 59 ASP H H 53 8.346 8.346 8.804 -0.458 18399
6783 1 19 . 1 1 60 60 GLU N N 54 113.128 113.128 117.272 -4.144 18399
6784 1 19 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.143 0.172 18399
6785 1 19 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.137 -0.801 18399
6786 1 19 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.655 -0.613 18399
6787 1 19 . 1 1 60 60 GLU H H 54 8.756 8.756 8.474 0.282 18399
6788 1 19 . 1 1 61 61 LYS N N 55 119.869 119.869 118.962 0.907 18399
6789 1 19 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.448 -0.197 18399
6790 1 19 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.785 1.172 18399
6791 1 19 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.502 1.442 18399
6792 1 19 . 1 1 61 61 LYS H H 55 7.677 7.677 7.660 0.017 18399
6793 1 19 . 1 1 62 62 ARG N N 56 117.724 117.724 120.240 -2.516 18399
6794 1 19 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.183 0.541 18399
6795 1 19 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.735 2.385 18399
6796 1 19 . 1 1 62 62 ARG H H 56 8.797 8.797 7.683 1.114 18399
6797 1 19 . 1 1 63 63 LEU N N 57 123.223 123.223 121.746 1.477 18399
6798 1 19 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.224 -0.186 18399
6799 1 19 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.360 2.064 18399
6800 1 19 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.706 -1.308 18399
6801 1 19 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399
6802 1 19 . 1 1 64 64 LYS N N 58 114.073 114.073 118.488 -4.415 18399
6803 1 19 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.999 0.410 18399
6804 1 19 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.094 -1.260 18399
6805 1 19 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.608 -0.484 18399
6806 1 19 . 1 1 64 64 LYS H H 58 8.681 8.681 8.273 0.408 18399
6807 1 19 . 1 1 65 65 ASP N N 59 120.640 120.640 118.697 1.943 18399
6808 1 19 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.529 -0.110 18399
6809 1 19 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.755 0.751 18399
6810 1 19 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.949 -0.901 18399
6811 1 19 . 1 1 65 65 ASP H H 59 7.862 7.862 8.092 -0.230 18399
6812 1 19 . 1 1 66 66 TYR N N 60 117.775 117.775 119.965 -2.190 18399
6813 1 19 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.246 0.370 18399
6814 1 19 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.813 -2.663 18399
6815 1 19 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.175 0.154 18399
6816 1 19 . 1 1 66 66 TYR H H 60 7.545 7.545 7.941 -0.396 18399
6817 1 19 . 1 1 67 67 GLN N N 61 117.450 117.450 116.859 0.591 18399
6818 1 19 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.079 0.104 18399
6819 1 19 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.308 -0.691 18399
6820 1 19 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.379 -1.801 18399
6821 1 19 . 1 1 67 67 GLN H H 61 8.155 8.155 7.958 0.197 18399
6822 1 19 . 1 1 68 68 MET N N 62 120.193 120.193 118.107 2.086 18399
6823 1 19 . 1 1 68 68 MET HA H 62 4.470 4.470 4.394 0.076 18399
6824 1 19 . 1 1 68 68 MET CA C 62 55.767 55.767 55.829 -0.062 18399
6825 1 19 . 1 1 68 68 MET CB C 62 33.105 33.105 32.706 0.399 18399
6826 1 19 . 1 1 68 68 MET H H 62 7.997 7.997 7.353 0.644 18399
6827 1 19 . 1 1 69 69 SER N N 63 116.722 116.722 112.081 4.641 18399
6828 1 19 . 1 1 69 69 SER HA H 63 4.530 4.530 4.164 0.366 18399
6829 1 19 . 1 1 69 69 SER CA C 63 57.654 57.654 59.357 -1.703 18399
6830 1 19 . 1 1 69 69 SER CB C 63 64.803 64.803 62.412 2.391 18399
6831 1 19 . 1 1 69 69 SER H H 63 8.073 8.073 8.646 -0.573 18399
6832 1 19 . 1 1 70 70 ALA N N 64 123.286 123.286 120.569 2.717 18399
6833 1 19 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.458 -0.202 18399
6834 1 19 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.980 1.586 18399
6835 1 19 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.346 -1.104 18399
6836 1 19 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399
6837 1 19 . 1 1 71 71 GLY N N 65 110.294 110.294 108.178 2.116 18399
6838 1 19 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.493 0.634 18399
6839 1 19 . 1 1 71 71 GLY H H 65 8.907 8.907 8.023 0.884 18399
6840 1 19 . 1 1 72 72 ALA N N 66 123.229 123.229 129.278 -6.049 18399
6841 1 19 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.231 0.057 18399
6842 1 19 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.209 0.667 18399
6843 1 19 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.444 0.382 18399
6844 1 19 . 1 1 72 72 ALA H H 66 7.572 7.572 8.665 -1.093 18399
6845 1 19 . 1 1 73 73 THR N N 67 116.161 116.161 115.348 0.813 18399
6846 1 19 . 1 1 73 73 THR HA H 67 5.060 5.060 4.414 0.646 18399
6847 1 19 . 1 1 73 73 THR CA C 67 61.493 61.493 60.112 1.381 18399
6848 1 19 . 1 1 73 73 THR CB C 67 71.022 71.022 70.979 0.043 18399
6849 1 19 . 1 1 73 73 THR H H 67 8.253 8.253 8.569 -0.316 18399
6850 1 19 . 1 1 74 74 PHE N N 68 124.518 124.518 126.391 -1.873 18399
6851 1 19 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.149 0.220 18399
6852 1 19 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.307 -2.294 18399
6853 1 19 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.953 -1.060 18399
6854 1 19 . 1 1 74 74 PHE H H 68 8.989 8.989 8.353 0.636 18399
6855 1 19 . 1 1 75 75 HIS N N 69 120.835 120.835 126.973 -6.138 18399
6856 1 19 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.884 0.262 18399
6857 1 19 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.109 1.022 18399
6858 1 19 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.098 0.486 18399
6859 1 19 . 1 1 75 75 HIS H H 69 9.300 9.300 8.509 0.791 18399
6860 1 19 . 1 1 76 76 MET N N 70 122.731 122.731 122.602 0.129 18399
6861 1 19 . 1 1 76 76 MET HA H 70 5.199 5.199 4.657 0.542 18399
6862 1 19 . 1 1 76 76 MET CA C 70 54.683 54.683 54.818 -0.135 18399
6863 1 19 . 1 1 76 76 MET CB C 70 35.426 35.426 35.898 -0.472 18399
6864 1 19 . 1 1 76 76 MET H H 70 8.563 8.563 8.456 0.107 18399
6865 1 19 . 1 1 77 77 VAL N N 71 128.801 128.801 126.824 1.977 18399
6866 1 19 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.338 -0.061 18399
6867 1 19 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.166 1.177 18399
6868 1 19 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.009 1.647 18399
6869 1 19 . 1 1 77 77 VAL H H 71 9.118 9.118 8.424 0.694 18399
6870 1 19 . 1 1 78 78 VAL N N 72 125.528 125.528 129.006 -3.478 18399
6871 1 19 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.260 0.358 18399
6872 1 19 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.364 1.121 18399
6873 1 19 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.856 -0.545 18399
6874 1 19 . 1 1 78 78 VAL H H 72 8.544 8.544 8.470 0.074 18399
6875 1 19 . 1 1 79 79 ALA N N 73 131.664 131.664 131.986 -0.322 18399
6876 1 19 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.732 -0.409 18399
6877 1 19 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.446 0.300 18399
6878 1 19 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.228 1.217 18399
6879 1 19 . 1 1 79 79 ALA H H 73 8.957 8.957 8.340 0.617 18399
6880 1 19 . 1 1 80 80 LEU N N 74 120.722 120.722 120.229 0.493 18399
6881 1 19 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.537 -0.258 18399
6882 1 19 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.428 -0.237 18399
6883 1 19 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.103 1.253 18399
6884 1 19 . 1 1 80 80 LEU H H 74 8.193 8.193 8.276 -0.083 18399
6885 1 19 . 1 1 81 81 ARG N N 75 121.022 121.022 120.695 0.327 18399
6886 1 19 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.345 -0.051 18399
6887 1 19 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.706 -1.103 18399
6888 1 19 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.846 0.010 18399
6889 1 19 . 1 1 81 81 ARG H H 75 8.207 8.207 8.189 0.018 18399
6890 1 19 . 1 1 82 82 ALA N N 76 125.815 125.815 119.510 6.305 18399
6891 1 19 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.423 -0.145 18399
6892 1 19 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.817 0.661 18399
6893 1 19 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.784 -0.971 18399
6894 1 19 . 1 1 82 82 ALA H H 76 8.471 8.471 7.944 0.527 18399
6895 1 19 . 1 1 83 83 GLY N N 77 109.110 109.110 107.992 1.118 18399
6896 1 19 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.089 0.247 18399
