data_18492
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18492
_Entry.PDB_ID 2LTP
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 18492
_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 20 20 THR N N 2 114.872 114.872 120.934 -6.062 18492
2 1 1 . 1 1 20 20 THR HA H 2 4.639 4.639 4.441 0.198 18492
3 1 1 . 1 1 20 20 THR C C 2 175.858 175.858 175.665 0.193 18492
4 1 1 . 1 1 20 20 THR CA C 2 59.992 59.992 62.696 -2.704 18492
5 1 1 . 1 1 20 20 THR CB C 2 71.359 71.359 70.056 1.302 18492
6 1 1 . 1 1 20 20 THR H H 2 9.423 9.423 8.490 0.933 18492
7 1 1 . 1 1 21 21 GLU N N 3 121.694 121.694 124.535 -2.841 18492
8 1 1 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.004 0.015 18492
9 1 1 . 1 1 21 21 GLU C C 3 179.808 179.808 178.688 1.120 18492
10 1 1 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.785 0.457 18492
11 1 1 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.513 -0.180 18492
12 1 1 . 1 1 21 21 GLU H H 3 9.120 9.120 9.055 0.065 18492
13 1 1 . 1 1 22 22 GLU N N 4 120.617 120.617 118.712 1.905 18492
14 1 1 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.067 0.035 18492
15 1 1 . 1 1 22 22 GLU C C 4 179.604 179.604 178.784 0.820 18492
16 1 1 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.346 0.557 18492
17 1 1 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.258 -0.089 18492
18 1 1 . 1 1 22 22 GLU H H 4 8.735 8.735 8.817 -0.082 18492
19 1 1 . 1 1 23 23 GLU N N 5 120.811 120.811 118.859 1.952 18492
20 1 1 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.197 -0.123 18492
21 1 1 . 1 1 23 23 GLU C C 5 179.511 179.511 179.272 0.239 18492
22 1 1 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.500 0.967 18492
23 1 1 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.155 2.258 18492
24 1 1 . 1 1 23 23 GLU H H 5 7.887 7.887 7.801 0.086 18492
25 1 1 . 1 1 24 24 MET N N 6 117.260 117.260 118.854 -1.594 18492
26 1 1 . 1 1 24 24 MET HA H 6 3.665 3.665 4.440 -0.775 18492
27 1 1 . 1 1 24 24 MET C C 6 178.480 178.480 179.107 -0.627 18492
28 1 1 . 1 1 24 24 MET CA C 6 60.134 60.134 58.508 1.627 18492
29 1 1 . 1 1 24 24 MET CB C 6 33.059 33.059 31.961 1.098 18492
30 1 1 . 1 1 24 24 MET H H 6 8.607 8.607 8.825 -0.218 18492
31 1 1 . 1 1 25 25 GLY N N 7 106.564 106.564 106.688 -0.124 18492
32 1 1 . 1 1 25 25 GLY C C 7 177.376 177.376 175.744 1.632 18492
33 1 1 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.036 0.296 18492
34 1 1 . 1 1 25 25 GLY H H 7 8.494 8.494 8.121 0.373 18492
35 1 1 . 1 1 26 26 THR N N 8 121.127 121.127 118.571 2.556 18492
36 1 1 . 1 1 26 26 THR HA H 8 3.956 3.956 4.102 -0.146 18492
37 1 1 . 1 1 26 26 THR C C 8 175.895 175.895 175.913 -0.018 18492
38 1 1 . 1 1 26 26 THR CA C 8 66.737 66.737 65.789 0.948 18492
39 1 1 . 1 1 26 26 THR CB C 8 67.623 67.623 68.670 -1.047 18492
40 1 1 . 1 1 26 26 THR H H 8 8.242 8.242 7.778 0.464 18492
41 1 1 . 1 1 27 27 ALA N N 9 125.226 125.226 124.289 0.937 18492
42 1 1 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.292 -0.413 18492
43 1 1 . 1 1 27 27 ALA C C 9 179.361 179.361 179.042 0.319 18492
44 1 1 . 1 1 27 27 ALA CA C 9 55.744 55.744 54.969 0.774 18492
45 1 1 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.223 -0.534 18492
46 1 1 . 1 1 27 27 ALA H H 9 8.605 8.605 8.155 0.450 18492
47 1 1 . 1 1 28 28 LYS N N 10 116.449 116.449 119.247 -2.798 18492
48 1 1 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.079 -0.185 18492
49 1 1 . 1 1 28 28 LYS C C 10 179.264 179.264 178.549 0.715 18492
50 1 1 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.343 1.911 18492
51 1 1 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.230 -0.038 18492
52 1 1 . 1 1 28 28 LYS H H 10 8.149 8.149 8.087 0.062 18492
53 1 1 . 1 1 29 29 LYS N N 11 121.248 121.248 118.895 2.353 18492
54 1 1 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.074 -0.047 18492
55 1 1 . 1 1 29 29 LYS C C 11 179.168 179.168 178.579 0.589 18492
56 1 1 . 1 1 29 29 LYS CA C 11 59.611 59.611 59.030 0.581 18492
57 1 1 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.954 0.155 18492
58 1 1 . 1 1 29 29 LYS H H 11 7.747 7.747 7.880 -0.133 18492
59 1 1 . 1 1 30 30 GLY N N 12 108.727 108.727 107.386 1.341 18492
60 1 1 . 1 1 30 30 GLY C C 12 174.800 174.800 176.296 -1.496 18492
61 1 1 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.210 1.809 18492
62 1 1 . 1 1 30 30 GLY H H 12 8.838 8.838 7.945 0.893 18492
63 1 1 . 1 1 31 31 LEU N N 13 124.189 124.189 122.360 1.829 18492
64 1 1 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.472 -0.383 18492
65 1 1 . 1 1 31 31 LEU C C 13 179.023 179.023 179.246 -0.223 18492
66 1 1 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.729 0.750 18492
67 1 1 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.965 0.590 18492
68 1 1 . 1 1 31 31 LEU H H 13 8.520 8.520 8.085 0.435 18492
69 1 1 . 1 1 32 32 LEU N N 14 119.512 119.512 119.508 0.004 18492
70 1 1 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.824 0.134 18492
71 1 1 . 1 1 32 32 LEU C C 14 178.844 178.844 178.319 0.525 18492
72 1 1 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.528 0.407 18492
73 1 1 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.055 -0.390 18492
74 1 1 . 1 1 32 32 LEU H H 14 7.322 7.322 7.797 -0.475 18492
75 1 1 . 1 1 33 33 GLU N N 15 117.254 117.254 117.279 -0.025 18492
76 1 1 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.870 0.132 18492
77 1 1 . 1 1 33 33 GLU C C 15 178.636 178.636 178.715 -0.079 18492
78 1 1 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.641 0.036 18492
79 1 1 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.466 0.957 18492
80 1 1 . 1 1 33 33 GLU H H 15 7.940 7.940 8.018 -0.078 18492
81 1 1 . 1 1 34 34 HIS N N 16 113.397 113.397 115.349 -1.952 18492
82 1 1 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.513 0.253 18492
83 1 1 . 1 1 34 34 HIS C C 16 176.465 176.465 176.317 0.148 18492
84 1 1 . 1 1 34 34 HIS CA C 16 55.527 55.527 56.942 -1.415 18492
85 1 1 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.743 1.651 18492
86 1 1 . 1 1 34 34 HIS H H 16 8.732 8.732 7.959 0.773 18492
87 1 1 . 1 1 35 35 GLY N N 17 112.392 112.392 107.871 4.521 18492
88 1 1 . 1 1 35 35 GLY C C 17 172.914 172.914 173.892 -0.978 18492
89 1 1 . 1 1 35 35 GLY CA C 17 45.731 45.731 45.131 0.600 18492
90 1 1 . 1 1 35 35 GLY H H 17 7.475 7.475 7.485 -0.010 18492
91 1 1 . 1 1 36 36 ARG N N 18 121.605 121.605 122.614 -1.009 18492
92 1 1 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.777 -1.092 18492
93 1 1 . 1 1 36 36 ARG C C 18 174.673 174.673 174.835 -0.162 18492
94 1 1 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.657 0.019 18492
95 1 1 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.239 -1.469 18492
96 1 1 . 1 1 36 36 ARG H H 18 7.805 7.805 8.299 -0.494 18492
97 1 1 . 1 1 37 37 ASN N N 19 118.725 118.725 120.236 -1.511 18492
98 1 1 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.279 0.181 18492
99 1 1 . 1 1 37 37 ASN C C 19 175.272 175.272 175.397 -0.125 18492
100 1 1 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.527 -2.173 18492
101 1 1 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.942 -0.768 18492
102 1 1 . 1 1 37 37 ASN H H 19 6.939 6.939 7.424 -0.485 18492
103 1 1 . 1 1 38 38 TRP N N 20 123.054 123.054 127.324 -4.270 18492
104 1 1 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.481 -0.069 18492
105 1 1 . 1 1 38 38 TRP C C 20 177.950 177.950 177.839 0.111 18492
106 1 1 . 1 1 38 38 TRP CA C 20 58.802 58.802 58.995 -0.193 18492