6897 1 19 . 1 1 83 83 GLY H H 77 8.506 8.506 8.290 0.216 18399
6898 1 20 . 1 1 8 8 LEU N N 2 125.142 125.142 121.639 3.503 18399
6899 1 20 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.173 -0.699 18399
6900 1 20 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.905 1.370 18399
6901 1 20 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.696 -1.794 18399
6902 1 20 . 1 1 8 8 LEU H H 2 8.251 8.251 7.748 0.503 18399
6903 1 20 . 1 1 9 9 LEU N N 3 126.326 126.326 121.580 4.746 18399
6904 1 20 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399
6905 1 20 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.248 -0.205 18399
6906 1 20 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.072 -1.564 18399
6907 1 20 . 1 1 9 9 LEU H H 3 8.307 8.307 8.282 0.025 18399
6908 1 20 . 1 1 10 10 LYS N N 4 121.349 121.349 123.644 -2.295 18399
6909 1 20 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.960 0.120 18399
6910 1 20 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.802 -0.170 18399
6911 1 20 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.997 0.428 18399
6912 1 20 . 1 1 10 10 LYS H H 4 8.428 8.428 8.466 -0.038 18399
6913 1 20 . 1 1 11 11 VAL N N 5 122.408 122.408 123.114 -0.706 18399
6914 1 20 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.894 -0.206 18399
6915 1 20 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.083 1.243 18399
6916 1 20 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.351 1.479 18399
6917 1 20 . 1 1 11 11 VAL H H 5 9.088 9.088 8.480 0.608 18399
6918 1 20 . 1 1 12 12 LYS N N 6 127.778 127.778 125.542 2.236 18399
6919 1 20 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.108 0.244 18399
6920 1 20 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.214 0.461 18399
6921 1 20 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.736 -0.552 18399
6922 1 20 . 1 1 12 12 LYS H H 6 9.029 9.029 8.518 0.511 18399
6923 1 20 . 1 1 13 13 THR N N 7 116.723 116.723 118.663 -1.940 18399
6924 1 20 . 1 1 13 13 THR HA H 7 4.860 4.860 4.489 0.371 18399
6925 1 20 . 1 1 13 13 THR CA C 7 60.392 60.392 61.538 -1.146 18399
6926 1 20 . 1 1 13 13 THR CB C 7 71.189 71.189 70.234 0.956 18399
6927 1 20 . 1 1 13 13 THR H H 7 8.790 8.790 8.121 0.669 18399
6928 1 20 . 1 1 14 14 VAL N N 8 119.340 119.340 121.655 -2.315 18399
6929 1 20 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.985 0.118 18399
6930 1 20 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.411 0.301 18399
6931 1 20 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.180 -1.020 18399
6932 1 20 . 1 1 14 14 VAL H H 8 8.872 8.872 8.540 0.332 18399
6933 1 20 . 1 1 15 15 SER N N 9 114.630 114.630 115.893 -1.263 18399
6934 1 20 . 1 1 15 15 SER HA H 9 4.513 4.513 4.466 0.047 18399
6935 1 20 . 1 1 15 15 SER CA C 9 57.913 57.913 58.586 -0.673 18399
6936 1 20 . 1 1 15 15 SER CB C 9 63.243 63.243 62.662 0.581 18399
6937 1 20 . 1 1 15 15 SER H H 9 7.859 7.859 7.821 0.038 18399
6938 1 20 . 1 1 16 16 ASN N N 10 115.509 115.509 117.511 -2.002 18399
6939 1 20 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.326 -0.134 18399
6940 1 20 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.770 0.191 18399
6941 1 20 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.509 -1.214 18399
6942 1 20 . 1 1 16 16 ASN H H 10 8.229 8.229 7.933 0.296 18399
6943 1 20 . 1 1 17 17 LYS N N 11 120.345 120.345 119.798 0.547 18399
6944 1 20 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.444 -0.189 18399
6945 1 20 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.233 1.114 18399
6946 1 20 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.942 -0.006 18399
6947 1 20 . 1 1 17 17 LYS H H 11 7.315 7.315 7.500 -0.185 18399
6948 1 20 . 1 1 18 18 VAL N N 12 125.270 125.270 124.967 0.303 18399
6949 1 20 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.665 -0.028 18399
6950 1 20 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.264 0.485 18399
6951 1 20 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.810 -0.618 18399
6952 1 20 . 1 1 18 18 VAL H H 12 8.576 8.576 8.248 0.328 18399
6953 1 20 . 1 1 19 19 ILE N N 13 130.928 130.928 128.548 2.380 18399
6954 1 20 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.330 -0.177 18399
6955 1 20 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.614 0.831 18399
6956 1 20 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.026 0.169 18399
6957 1 20 . 1 1 19 19 ILE H H 13 9.486 9.486 8.901 0.585 18399
6958 1 20 . 1 1 20 20 GLN N N 14 124.762 124.762 128.573 -3.811 18399
6959 1 20 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.750 0.312 18399
6960 1 20 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.980 -0.185 18399
6961 1 20 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.541 0.060 18399
6962 1 20 . 1 1 20 20 GLN H H 14 8.803 8.803 8.580 0.223 18399
6963 1 20 . 1 1 21 21 ILE N N 15 126.010 126.010 123.307 2.703 18399
6964 1 20 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.643 -0.130 18399
6965 1 20 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.441 0.198 18399
6966 1 20 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.243 -1.072 18399
6967 1 20 . 1 1 21 21 ILE H H 15 9.076 9.076 8.199 0.877 18399
6968 1 20 . 1 1 22 22 THR N N 16 118.074 118.074 117.245 0.829 18399
6969 1 20 . 1 1 22 22 THR HA H 16 4.904 4.904 4.609 0.295 18399
6970 1 20 . 1 1 22 22 THR CA C 16 61.462 61.462 61.654 -0.192 18399
6971 1 20 . 1 1 22 22 THR CB C 16 69.657 69.657 68.517 1.140 18399
6972 1 20 . 1 1 22 22 THR H H 16 9.047 9.047 8.484 0.563 18399
6973 1 20 . 1 1 23 23 SER N N 17 113.130 113.130 118.393 -5.263 18399
6974 1 20 . 1 1 23 23 SER HA H 17 4.440 4.440 4.637 -0.197 18399
6975 1 20 . 1 1 23 23 SER CA C 17 58.002 58.002 58.620 -0.618 18399
6976 1 20 . 1 1 23 23 SER CB C 17 64.268 64.268 63.678 0.590 18399
6977 1 20 . 1 1 23 23 SER H H 17 7.330 7.330 8.295 -0.965 18399
6978 1 20 . 1 1 24 24 LEU N N 18 123.241 123.241 124.739 -1.498 18399
6979 1 20 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.814 -0.075 18399
6980 1 20 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.559 0.299 18399
6981 1 20 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.959 -2.470 18399
6982 1 20 . 1 1 24 24 LEU H H 18 8.728 8.728 7.923 0.805 18399
6983 1 20 . 1 1 25 25 THR N N 19 111.915 111.915 115.743 -3.828 18399
6984 1 20 . 1 1 25 25 THR HA H 19 4.816 4.816 4.349 0.467 18399
6985 1 20 . 1 1 25 25 THR CA C 19 59.575 59.575 61.654 -2.079 18399
6986 1 20 . 1 1 25 25 THR CB C 19 72.043 72.043 69.839 2.204 18399
6987 1 20 . 1 1 25 25 THR H H 19 9.363 9.363 8.331 1.032 18399
6988 1 20 . 1 1 26 26 ASP N N 20 117.183 117.183 116.847 0.336 18399
6989 1 20 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.714 -0.381 18399
6990 1 20 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.353 2.376 18399
6991 1 20 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.427 -2.045 18399
6992 1 20 . 1 1 26 26 ASP H H 20 8.785 8.785 8.361 0.424 18399
6993 1 20 . 1 1 27 27 ASP N N 21 116.327 116.327 119.193 -2.866 18399
6994 1 20 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.607 0.067 18399
6995 1 20 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.170 -0.400 18399
6996 1 20 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.716 0.578 18399
6997 1 20 . 1 1 27 27 ASP H H 21 7.775 7.775 8.070 -0.295 18399
6998 1 20 . 1 1 28 28 ASN N N 22 117.269 117.269 114.182 3.087 18399
6999 1 20 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.782 0.110 18399
7000 1 20 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.357 1.453 18399
7001 1 20 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.843 1.258 18399
7002 1 20 . 1 1 28 28 ASN H H 22 7.829 7.829 8.054 -0.225 18399
7003 1 20 . 1 1 29 29 THR N N 23 108.639 108.639 113.336 -4.697 18399
7004 1 20 . 1 1 29 29 THR HA H 23 5.206 5.206 3.876 1.330 18399
7005 1 20 . 1 1 29 29 THR CA C 23 59.830 59.830 66.365 -6.535 18399
7006 1 20 . 1 1 29 29 THR CB C 23 72.396 72.396 67.492 4.904 18399
7007 1 20 . 1 1 29 29 THR H H 23 9.145 9.145 7.884 1.261 18399
7008 1 20 . 1 1 30 30 ILE N N 24 120.336 120.336 122.550 -2.214 18399
7009 1 20 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.825 -0.139 18399
7010 1 20 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.347 -3.767 18399
7011 1 20 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.786 -4.442 18399
7012 1 20 . 1 1 30 30 ILE H H 24 8.477 8.477 8.104 0.373 18399