107 1 1 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.894 1.706 18492
108 1 1 . 1 1 38 38 TRP H H 20 7.064 7.064 7.959 -0.895 18492
109 1 1 . 1 1 39 39 SER N N 21 112.959 112.959 115.589 -2.630 18492
110 1 1 . 1 1 39 39 SER HA H 21 4.171 4.171 4.226 -0.055 18492
111 1 1 . 1 1 39 39 SER C C 21 176.653 176.653 176.505 0.148 18492
112 1 1 . 1 1 39 39 SER CA C 21 61.632 61.632 61.680 -0.048 18492
113 1 1 . 1 1 39 39 SER CB C 21 62.389 62.389 62.441 -0.052 18492
114 1 1 . 1 1 39 39 SER H H 21 8.526 8.526 8.127 0.399 18492
115 1 1 . 1 1 40 40 ALA N N 22 124.572 124.572 124.468 0.104 18492
116 1 1 . 1 1 40 40 ALA HA H 22 3.809 3.809 3.993 -0.184 18492
117 1 1 . 1 1 40 40 ALA C C 22 180.307 180.307 179.730 0.577 18492
118 1 1 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.903 -0.567 18492
119 1 1 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.156 -1.336 18492
120 1 1 . 1 1 40 40 ALA H H 22 7.130 7.130 8.105 -0.975 18492
121 1 1 . 1 1 41 41 ILE N N 23 118.436 118.436 118.279 0.157 18492
122 1 1 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.742 -0.157 18492
123 1 1 . 1 1 41 41 ILE C C 23 177.684 177.684 177.772 -0.088 18492
124 1 1 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.421 3.450 18492
125 1 1 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.611 1.841 18492
126 1 1 . 1 1 41 41 ILE H H 23 7.750 7.750 7.820 -0.070 18492
127 1 1 . 1 1 42 42 ALA N N 24 122.987 122.987 121.615 1.372 18492
128 1 1 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.032 -0.112 18492
129 1 1 . 1 1 42 42 ALA C C 24 180.335 180.335 178.924 1.411 18492
130 1 1 . 1 1 42 42 ALA CA C 24 56.102 56.102 54.981 1.121 18492
131 1 1 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.389 -0.055 18492
132 1 1 . 1 1 42 42 ALA H H 24 8.730 8.730 8.269 0.461 18492
133 1 1 . 1 1 43 43 ARG N N 25 117.188 117.188 118.279 -1.091 18492
134 1 1 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.143 -0.121 18492
135 1 1 . 1 1 43 43 ARG C C 25 178.559 178.559 178.337 0.222 18492
136 1 1 . 1 1 43 43 ARG CA C 25 59.066 59.066 59.047 0.019 18492
137 1 1 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.403 -0.449 18492
138 1 1 . 1 1 43 43 ARG H H 25 7.511 7.511 7.732 -0.221 18492
139 1 1 . 1 1 44 44 MET N N 26 117.388 117.388 119.764 -2.376 18492
140 1 1 . 1 1 44 44 MET HA H 26 4.029 4.029 4.234 -0.205 18492
141 1 1 . 1 1 44 44 MET C C 26 177.655 177.655 177.579 0.076 18492
142 1 1 . 1 1 44 44 MET CA C 26 58.926 58.926 58.846 0.080 18492
143 1 1 . 1 1 44 44 MET CB C 26 34.267 34.267 33.090 1.177 18492
144 1 1 . 1 1 44 44 MET H H 26 7.399 7.399 7.701 -0.302 18492
145 1 1 . 1 1 45 45 VAL N N 27 119.232 119.232 114.761 4.471 18492
146 1 1 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.201 -0.620 18492
147 1 1 . 1 1 45 45 VAL C C 27 178.991 178.991 177.357 1.634 18492
148 1 1 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.236 1.523 18492
149 1 1 . 1 1 45 45 VAL CB C 27 32.405 32.405 31.851 0.554 18492
150 1 1 . 1 1 45 45 VAL H H 27 8.526 8.526 8.304 0.222 18492
151 1 1 . 1 1 46 46 GLY N N 28 108.996 108.996 106.870 2.126 18492
152 1 1 . 1 1 46 46 GLY C C 28 175.739 175.739 174.855 0.884 18492
153 1 1 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.130 2.120 18492
154 1 1 . 1 1 46 46 GLY H H 28 8.663 8.663 7.724 0.939 18492
155 1 1 . 1 1 47 47 SER N N 29 112.827 112.827 112.957 -0.130 18492
156 1 1 . 1 1 47 47 SER HA H 29 4.291 4.291 4.261 0.030 18492
157 1 1 . 1 1 47 47 SER C C 29 173.701 173.701 173.898 -0.197 18492
158 1 1 . 1 1 47 47 SER CA C 29 57.352 57.352 59.459 -2.107 18492
159 1 1 . 1 1 47 47 SER CB C 29 62.198 62.198 62.027 0.171 18492
160 1 1 . 1 1 47 47 SER H H 29 7.948 7.948 7.834 0.114 18492
161 1 1 . 1 1 48 48 LYS N N 30 119.562 119.562 119.938 -0.376 18492
162 1 1 . 1 1 48 48 LYS H H 30 6.655 6.655 7.895 -1.240 18492
163 1 1 . 1 1 49 49 THR N N 31 111.264 111.264 115.972 -4.708 18492
164 1 1 . 1 1 49 49 THR HA H 31 4.377 4.377 4.685 -0.308 18492
165 1 1 . 1 1 49 49 THR C C 31 176.481 176.481 175.818 0.663 18492
166 1 1 . 1 1 49 49 THR CA C 31 60.302 60.302 61.083 -0.781 18492
167 1 1 . 1 1 49 49 THR CB C 31 72.012 72.012 71.259 0.753 18492
168 1 1 . 1 1 49 49 THR H H 31 8.900 8.900 8.640 0.260 18492
169 1 1 . 1 1 50 50 VAL N N 32 121.079 121.079 127.034 -5.955 18492
170 1 1 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.747 -0.227 18492
171 1 1 . 1 1 50 50 VAL C C 32 177.818 177.818 177.509 0.309 18492
172 1 1 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.705 2.360 18492
173 1 1 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.919 -0.089 18492
174 1 1 . 1 1 50 50 VAL H H 32 8.697 8.697 8.757 -0.060 18492
175 1 1 . 1 1 51 51 SER N N 33 113.769 113.769 114.560 -0.791 18492
176 1 1 . 1 1 51 51 SER HA H 33 3.995 3.995 4.112 -0.117 18492
177 1 1 . 1 1 51 51 SER C C 33 177.346 177.346 176.426 0.920 18492
178 1 1 . 1 1 51 51 SER CA C 33 61.640 61.640 60.987 0.653 18492
179 1 1 . 1 1 51 51 SER CB C 33 62.431 62.431 62.508 -0.077 18492
180 1 1 . 1 1 51 51 SER H H 33 8.334 8.334 8.277 0.057 18492
181 1 1 . 1 1 52 52 GLN N N 34 120.084 120.084 120.979 -0.895 18492
182 1 1 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.141 0.162 18492
183 1 1 . 1 1 52 52 GLN C C 34 180.343 180.343 178.110 2.233 18492
184 1 1 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.818 0.464 18492
185 1 1 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.634 0.928 18492
186 1 1 . 1 1 52 52 GLN H H 34 7.781 7.781 7.875 -0.094 18492
187 1 1 . 1 1 53 53 CYS N N 35 120.950 120.950 117.776 3.174 18492
188 1 1 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.389 0.070 18492
189 1 1 . 1 1 53 53 CYS C C 35 175.170 175.170 176.654 -1.484 18492
190 1 1 . 1 1 53 53 CYS CA C 35 65.582 65.582 61.155 4.427 18492
191 1 1 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.853 0.261 18492
192 1 1 . 1 1 53 53 CYS H H 35 8.748 8.748 8.000 0.748 18492
193 1 1 . 1 1 54 54 LYS N N 36 120.488 120.488 121.020 -0.532 18492
194 1 1 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.483 -1.258 18492
195 1 1 . 1 1 54 54 LYS C C 36 177.848 177.848 178.448 -0.600 18492
196 1 1 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.897 0.564 18492
197 1 1 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.025 -0.091 18492
198 1 1 . 1 1 54 54 LYS H H 36 7.790 7.790 7.443 0.347 18492
199 1 1 . 1 1 55 55 ASN N N 37 116.085 116.085 116.879 -0.794 18492
200 1 1 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.591 -0.167 18492
201 1 1 . 1 1 55 55 ASN C C 37 177.149 177.149 177.684 -0.535 18492
202 1 1 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.270 0.816 18492
203 1 1 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.640 -0.171 18492
204 1 1 . 1 1 55 55 ASN H H 37 7.988 7.988 8.028 -0.040 18492
205 1 1 . 1 1 56 56 PHE N N 38 121.512 121.512 122.271 -0.759 18492
206 1 1 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.147 -0.567 18492
207 1 1 . 1 1 56 56 PHE C C 38 175.968 175.968 176.771 -0.803 18492
208 1 1 . 1 1 56 56 PHE CA C 38 60.657 60.657 61.667 -1.010 18492
209 1 1 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.876 -0.015 18492
210 1 1 . 1 1 56 56 PHE H H 38 8.117 8.117 8.432 -0.315 18492
211 1 1 . 1 1 57 57 TYR N N 39 114.465 114.465 117.976 -3.511 18492
212 1 1 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.802 -0.135 18492
213 1 1 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.560 1.288 18492