7013 1 20 . 1 1 31 31 ALA N N 25 123.489 123.489 122.292 1.197 18399
7014 1 20 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.073 -0.202 18399
7015 1 20 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.316 0.640 18399
7016 1 20 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.819 0.341 18399
7017 1 20 . 1 1 31 31 ALA H H 25 8.951 8.951 7.736 1.215 18399
7018 1 20 . 1 1 32 32 GLU N N 26 120.101 120.101 119.143 0.958 18399
7019 1 20 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.175 -0.160 18399
7020 1 20 . 1 1 32 32 GLU CA C 26 59.351 59.351 58.807 0.544 18399
7021 1 20 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.087 -0.365 18399
7022 1 20 . 1 1 32 32 GLU H H 26 7.988 7.988 8.539 -0.551 18399
7023 1 20 . 1 1 33 33 LEU N N 27 124.025 124.025 120.229 3.796 18399
7024 1 20 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.032 0.001 18399
7025 1 20 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.823 0.839 18399
7026 1 20 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.135 -1.978 18399
7027 1 20 . 1 1 33 33 LEU H H 27 8.083 8.083 7.895 0.188 18399
7028 1 20 . 1 1 34 34 LYS N N 28 119.471 119.471 118.641 0.830 18399
7029 1 20 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.150 -0.351 18399
7030 1 20 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.626 1.884 18399
7031 1 20 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.659 0.189 18399
7032 1 20 . 1 1 34 34 LYS H H 28 8.746 8.746 8.679 0.067 18399
7033 1 20 . 1 1 35 35 GLY N N 29 106.034 106.034 107.863 -1.829 18399
7034 1 20 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.908 0.134 18399
7035 1 20 . 1 1 35 35 GLY H H 29 8.096 8.096 8.427 -0.331 18399
7036 1 20 . 1 1 36 36 LYS N N 30 121.196 121.196 122.173 -0.977 18399
7037 1 20 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.184 0.053 18399
7038 1 20 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.221 -0.879 18399
7039 1 20 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.301 -1.768 18399
7040 1 20 . 1 1 36 36 LYS H H 30 7.704 7.704 7.833 -0.129 18399
7041 1 20 . 1 1 37 37 LEU N N 31 121.657 121.657 121.235 0.422 18399
7042 1 20 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.080 0.215 18399
7043 1 20 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.157 -0.875 18399
7044 1 20 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.247 -0.055 18399
7045 1 20 . 1 1 37 37 LEU H H 31 7.948 7.948 8.260 -0.312 18399
7046 1 20 . 1 1 38 38 GLU N N 32 123.295 123.295 118.635 4.660 18399
7047 1 20 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.008 0.345 18399
7048 1 20 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.843 0.461 18399
7049 1 20 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.707 0.632 18399
7050 1 20 . 1 1 38 38 GLU H H 32 8.714 8.714 8.262 0.452 18399
7051 1 20 . 1 1 39 39 GLU N N 33 118.296 118.296 119.886 -1.590 18399
7052 1 20 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.084 -0.098 18399
7053 1 20 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.827 0.315 18399
7054 1 20 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.587 0.015 18399
7055 1 20 . 1 1 39 39 GLU H H 33 7.470 7.470 7.871 -0.401 18399
7056 1 20 . 1 1 40 40 SER N N 34 112.266 112.266 114.382 -2.116 18399
7057 1 20 . 1 1 40 40 SER CA C 34 61.150 61.150 60.940 0.210 18399
7058 1 20 . 1 1 40 40 SER CB C 34 63.578 63.578 63.194 0.384 18399
7059 1 20 . 1 1 40 40 SER H H 34 8.054 8.054 7.987 0.067 18399
7060 1 20 . 1 1 41 41 GLU N N 35 116.449 116.449 120.193 -3.744 18399
7061 1 20 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.363 0.004 18399
7062 1 20 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.550 -1.494 18399
7063 1 20 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.908 0.636 18399
7064 1 20 . 1 1 41 41 GLU H H 35 8.908 8.908 7.822 1.086 18399
7065 1 20 . 1 1 42 42 GLY N N 36 108.168 108.168 108.576 -0.408 18399
7066 1 20 . 1 1 42 42 GLY CA C 36 46.424 46.424 45.909 0.515 18399
7067 1 20 . 1 1 42 42 GLY H H 36 7.930 7.930 7.602 0.328 18399
7068 1 20 . 1 1 43 43 ILE N N 37 120.326 120.326 121.524 -1.198 18399
7069 1 20 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.874 -1.144 18399
7070 1 20 . 1 1 43 43 ILE CB C 37 41.219 41.219 41.346 -0.127 18399
7071 1 20 . 1 1 43 43 ILE H H 37 6.446 6.446 7.227 -0.781 18399
7072 1 20 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.628 -0.452 18399
7073 1 20 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.385 0.633 18399
7074 1 20 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.757 -0.598 18399
7075 1 20 . 1 1 45 45 GLY N N 39 111.710 111.710 110.401 1.309 18399
7076 1 20 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.814 0.792 18399
7077 1 20 . 1 1 45 45 GLY H H 39 9.228 9.228 8.692 0.536 18399
7078 1 20 . 1 1 46 46 ASN N N 40 114.967 114.967 115.014 -0.047 18399
7079 1 20 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.669 -0.157 18399
7080 1 20 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.891 0.582 18399
7081 1 20 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.679 -2.170 18399
7082 1 20 . 1 1 46 46 ASN H H 40 8.325 8.325 7.937 0.388 18399
7083 1 20 . 1 1 47 47 MET N N 41 118.446 118.446 118.622 -0.176 18399
7084 1 20 . 1 1 47 47 MET HA H 41 4.557 4.557 4.521 0.036 18399
7085 1 20 . 1 1 47 47 MET CA C 41 54.886 54.886 56.277 -1.391 18399
7086 1 20 . 1 1 47 47 MET CB C 41 32.632 32.632 33.983 -1.351 18399
7087 1 20 . 1 1 47 47 MET H H 41 8.247 8.247 7.920 0.327 18399
7088 1 20 . 1 1 48 48 ILE N N 42 119.569 119.569 115.853 3.716 18399
7089 1 20 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.730 0.366 18399
7090 1 20 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.006 0.743 18399
7091 1 20 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.539 3.897 18399
7092 1 20 . 1 1 48 48 ILE H H 42 7.422 7.422 7.866 -0.444 18399
7093 1 20 . 1 1 49 49 ARG N N 43 127.179 127.179 121.399 5.780 18399
7094 1 20 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.610 -0.030 18399
7095 1 20 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.738 -0.776 18399
7096 1 20 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.607 -1.578 18399
7097 1 20 . 1 1 49 49 ARG H H 43 8.967 8.967 7.921 1.046 18399
7098 1 20 . 1 1 50 50 LEU N N 44 122.639 122.639 123.228 -0.589 18399
7099 1 20 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.268 0.139 18399
7100 1 20 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.295 -0.600 18399
7101 1 20 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.800 2.855 18399
7102 1 20 . 1 1 50 50 LEU H H 44 8.603 8.603 8.499 0.104 18399
7103 1 20 . 1 1 51 51 VAL N N 45 121.931 121.931 119.352 2.579 18399
7104 1 20 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.831 -0.123 18399
7105 1 20 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.815 0.768 18399
7106 1 20 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.768 -0.167 18399
7107 1 20 . 1 1 51 51 VAL H H 45 8.960 8.960 8.410 0.550 18399
7108 1 20 . 1 1 52 52 TYR N N 46 126.384 126.384 129.462 -3.078 18399
7109 1 20 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.866 0.223 18399
7110 1 20 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.211 -0.136 18399
7111 1 20 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.763 1.906 18399
7112 1 20 . 1 1 52 52 TYR H H 46 8.879 8.879 9.061 -0.182 18399
7113 1 20 . 1 1 53 53 GLN N N 47 127.041 127.041 128.309 -1.268 18399
7114 1 20 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.027 -0.371 18399
7115 1 20 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.584 -0.310 18399
7116 1 20 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.578 -2.137 18399
7117 1 20 . 1 1 53 53 GLN H H 47 9.323 9.323 9.501 -0.178 18399
7118 1 20 . 1 1 54 54 GLY N N 48 102.991 102.991 102.675 0.316 18399
7119 1 20 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.002 0.371 18399
7120 1 20 . 1 1 54 54 GLY H H 48 8.358 8.358 8.584 -0.226 18399
7121 1 20 . 1 1 55 55 LYS N N 49 121.595 121.595 121.060 0.535 18399
7122 1 20 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.650 -0.033 18399
7123 1 20 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.259 -0.919 18399
7124 1 20 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399
7125 1 20 . 1 1 55 55 LYS H H 49 7.819 7.819 7.978 -0.159 18399
7126 1 20 . 1 1 56 56 GLN N N 50 122.484 122.484 119.951 2.533 18399
7127 1 20 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.694 -0.109 18399
7128 1 20 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.802 0.976 18399
7129 1 20 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.780 -2.079 18399
7130 1 20 . 1 1 56 56 GLN H H 50 8.757 8.757 8.467 0.290 18399
7131 1 20 . 1 1 57 57 LEU N N 51 125.130 125.130 119.833 5.297 18399
7132 1 20 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.020 0.280 18399
7133 1 20 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.199 -1.060 18399
7134 1 20 . 1 1 57 57 LEU CB C 51 42.225 42.225 40.652 1.573 18399
7135 1 20 . 1 1 57 57 LEU H H 51 8.442 8.442 8.971 -0.529 18399
7136 1 20 . 1 1 58 58 GLU N N 52 122.551 122.551 121.273 1.278 18399
7137 1 20 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.393 0.066 18399
7138 1 20 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.667 -0.557 18399
7139 1 20 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.336 0.710 18399
7140 1 20 . 1 1 58 58 GLU H H 52 8.125 8.125 8.685 -0.560 18399
7141 1 20 . 1 1 59 59 ASP N N 53 122.235 122.235 121.998 0.237 18399
7142 1 20 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.362 -0.217 18399
7143 1 20 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.048 -0.349 18399
7144 1 20 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.777 0.234 18399
7145 1 20 . 1 1 59 59 ASP H H 53 8.346 8.346 8.750 -0.404 18399
7146 1 20 . 1 1 60 60 GLU N N 54 113.128 113.128 117.345 -4.217 18399
7147 1 20 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.116 0.199 18399
7148 1 20 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.189 -0.853 18399
7149 1 20 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.625 -0.583 18399
7150 1 20 . 1 1 60 60 GLU H H 54 8.756 8.756 8.490 0.266 18399
7151 1 20 . 1 1 61 61 LYS N N 55 119.869 119.869 119.201 0.668 18399
7152 1 20 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.383 -0.132 18399
7153 1 20 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.640 1.317 18399
7154 1 20 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.325 1.619 18399
7155 1 20 . 1 1 61 61 LYS H H 55 7.677 7.677 7.714 -0.037 18399
7156 1 20 . 1 1 62 62 ARG N N 56 117.724 117.724 120.235 -2.511 18399
7157 1 20 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399
7158 1 20 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.728 2.392 18399
7159 1 20 . 1 1 62 62 ARG H H 56 8.797 8.797 7.676 1.121 18399
7160 1 20 . 1 1 63 63 LEU N N 57 123.223 123.223 121.729 1.494 18399
7161 1 20 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.230 -0.192 18399
7162 1 20 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.357 2.067 18399
7163 1 20 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.720 -1.322 18399
7164 1 20 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399
7165 1 20 . 1 1 64 64 LYS N N 58 114.073 114.073 117.898 -3.825 18399
7166 1 20 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.058 0.351 18399
7167 1 20 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.114 -1.280 18399
7168 1 20 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.651 -0.527 18399
7169 1 20 . 1 1 64 64 LYS H H 58 8.681 8.681 8.386 0.295 18399
7170 1 20 . 1 1 65 65 ASP N N 59 120.640 120.640 118.622 2.018 18399
7171 1 20 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.510 -0.091 18399
7172 1 20 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.757 0.749 18399
7173 1 20 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.954 -0.906 18399
7174 1 20 . 1 1 65 65 ASP H H 59 7.862 7.862 8.088 -0.226 18399
7175 1 20 . 1 1 66 66 TYR N N 60 117.775 117.775 119.912 -2.137 18399
7176 1 20 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.243 0.373 18399
7177 1 20 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.662 -2.512 18399
7178 1 20 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.043 0.286 18399
7179 1 20 . 1 1 66 66 TYR H H 60 7.545 7.545 7.966 -0.421 18399
7180 1 20 . 1 1 67 67 GLN N N 61 117.450 117.450 117.621 -0.171 18399
7181 1 20 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.970 0.212 18399
7182 1 20 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.411 -0.794 18399
7183 1 20 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.395 -1.817 18399
7184 1 20 . 1 1 67 67 GLN H H 61 8.155 8.155 7.951 0.204 18399
7185 1 20 . 1 1 68 68 MET N N 62 120.193 120.193 118.276 1.917 18399
7186 1 20 . 1 1 68 68 MET HA H 62 4.470 4.470 4.339 0.131 18399
7187 1 20 . 1 1 68 68 MET CA C 62 55.767 55.767 55.771 -0.004 18399
7188 1 20 . 1 1 68 68 MET CB C 62 33.105 33.105 32.733 0.372 18399
7189 1 20 . 1 1 68 68 MET H H 62 7.997 7.997 7.380 0.617 18399
7190 1 20 . 1 1 69 69 SER N N 63 116.722 116.722 112.032 4.690 18399
7191 1 20 . 1 1 69 69 SER HA H 63 4.530 4.530 4.268 0.262 18399
7192 1 20 . 1 1 69 69 SER CA C 63 57.654 57.654 58.892 -1.238 18399
7193 1 20 . 1 1 69 69 SER CB C 63 64.803 64.803 62.124 2.679 18399
7194 1 20 . 1 1 69 69 SER H H 63 8.073 8.073 8.621 -0.548 18399
7195 1 20 . 1 1 70 70 ALA N N 64 123.286 123.286 120.963 2.323 18399
7196 1 20 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.472 -0.216 18399
7197 1 20 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.017 1.549 18399
7198 1 20 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.588 -1.346 18399
7199 1 20 . 1 1 70 70 ALA H H 64 8.492 8.492 8.035 0.457 18399
7200 1 20 . 1 1 71 71 GLY N N 65 110.294 110.294 108.108 2.186 18399
7201 1 20 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.601 0.526 18399
7202 1 20 . 1 1 71 71 GLY H H 65 8.907 8.907 8.030 0.877 18399
7203 1 20 . 1 1 72 72 ALA N N 66 123.229 123.229 128.482 -5.253 18399
7204 1 20 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.153 0.135 18399
7205 1 20 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.293 0.583 18399
7206 1 20 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.457 0.369 18399
7207 1 20 . 1 1 72 72 ALA H H 66 7.572 7.572 8.538 -0.966 18399
7208 1 20 . 1 1 73 73 THR N N 67 116.161 116.161 114.894 1.267 18399
7209 1 20 . 1 1 73 73 THR HA H 67 5.060 5.060 4.505 0.555 18399
7210 1 20 . 1 1 73 73 THR CA C 67 61.493 61.493 60.662 0.831 18399
7211 1 20 . 1 1 73 73 THR CB C 67 71.022 71.022 71.252 -0.230 18399
7212 1 20 . 1 1 73 73 THR H H 67 8.253 8.253 8.640 -0.387 18399
7213 1 20 . 1 1 74 74 PHE N N 68 124.518 124.518 126.033 -1.515 18399
7214 1 20 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.271 0.098 18399
7215 1 20 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.324 -2.311 18399
7216 1 20 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.241 -1.348 18399
7217 1 20 . 1 1 74 74 PHE H H 68 8.989 8.989 8.313 0.676 18399
7218 1 20 . 1 1 75 75 HIS N N 69 120.835 120.835 127.029 -6.194 18399
7219 1 20 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.885 0.261 18399
7220 1 20 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.107 1.024 18399
7221 1 20 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.120 0.464 18399
7222 1 20 . 1 1 75 75 HIS H H 69 9.300 9.300 8.508 0.792 18399
7223 1 20 . 1 1 76 76 MET N N 70 122.731 122.731 122.791 -0.060 18399
7224 1 20 . 1 1 76 76 MET HA H 70 5.199 5.199 4.736 0.463 18399
7225 1 20 . 1 1 76 76 MET CA C 70 54.683 54.683 54.645 0.037 18399
7226 1 20 . 1 1 76 76 MET CB C 70 35.426 35.426 35.845 -0.419 18399
7227 1 20 . 1 1 76 76 MET H H 70 8.563 8.563 8.452 0.111 18399
7228 1 20 . 1 1 77 77 VAL N N 71 128.801 128.801 122.179 6.622 18399
7229 1 20 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.423 -0.146 18399
7230 1 20 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.877 0.466 18399
7231 1 20 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.736 1.921 18399
7232 1 20 . 1 1 77 77 VAL H H 71 9.118 9.118 8.402 0.716 18399
7233 1 20 . 1 1 78 78 VAL N N 72 125.528 125.528 126.959 -1.431 18399
7234 1 20 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.280 0.338 18399
7235 1 20 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.142 0.342 18399
7236 1 20 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.272 0.039 18399
7237 1 20 . 1 1 78 78 VAL H H 72 8.544 8.544 8.346 0.198 18399
7238 1 20 . 1 1 79 79 ALA N N 73 131.664 131.664 132.281 -0.617 18399
7239 1 20 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.817 -0.494 18399
7240 1 20 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.624 0.122 18399
7241 1 20 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.859 0.586 18399
7242 1 20 . 1 1 79 79 ALA H H 73 8.957 8.957 8.610 0.347 18399