214 1 1 . 1 1 57 57 TYR CB C 39 38.720 38.720 37.760 0.960 18492
215 1 1 . 1 1 57 57 TYR H H 39 7.723 7.723 7.776 -0.053 18492
216 1 1 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.202 -0.115 18492
217 1 1 . 1 1 66 66 LEU C C 48 179.076 179.076 178.194 0.882 18492
218 1 1 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.696 -0.432 18492
219 1 1 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.450 -0.298 18492
220 1 1 . 1 1 67 67 ASP N N 49 118.908 118.908 119.436 -0.528 18492
221 1 1 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.335 0.362 18492
222 1 1 . 1 1 67 67 ASP C C 49 179.483 179.483 178.113 1.370 18492
223 1 1 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.834 -0.348 18492
224 1 1 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.963 -1.885 18492
225 1 1 . 1 1 67 67 ASP H H 49 8.630 8.630 8.547 0.083 18492
226 1 1 . 1 1 68 68 GLU N N 50 122.261 122.261 119.887 2.374 18492
227 1 1 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.166 -0.044 18492
228 1 1 . 1 1 68 68 GLU C C 50 179.120 179.120 178.930 0.190 18492
229 1 1 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.671 0.710 18492
230 1 1 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.335 -0.152 18492
231 1 1 . 1 1 68 68 GLU H H 50 7.906 7.906 7.597 0.309 18492
232 1 1 . 1 1 69 69 ILE N N 51 120.582 120.582 120.913 -0.331 18492
233 1 1 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.737 0.057 18492
234 1 1 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.356 -0.627 18492
235 1 1 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.839 -0.376 18492
236 1 1 . 1 1 69 69 ILE H H 51 7.296 7.296 7.970 -0.674 18492
237 1 1 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.238 -0.150 18492
238 1 1 . 1 1 70 70 LEU C C 52 180.091 180.091 179.516 0.575 18492
239 1 1 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.232 0.619 18492
240 1 1 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.685 0.480 18492
241 1 1 . 1 1 71 71 GLN N N 53 121.069 121.069 119.387 1.682 18492
242 1 1 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.051 0.129 18492
243 1 1 . 1 1 71 71 GLN C C 53 178.551 178.551 178.416 0.135 18492
244 1 1 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.720 0.081 18492
245 1 1 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.268 -0.517 18492
246 1 1 . 1 1 71 71 GLN H H 53 8.075 8.075 8.013 0.062 18492
247 1 1 . 1 1 72 72 GLN N N 54 119.983 119.983 118.366 1.617 18492
248 1 1 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.026 -0.006 18492
249 1 1 . 1 1 72 72 GLN C C 54 179.376 179.376 178.506 0.870 18492
250 1 1 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.505 0.327 18492
251 1 1 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.295 -0.217 18492
252 1 1 . 1 1 72 72 GLN H H 54 7.900 7.900 8.334 -0.434 18492
253 1 1 . 1 1 73 73 HIS N N 55 120.410 120.410 120.144 0.266 18492
254 1 1 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.140 0.174 18492
255 1 1 . 1 1 73 73 HIS C C 55 176.222 176.222 177.186 -0.964 18492
256 1 1 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.491 0.511 18492
257 1 1 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.643 -1.480 18492
258 1 1 . 1 1 73 73 HIS H H 55 8.637 8.637 8.152 0.485 18492
259 1 1 . 1 1 74 74 LYS N N 56 120.014 120.014 119.406 0.608 18492
260 1 1 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.794 -0.029 18492
261 1 1 . 1 1 74 74 LYS C C 56 179.024 179.024 178.721 0.303 18492
262 1 1 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.562 0.084 18492
263 1 1 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.543 -0.348 18492
264 1 1 . 1 1 74 74 LYS H H 56 7.944 7.944 7.677 0.267 18492
265 1 1 . 1 1 75 75 LEU N N 57 119.352 119.352 116.792 2.560 18492