7243 1 20 . 1 1 80 80 LEU N N 74 120.722 120.722 118.673 2.049 18399
7244 1 20 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.678 -0.399 18399
7245 1 20 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.101 0.090 18399
7246 1 20 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.103 0.253 18399
7247 1 20 . 1 1 80 80 LEU H H 74 8.193 8.193 8.625 -0.432 18399
7248 1 20 . 1 1 81 81 ARG N N 75 121.022 121.022 120.611 0.411 18399
7249 1 20 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.549 -0.255 18399
7250 1 20 . 1 1 81 81 ARG CA C 75 55.604 55.604 54.927 0.677 18399
7251 1 20 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.425 -0.570 18399
7252 1 20 . 1 1 81 81 ARG H H 75 8.207 8.207 7.967 0.240 18399
7253 1 20 . 1 1 82 82 ALA N N 76 125.815 125.815 122.294 3.521 18399
7254 1 20 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.397 -0.119 18399
7255 1 20 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.933 0.545 18399
7256 1 20 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.275 -0.462 18399
7257 1 20 . 1 1 82 82 ALA H H 76 8.471 8.471 8.333 0.138 18399
7258 1 20 . 1 1 83 83 GLY N N 77 109.110 109.110 107.876 1.234 18399
7259 1 20 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.896 0.440 18399
7260 1 20 . 1 1 83 83 GLY H H 77 8.506 8.506 8.911 -0.405 18399
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 75 2.861 -0.211 2.873 18399
2 1 1 "Average Difference" HA 79 0.327 -0.013 0.329 18399
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18399
4 1 1 "Average Difference" CA 75 1.283 0.090 1.288 18399
5 1 1 "Average Difference" CB 70 1.525 0.005 1.536 18399
6 1 1 "Average Difference" HN 75 0.554 -0.210 0.516 18399
7 1 2 "Average Difference" N 75 2.812 -0.204 2.823 18399
8 1 2 "Average Difference" HA 79 0.325 -0.044 0.324 18399
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18399
10 1 2 "Average Difference" CA 75 1.313 0.050 1.320 18399
11 1 2 "Average Difference" CB 70 1.555 -0.023 1.566 18399
12 1 2 "Average Difference" HN 75 0.562 -0.158 0.544 18399
13 1 3 "Average Difference" N 75 2.799 -0.390 2.790 18399
14 1 3 "Average Difference" HA 79 0.320 -0.037 0.320 18399
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18399
16 1 3 "Average Difference" CA 75 1.273 0.007 1.281 18399
17 1 3 "Average Difference" CB 70 1.531 -0.041 1.541 18399
18 1 3 "Average Difference" HN 75 0.537 -0.185 0.508 18399
19 1 4 "Average Difference" N 75 2.853 -0.167 2.867 18399
20 1 4 "Average Difference" HA 79 0.328 -0.043 0.327 18399
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18399
22 1 4 "Average Difference" CA 75 1.304 0.054 1.312 18399
23 1 4 "Average Difference" CB 70 1.523 -0.005 1.534 18399
24 1 4 "Average Difference" HN 75 0.541 -0.177 0.514 18399
25 1 5 "Average Difference" N 75 2.888 -0.388 2.881 18399
26 1 5 "Average Difference" HA 79 0.326 -0.036 0.326 18399
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18399
28 1 5 "Average Difference" CA 75 1.321 0.089 1.327 18399
29 1 5 "Average Difference" CB 70 1.526 0.016 1.537 18399
30 1 5 "Average Difference" HN 75 0.542 -0.180 0.515 18399
31 1 6 "Average Difference" N 75 2.710 -0.306 2.711 18399
32 1 6 "Average Difference" HA 79 0.337 -0.036 0.338 18399
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18399
34 1 6 "Average Difference" CA 75 1.295 0.035 1.303 18399
35 1 6 "Average Difference" CB 70 1.510 0.011 1.521 18399
36 1 6 "Average Difference" HN 75 0.548 -0.160 0.527 18399
37 1 7 "Average Difference" N 75 2.882 -0.150 2.898 18399
38 1 7 "Average Difference" HA 79 0.297 -0.047 0.295 18399
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18399
40 1 7 "Average Difference" CA 75 1.294 0.110 1.298 18399
41 1 7 "Average Difference" CB 70 1.481 -0.005 1.491 18399
42 1 7 "Average Difference" HN 75 0.539 -0.160 0.518 18399
43 1 8 "Average Difference" N 75 2.726 -0.211 2.737 18399
44 1 8 "Average Difference" HA 79 0.331 -0.034 0.331 18399
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18399
46 1 8 "Average Difference" CA 75 1.295 0.089 1.300 18399
47 1 8 "Average Difference" CB 70 1.538 0.028 1.549 18399
48 1 8 "Average Difference" HN 75 0.553 -0.161 0.532 18399
49 1 9 "Average Difference" N 75 2.755 -0.156 2.769 18399
50 1 9 "Average Difference" HA 79 0.327 -0.045 0.326 18399
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18399
52 1 9 "Average Difference" CA 75 1.348 0.122 1.352 18399
53 1 9 "Average Difference" CB 70 1.478 -0.059 1.487 18399
54 1 9 "Average Difference" HN 75 0.551 -0.180 0.524 18399
55 1 10 "Average Difference" N 75 2.745 -0.176 2.758 18399
56 1 10 "Average Difference" HA 79 0.329 -0.046 0.328 18399
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18399
58 1 10 "Average Difference" CA 75 1.296 0.038 1.304 18399
59 1 10 "Average Difference" CB 70 1.512 0.050 1.522 18399
60 1 10 "Average Difference" HN 75 0.541 -0.166 0.518 18399
61 1 11 "Average Difference" N 75 2.761 -0.218 2.771 18399
62 1 11 "Average Difference" HA 79 0.334 -0.027 0.335 18399
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18399
64 1 11 "Average Difference" CA 75 1.272 0.090 1.277 18399
65 1 11 "Average Difference" CB 70 1.521 -0.015 1.532 18399
66 1 11 "Average Difference" HN 75 0.536 -0.162 0.515 18399
67 1 12 "Average Difference" N 75 2.700 -0.235 2.708 18399
68 1 12 "Average Difference" HA 79 0.346 -0.010 0.348 18399
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18399
70 1 12 "Average Difference" CA 75 1.297 0.035 1.305 18399
71 1 12 "Average Difference" CB 70 1.508 -0.013 1.519 18399
72 1 12 "Average Difference" HN 75 0.540 -0.177 0.513 18399
73 1 13 "Average Difference" N 75 2.793 -0.165 2.807 18399
74 1 13 "Average Difference" HA 79 0.321 -0.031 0.321 18399
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18399
76 1 13 "Average Difference" CA 75 1.262 0.070 1.268 18399
77 1 13 "Average Difference" CB 70 1.506 0.007 1.516 18399
78 1 13 "Average Difference" HN 75 0.543 -0.193 0.512 18399
79 1 14 "Average Difference" N 75 2.789 -0.256 2.796 18399
80 1 14 "Average Difference" HA 79 0.324 -0.037 0.324 18399
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18399
82 1 14 "Average Difference" CA 75 1.287 0.069 1.294 18399
83 1 14 "Average Difference" CB 70 1.477 0.016 1.488 18399
84 1 14 "Average Difference" HN 75 0.567 -0.180 0.541 18399
85 1 15 "Average Difference" N 75 2.867 -0.266 2.874 18399
86 1 15 "Average Difference" HA 79 0.325 -0.040 0.325 18399
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18399
88 1 15 "Average Difference" CA 75 1.289 0.063 1.296 18399
89 1 15 "Average Difference" CB 70 1.494 0.028 1.504 18399
90 1 15 "Average Difference" HN 75 0.576 -0.165 0.556 18399
91 1 16 "Average Difference" N 75 2.860 -0.259 2.867 18399
92 1 16 "Average Difference" HA 79 0.307 -0.016 0.308 18399
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18399
94 1 16 "Average Difference" CA 75 1.309 0.039 1.317 18399
95 1 16 "Average Difference" CB 70 1.478 0.041 1.489 18399
96 1 16 "Average Difference" HN 75 0.561 -0.193 0.530 18399
97 1 17 "Average Difference" N 75 2.768 -0.206 2.779 18399
98 1 17 "Average Difference" HA 79 0.319 -0.053 0.316 18399
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18399
100 1 17 "Average Difference" CA 75 1.325 0.080 1.332 18399
101 1 17 "Average Difference" CB 70 1.544 -0.012 1.555 18399
102 1 17 "Average Difference" HN 75 0.547 -0.189 0.517 18399
103 1 18 "Average Difference" N 75 2.806 -0.167 2.820 18399
104 1 18 "Average Difference" HA 79 0.305 -0.045 0.303 18399
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18399
106 1 18 "Average Difference" CA 75 1.294 0.079 1.301 18399
107 1 18 "Average Difference" CB 70 1.522 -0.005 1.533 18399
108 1 18 "Average Difference" HN 75 0.558 -0.162 0.538 18399
109 1 19 "Average Difference" N 75 2.816 -0.238 2.825 18399
110 1 19 "Average Difference" HA 79 0.324 -0.028 0.325 18399
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18399
112 1 19 "Average Difference" CA 75 1.320 0.070 1.327 18399
113 1 19 "Average Difference" CB 70 1.516 -0.032 1.527 18399
114 1 19 "Average Difference" HN 75 0.542 -0.184 0.514 18399
115 1 20 "Average Difference" N 75 2.753 -0.092 2.770 18399
116 1 20 "Average Difference" HA 79 0.320 -0.026 0.321 18399
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18399
118 1 20 "Average Difference" CA 75 1.296 0.045 1.304 18399
119 1 20 "Average Difference" CB 70 1.531 0.035 1.541 18399
120 1 20 "Average Difference" HN 75 0.542 -0.175 0.516 18399
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 18399
_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 8 8 LEU N N 2 125.142 125.142 121.980 3.162 18399
2 1 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.064 -0.590 18399
3 1 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.003 1.273 18399
4 1 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.558 -1.656 18399
5 1 . 1 1 8 8 LEU H H 2 8.251 8.251 7.725 0.526 18399
6 1 . 1 1 9 9 LEU N N 3 126.326 126.326 121.513 4.813 18399
7 1 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399
8 1 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.291 -0.248 18399
9 1 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.057 -1.549 18399
10 1 . 1 1 9 9 LEU H H 3 8.307 8.307 8.135 0.172 18399
11 1 . 1 1 10 10 LYS N N 4 121.349 121.349 123.644 -2.295 18399
12 1 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.031 0.049 18399
13 1 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.692 -0.060 18399
14 1 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.033 0.392 18399
15 1 . 1 1 10 10 LYS H H 4 8.428 8.428 8.506 -0.078 18399
16 1 . 1 1 11 11 VAL N N 5 122.408 122.408 122.764 -0.356 18399
17 1 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.882 -0.194 18399
18 1 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.607 0.719 18399
19 1 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.650 1.180 18399
20 1 . 1 1 11 11 VAL H H 5 9.088 9.088 8.484 0.604 18399
21 1 . 1 1 12 12 LYS N N 6 127.778 127.778 125.489 2.289 18399
22 1 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.215 0.137 18399
23 1 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.978 0.697 18399
24 1 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.093 -0.909 18399
25 1 . 1 1 12 12 LYS H H 6 9.029 9.029 8.576 0.453 18399
26 1 . 1 1 13 13 THR N N 7 116.723 116.723 117.597 -0.874 18399
27 1 . 1 1 13 13 THR HA H 7 4.860 4.860 4.637 0.223 18399
28 1 . 1 1 13 13 THR CA C 7 60.392 60.392 60.494 -0.102 18399
29 1 . 1 1 13 13 THR CB C 7 71.189 71.189 70.403 0.786 18399
30 1 . 1 1 13 13 THR H H 7 8.790 8.790 8.267 0.523 18399
31 1 . 1 1 14 14 VAL N N 8 119.340 119.340 121.626 -2.286 18399
32 1 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.077 0.026 18399
33 1 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.313 0.399 18399
34 1 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.741 -0.581 18399
35 1 . 1 1 14 14 VAL H H 8 8.872 8.872 8.615 0.257 18399
36 1 . 1 1 15 15 SER N N 9 114.630 114.630 114.822 -0.192 18399
37 1 . 1 1 15 15 SER HA H 9 4.513 4.513 4.474 0.039 18399
38 1 . 1 1 15 15 SER CA C 9 57.913 57.913 58.467 -0.554 18399
39 1 . 1 1 15 15 SER CB C 9 63.243 63.243 62.971 0.272 18399
40 1 . 1 1 15 15 SER H H 9 7.859 7.859 7.892 -0.033 18399
41 1 . 1 1 16 16 ASN N N 10 115.509 115.509 117.637 -2.128 18399
42 1 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.415 -0.223 18399
43 1 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.662 0.299 18399
44 1 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.452 -1.157 18399
45 1 . 1 1 16 16 ASN H H 10 8.229 8.229 7.948 0.281 18399
46 1 . 1 1 17 17 LYS N N 11 120.345 120.345 119.817 0.528 18399
47 1 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.456 -0.201 18399
48 1 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.141 1.206 18399
49 1 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.902 0.034 18399
50 1 . 1 1 17 17 LYS H H 11 7.315 7.315 7.580 -0.265 18399
51 1 . 1 1 18 18 VAL N N 12 125.270 125.270 125.006 0.265 18399
52 1 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.584 0.053 18399
53 1 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.432 0.317 18399
54 1 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.717 -0.525 18399
55 1 . 1 1 18 18 VAL H H 12 8.576 8.576 8.221 0.355 18399
56 1 . 1 1 19 19 ILE N N 13 130.928 130.928 128.053 2.875 18399
57 1 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.397 -0.244 18399
58 1 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.515 0.930 18399
59 1 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.748 0.447 18399
60 1 . 1 1 19 19 ILE H H 13 9.486 9.486 8.876 0.610 18399
61 1 . 1 1 20 20 GLN N N 14 124.762 124.762 127.194 -2.432 18399
62 1 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.811 0.251 18399
63 1 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.770 0.025 18399
64 1 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.414 0.187 18399
65 1 . 1 1 20 20 GLN H H 14 8.803 8.803 8.508 0.294 18399
66 1 . 1 1 21 21 ILE N N 15 126.010 126.010 121.363 4.647 18399
67 1 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.641 -0.128 18399
68 1 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.584 0.055 18399
69 1 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.565 -1.394 18399
70 1 . 1 1 21 21 ILE H H 15 9.076 9.076 8.147 0.929 18399
71 1 . 1 1 22 22 THR N N 16 118.074 118.074 117.224 0.850 18399
72 1 . 1 1 22 22 THR HA H 16 4.904 4.904 4.540 0.364 18399
73 1 . 1 1 22 22 THR CA C 16 61.462 61.462 61.502 -0.040 18399
74 1 . 1 1 22 22 THR CB C 16 69.657 69.657 68.467 1.190 18399
75 1 . 1 1 22 22 THR H H 16 9.047 9.047 8.482 0.565 18399
76 1 . 1 1 23 23 SER N N 17 113.130 113.130 118.035 -4.905 18399
77 1 . 1 1 23 23 SER HA H 17 4.440 4.440 4.614 -0.174 18399
78 1 . 1 1 23 23 SER CA C 17 58.002 58.002 58.521 -0.519 18399
79 1 . 1 1 23 23 SER CB C 17 64.268 64.268 63.622 0.646 18399
80 1 . 1 1 23 23 SER H H 17 7.330 7.330 8.161 -0.831 18399
81 1 . 1 1 24 24 LEU N N 18 123.241 123.241 125.083 -1.842 18399
82 1 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.751 -0.012 18399
83 1 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.870 -0.012 18399
84 1 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.729 -2.239 18399
85 1 . 1 1 24 24 LEU H H 18 8.728 8.728 7.990 0.738 18399
86 1 . 1 1 25 25 THR N N 19 111.915 111.915 115.091 -3.176 18399
87 1 . 1 1 25 25 THR HA H 19 4.816 4.816 4.324 0.492 18399
88 1 . 1 1 25 25 THR CA C 19 59.575 59.575 61.471 -1.896 18399
89 1 . 1 1 25 25 THR CB C 19 72.043 72.043 70.056 1.987 18399
90 1 . 1 1 25 25 THR H H 19 9.363 9.363 8.350 1.013 18399
91 1 . 1 1 26 26 ASP N N 20 117.183 117.183 116.229 0.954 18399
92 1 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.626 -0.293 18399
93 1 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.609 2.120 18399
94 1 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.208 -1.826 18399
95 1 . 1 1 26 26 ASP H H 20 8.785 8.785 8.351 0.434 18399
96 1 . 1 1 27 27 ASP N N 21 116.327 116.327 118.998 -2.671 18399
97 1 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.588 0.086 18399
98 1 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.220 -1.450 18399
99 1 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.991 0.303 18399
100 1 . 1 1 27 27 ASP H H 21 7.775 7.775 8.261 -0.486 18399
101 1 . 1 1 28 28 ASN N N 22 117.269 117.269 113.794 3.475 18399
102 1 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.807 0.085 18399
103 1 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.352 1.458 18399
104 1 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.499 0.602 18399
105 1 . 1 1 28 28 ASN H H 22 7.829 7.829 8.392 -0.563 18399
106 1 . 1 1 29 29 THR N N 23 108.639 108.639 114.440 -5.801 18399
107 1 . 1 1 29 29 THR HA H 23 5.206 5.206 3.860 1.346 18399
108 1 . 1 1 29 29 THR CA C 23 59.830 59.830 66.113 -6.283 18399
109 1 . 1 1 29 29 THR CB C 23 72.396 72.396 67.683 4.713 18399
110 1 . 1 1 29 29 THR H H 23 9.145 9.145 8.100 1.045 18399
111 1 . 1 1 30 30 ILE N N 24 120.336 120.336 122.627 -2.291 18399
112 1 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.831 -0.145 18399
113 1 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.117 -3.537 18399
114 1 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.751 -4.407 18399
115 1 . 1 1 30 30 ILE H H 24 8.477 8.477 8.149 0.328 18399
116 1 . 1 1 31 31 ALA N N 25 123.489 123.489 122.510 0.979 18399
117 1 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.120 -0.249 18399
118 1 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.320 0.636 18399
119 1 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.005 0.154 18399
120 1 . 1 1 31 31 ALA H H 25 8.951 8.951 7.706 1.245 18399
121 1 . 1 1 32 32 GLU N N 26 120.101 120.101 119.162 0.939 18399
122 1 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.143 -0.128 18399
123 1 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.159 0.192 18399
124 1 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.264 -0.542 18399
125 1 . 1 1 32 32 GLU H H 26 7.988 7.988 8.538 -0.550 18399
126 1 . 1 1 33 33 LEU N N 27 124.025 124.025 120.316 3.709 18399
127 1 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.046 -0.014 18399
128 1 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.811 0.851 18399
129 1 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.021 -1.864 18399
130 1 . 1 1 33 33 LEU H H 27 8.083 8.083 7.742 0.341 18399
131 1 . 1 1 34 34 LYS N N 28 119.471 119.471 118.591 0.880 18399
132 1 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.139 -0.340 18399
133 1 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.659 1.851 18399
134 1 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.727 0.121 18399
135 1 . 1 1 34 34 LYS H H 28 8.746 8.746 8.672 0.074 18399
136 1 . 1 1 35 35 GLY N N 29 106.034 106.034 107.874 -1.840 18399
137 1 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.877 0.165 18399
138 1 . 1 1 35 35 GLY H H 29 8.096 8.096 8.429 -0.333 18399
139 1 . 1 1 36 36 LYS N N 30 121.196 121.196 122.156 -0.960 18399
140 1 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.156 0.081 18399
141 1 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.687 -1.345 18399
142 1 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.337 -1.804 18399
143 1 . 1 1 36 36 LYS H H 30 7.704 7.704 7.816 -0.112 18399
144 1 . 1 1 37 37 LEU N N 31 121.657 121.657 120.992 0.666 18399
145 1 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.046 0.249 18399
146 1 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.046 -0.764 18399
147 1 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.065 0.128 18399
148 1 . 1 1 37 37 LEU H H 31 7.948 7.948 8.069 -0.121 18399
149 1 . 1 1 38 38 GLU N N 32 123.295 123.295 118.598 4.697 18399
150 1 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.996 0.358 18399
151 1 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.842 0.462 18399
152 1 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.909 0.430 18399
153 1 . 1 1 38 38 GLU H H 32 8.714 8.714 8.144 0.570 18399
154 1 . 1 1 39 39 GLU N N 33 118.296 118.296 119.724 -1.428 18399
155 1 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.086 -0.100 18399
156 1 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.761 0.381 18399
157 1 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.546 0.056 18399
158 1 . 1 1 39 39 GLU H H 33 7.470 7.470 7.902 -0.432 18399
159 1 . 1 1 40 40 SER N N 34 112.266 112.266 114.517 -2.251 18399
160 1 . 1 1 40 40 SER CA C 34 61.150 61.150 61.026 0.124 18399
161 1 . 1 1 40 40 SER CB C 34 63.578 63.578 63.225 0.353 18399
162 1 . 1 1 40 40 SER H H 34 8.054 8.054 7.820 0.234 18399
163 1 . 1 1 41 41 GLU N N 35 116.449 116.449 119.290 -2.841 18399
164 1 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.373 -0.006 18399
165 1 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.535 -1.479 18399
166 1 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.214 0.330 18399
167 1 . 1 1 41 41 GLU H H 35 8.908 8.908 7.789 1.119 18399
168 1 . 1 1 42 42 GLY N N 36 108.168 108.168 108.665 -0.497 18399
169 1 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.073 0.351 18399
170 1 . 1 1 42 42 GLY H H 36 7.930 7.930 7.897 0.033 18399
171 1 . 1 1 43 43 ILE N N 37 120.326 120.326 117.111 3.215 18399
172 1 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.590 -0.860 18399
173 1 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.628 1.591 18399
174 1 . 1 1 43 43 ILE H H 37 6.446 6.446 7.286 -0.840 18399
175 1 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.616 -0.440 18399
176 1 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.563 0.455 18399
177 1 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.685 -0.526 18399
178 1 . 1 1 45 45 GLY N N 39 111.710 111.710 109.975 1.735 18399
179 1 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.709 0.898 18399
180 1 . 1 1 45 45 GLY H H 39 9.228 9.228 8.752 0.476 18399
181 1 . 1 1 46 46 ASN N N 40 114.967 114.967 114.478 0.489 18399
182 1 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.675 -0.163 18399
183 1 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.474 0.999 18399
184 1 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.317 -1.807 18399
185 1 . 1 1 46 46 ASN H H 40 8.325 8.325 7.998 0.327 18399
186 1 . 1 1 47 47 MET N N 41 118.446 118.446 119.229 -0.783 18399
187 1 . 1 1 47 47 MET HA H 41 4.557 4.557 4.501 0.056 18399
188 1 . 1 1 47 47 MET CA C 41 54.886 54.886 56.444 -1.558 18399
189 1 . 1 1 47 47 MET CB C 41 32.632 32.632 33.802 -1.170 18399
190 1 . 1 1 47 47 MET H H 41 8.247 8.247 7.938 0.309 18399
191 1 . 1 1 48 48 ILE N N 42 119.569 119.569 116.788 2.781 18399
192 1 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.781 0.315 18399
193 1 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.782 0.967 18399
194 1 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.157 4.279 18399
195 1 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399
196 1 . 1 1 49 49 ARG N N 43 127.179 127.179 121.578 5.601 18399
197 1 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.604 -0.024 18399
198 1 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.447 -0.485 18399
199 1 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.078 -1.049 18399
200 1 . 1 1 49 49 ARG H H 43 8.967 8.967 7.892 1.075 18399
201 1 . 1 1 50 50 LEU N N 44 122.639 122.639 122.111 0.528 18399
202 1 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.182 0.225 18399
203 1 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.299 -0.604 18399
204 1 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.875 2.780 18399
205 1 . 1 1 50 50 LEU H H 44 8.603 8.603 8.448 0.155 18399
206 1 . 1 1 51 51 VAL N N 45 121.931 121.931 118.775 3.156 18399
207 1 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.824 -0.116 18399
208 1 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.784 -0.201 18399
209 1 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.364 1.237 18399
210 1 . 1 1 51 51 VAL H H 45 8.960 8.960 8.380 0.580 18399
211 1 . 1 1 52 52 TYR N N 46 126.384 126.384 128.624 -2.240 18399
212 1 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.823 0.266 18399
213 1 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.348 -0.273 18399
214 1 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.910 1.759 18399
215 1 . 1 1 52 52 TYR H H 46 8.879 8.879 8.917 -0.038 18399
216 1 . 1 1 53 53 GLN N N 47 127.041 127.041 128.160 -1.119 18399
217 1 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.977 -0.321 18399
218 1 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.596 -0.322 18399
219 1 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.549 -2.108 18399
220 1 . 1 1 53 53 GLN H H 47 9.323 9.323 9.460 -0.137 18399
221 1 . 1 1 54 54 GLY N N 48 102.991 102.991 102.248 0.743 18399
222 1 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.202 0.171 18399
223 1 . 1 1 54 54 GLY H H 48 8.358 8.358 8.609 -0.251 18399
224 1 . 1 1 55 55 LYS N N 49 121.595 121.595 120.827 0.768 18399
225 1 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.670 -0.053 18399
226 1 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.920 -0.580 18399
227 1 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.678 -0.477 18399
228 1 . 1 1 55 55 LYS H H 49 7.819 7.819 7.982 -0.163 18399
229 1 . 1 1 56 56 GLN N N 50 122.484 122.484 119.246 3.238 18399
230 1 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.720 -0.135 18399
231 1 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.609 1.169 18399
232 1 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.901 -2.200 18399
233 1 . 1 1 56 56 GLN H H 50 8.757 8.757 8.372 0.385 18399
234 1 . 1 1 57 57 LEU N N 51 125.130 125.130 120.409 4.721 18399
235 1 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.026 0.274 18399
236 1 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.430 -1.291 18399
237 1 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.283 0.942 18399
238 1 . 1 1 57 57 LEU H H 51 8.442 8.442 8.844 -0.402 18399
239 1 . 1 1 58 58 GLU N N 52 122.551 122.551 120.735 1.816 18399
240 1 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.461 -0.002 18399
241 1 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.491 -0.381 18399
242 1 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.294 0.752 18399
243 1 . 1 1 58 58 GLU H H 52 8.125 8.125 8.666 -0.541 18399
244 1 . 1 1 59 59 ASP N N 53 122.235 122.235 121.931 0.304 18399
245 1 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.349 -0.204 18399
246 1 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.989 -0.290 18399
247 1 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.818 0.193 18399
248 1 . 1 1 59 59 ASP H H 53 8.346 8.346 8.701 -0.355 18399
249 1 . 1 1 60 60 GLU N N 54 113.128 113.128 117.005 -3.877 18399
250 1 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.133 0.182 18399
251 1 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.201 -0.865 18399
252 1 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.562 -0.520 18399
253 1 . 1 1 60 60 GLU H H 54 8.756 8.756 8.519 0.237 18399
254 1 . 1 1 61 61 LYS N N 55 119.869 119.869 119.225 0.644 18399
255 1 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.418 -0.167 18399
256 1 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.673 1.284 18399
257 1 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.488 1.456 18399
258 1 . 1 1 61 61 LYS H H 55 7.677 7.677 7.703 -0.026 18399
259 1 . 1 1 62 62 ARG N N 56 117.724 117.724 120.187 -2.463 18399
260 1 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.161 0.563 18399
261 1 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.739 2.381 18399
262 1 . 1 1 62 62 ARG H H 56 8.797 8.797 7.666 1.131 18399
263 1 . 1 1 63 63 LEU N N 57 123.223 123.223 121.666 1.557 18399
264 1 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.215 -0.177 18399
265 1 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.402 2.022 18399
266 1 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.691 -1.293 18399
267 1 . 1 1 63 63 LEU H H 57 8.728 8.728 8.407 0.321 18399
268 1 . 1 1 64 64 LYS N N 58 114.073 114.073 118.399 -4.326 18399
269 1 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.008 0.401 18399
270 1 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.135 -1.301 18399
271 1 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.600 -0.476 18399
272 1 . 1 1 64 64 LYS H H 58 8.681 8.681 8.288 0.393 18399
273 1 . 1 1 65 65 ASP N N 59 120.640 120.640 118.856 1.784 18399
274 1 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.551 -0.132 18399
275 1 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.895 0.611 18399
276 1 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.896 -0.848 18399
277 1 . 1 1 65 65 ASP H H 59 7.862 7.862 8.113 -0.251 18399
278 1 . 1 1 66 66 TYR N N 60 117.775 117.775 120.257 -2.482 18399
279 1 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.271 0.345 18399
280 1 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.526 -2.376 18399
281 1 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.966 0.363 18399
282 1 . 1 1 66 66 TYR H H 60 7.545 7.545 8.015 -0.470 18399
283 1 . 1 1 67 67 GLN N N 61 117.450 117.450 117.374 0.076 18399
284 1 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.041 0.142 18399
285 1 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.177 -0.560 18399
286 1 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.433 -1.855 18399
287 1 . 1 1 67 67 GLN H H 61 8.155 8.155 7.830 0.324 18399
288 1 . 1 1 68 68 MET N N 62 120.193 120.193 118.225 1.968 18399
289 1 . 1 1 68 68 MET HA H 62 4.470 4.470 4.387 0.083 18399
290 1 . 1 1 68 68 MET CA C 62 55.767 55.767 55.711 0.056 18399
291 1 . 1 1 68 68 MET CB C 62 33.105 33.105 32.733 0.372 18399
292 1 . 1 1 68 68 MET H H 62 7.997 7.997 7.414 0.583 18399
293 1 . 1 1 69 69 SER N N 63 116.722 116.722 112.112 4.610 18399
294 1 . 1 1 69 69 SER HA H 63 4.530 4.530 4.210 0.320 18399
295 1 . 1 1 69 69 SER CA C 63 57.654 57.654 59.537 -1.882 18399
296 1 . 1 1 69 69 SER CB C 63 64.803 64.803 62.214 2.589 18399
297 1 . 1 1 69 69 SER H H 63 8.073 8.073 8.648 -0.575 18399
298 1 . 1 1 70 70 ALA N N 64 123.286 123.286 120.216 3.070 18399
299 1 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.470 -0.214 18399
300 1 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.090 1.476 18399
301 1 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.473 -1.231 18399
302 1 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399
303 1 . 1 1 71 71 GLY N N 65 110.294 110.294 108.029 2.265 18399
304 1 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.633 0.494 18399
305 1 . 1 1 71 71 GLY H H 65 8.907 8.907 8.040 0.866 18399
306 1 . 1 1 72 72 ALA N N 66 123.229 123.229 128.783 -5.554 18399
307 1 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.226 0.062 18399
308 1 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.233 0.643 18399
309 1 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399
310 1 . 1 1 72 72 ALA H H 66 7.572 7.572 8.629 -1.057 18399
311 1 . 1 1 73 73 THR N N 67 116.161 116.161 115.144 1.017 18399
312 1 . 1 1 73 73 THR HA H 67 5.060 5.060 4.509 0.551 18399
313 1 . 1 1 73 73 THR CA C 67 61.493 61.493 60.252 1.240 18399
314 1 . 1 1 73 73 THR CB C 67 71.022 71.022 71.138 -0.116 18399
315 1 . 1 1 73 73 THR H H 67 8.253 8.253 8.651 -0.398 18399
316 1 . 1 1 74 74 PHE N N 68 124.518 124.518 126.161 -1.643 18399
317 1 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.208 0.161 18399
318 1 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.180 -2.167 18399
319 1 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.788 -0.895 18399
320 1 . 1 1 74 74 PHE H H 68 8.989 8.989 8.406 0.583 18399
321 1 . 1 1 75 75 HIS N N 69 120.835 120.835 126.794 -5.959 18399
322 1 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.837 0.309 18399
323 1 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.923 1.208 18399
324 1 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.600 -0.016 18399
325 1 . 1 1 75 75 HIS H H 69 9.300 9.300 8.699 0.601 18399
326 1 . 1 1 76 76 MET N N 70 122.731 122.731 122.585 0.146 18399
327 1 . 1 1 76 76 MET HA H 70 5.199 5.199 4.654 0.545 18399
328 1 . 1 1 76 76 MET CA C 70 54.683 54.683 54.675 0.008 18399
329 1 . 1 1 76 76 MET CB C 70 35.426 35.426 35.806 -0.380 18399
330 1 . 1 1 76 76 MET H H 70 8.563 8.563 8.269 0.294 18399
331 1 . 1 1 77 77 VAL N N 71 128.801 128.801 126.035 2.766 18399
332 1 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.381 -0.104 18399
333 1 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.555 0.788 18399
334 1 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.380 1.276 18399
335 1 . 1 1 77 77 VAL H H 71 9.118 9.118 8.497 0.621 18399
336 1 . 1 1 78 78 VAL N N 72 125.528 125.528 128.612 -3.084 18399
337 1 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.245 0.373 18399
338 1 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.125 0.360 18399
339 1 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.803 0.508 18399
340 1 . 1 1 78 78 VAL H H 72 8.544 8.544 8.423 0.121 18399
341 1 . 1 1 79 79 ALA N N 73 131.664 131.664 131.432 0.232 18399
342 1 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.687 -0.364 18399
343 1 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.502 0.244 18399
344 1 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.888 0.557 18399
345 1 . 1 1 79 79 ALA H H 73 8.957 8.957 8.488 0.469 18399
346 1 . 1 1 80 80 LEU N N 74 120.722 120.722 120.876 -0.154 18399
347 1 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.368 -0.089 18399
348 1 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.474 -0.283 18399
349 1 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.768 0.588 18399
350 1 . 1 1 80 80 LEU H H 74 8.193 8.193 8.461 -0.268 18399
351 1 . 1 1 81 81 ARG N N 75 121.022 121.022 120.563 0.459 18399
352 1 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.375 -0.081 18399
353 1 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.343 -0.739 18399
354 1 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.784 0.072 18399
355 1 . 1 1 81 81 ARG H H 75 8.207 8.207 8.132 0.075 18399
356 1 . 1 1 82 82 ALA N N 76 125.815 125.815 121.071 4.744 18399
357 1 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.430 -0.152 18399
358 1 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.969 0.509 18399
359 1 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.862 -1.049 18399
360 1 . 1 1 82 82 ALA H H 76 8.471 8.471 8.117 0.354 18399
361 1 . 1 1 83 83 GLY N N 77 109.110 109.110 107.799 1.311 18399
362 1 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.116 0.220 18399
363 1 . 1 1 83 83 GLY H H 77 8.506 8.506 8.792 -0.286 18399
stop_
save_