266 1 1 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.137 -0.083 18492
267 1 1 . 1 1 75 75 LEU C C 57 179.386 179.386 178.970 0.416 18492
268 1 1 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.968 -0.321 18492
269 1 1 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.288 0.491 18492
270 1 1 . 1 1 75 75 LEU H H 57 7.870 7.870 7.900 -0.030 18492
271 1 1 . 1 1 76 76 LYS N N 58 121.054 121.054 119.748 1.306 18492
272 1 1 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.923 0.045 18492
273 1 1 . 1 1 76 76 LYS C C 58 178.872 178.872 178.918 -0.046 18492
274 1 1 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.268 0.038 18492
275 1 1 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.117 0.136 18492
276 1 1 . 1 1 76 76 LYS H H 58 7.943 7.943 8.148 -0.205 18492
277 1 1 . 1 1 77 77 MET N N 59 117.676 117.676 118.593 -0.917 18492
278 1 1 . 1 1 77 77 MET HA H 59 4.164 4.164 4.210 -0.046 18492
279 1 1 . 1 1 77 77 MET C C 59 179.131 179.131 177.796 1.335 18492
280 1 1 . 1 1 77 77 MET CA C 59 57.271 57.271 57.134 0.137 18492
281 1 1 . 1 1 77 77 MET CB C 59 31.676 31.676 32.248 -0.572 18492
282 1 1 . 1 1 77 77 MET H H 59 7.910 7.910 7.546 0.364 18492
283 1 1 . 1 1 78 78 GLU N N 60 120.695 120.695 119.282 1.413 18492
284 1 1 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.886 0.114 18492
285 1 1 . 1 1 78 78 GLU C C 60 178.407 178.407 178.792 -0.385 18492
286 1 1 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.819 -0.541 18492
287 1 1 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.646 -0.177 18492
288 1 1 . 1 1 78 78 GLU H H 60 8.005 8.005 7.964 0.041 18492
289 1 1 . 1 1 79 79 LYS N N 61 119.944 119.944 117.797 2.147 18492
290 1 1 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.997 0.077 18492
291 1 1 . 1 1 79 79 LYS C C 61 179.350 179.350 179.013 0.337 18492
292 1 1 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.299 -0.247 18492
293 1 1 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.156 0.085 18492
294 1 1 . 1 1 79 79 LYS H H 61 7.993 7.993 7.941 0.052 18492
295 1 1 . 1 1 80 80 GLU N N 62 119.421 119.421 118.833 0.588 18492
296 1 1 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.124 -0.072 18492
297 1 1 . 1 1 80 80 GLU C C 62 178.434 178.434 178.834 -0.400 18492
298 1 1 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.475 0.103 18492
299 1 1 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.064 0.446 18492
300 1 1 . 1 1 80 80 GLU H H 62 8.011 8.011 7.701 0.310 18492
301 1 1 . 1 1 81 81 ARG N N 63 120.087 120.087 119.894 0.193 18492
302 1 1 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.025 0.038 18492
303 1 1 . 1 1 81 81 ARG C C 63 178.289 178.289 177.835 0.454 18492
304 1 1 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.387 -0.658 18492
305 1 1 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.185 -0.201 18492
306 1 1 . 1 1 81 81 ARG H H 63 8.038 8.038 7.948 0.090 18492
307 1 1 . 1 1 82 82 ASN N N 64 117.835 117.835 116.531 1.304 18492
308 1 1 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.589 -0.063 18492
309 1 1 . 1 1 82 82 ASN C C 64 176.397 176.397 177.774 -1.377 18492
310 1 1 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.638 -0.963 18492
311 1 1 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.862 -0.367 18492
312 1 1 . 1 1 82 82 ASN H H 64 8.176 8.176 7.772 0.404 18492
313 1 1 . 1 1 83 83 ALA N N 65 122.797 122.797 122.326 0.471 18492
314 1 1 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.205 -0.001 18492
315 1 1 . 1 1 83 83 ALA C C 65 178.776 178.776 178.780 -0.004 18492
316 1 1 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.423 -0.665 18492
317 1 1 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.575 0.194 18492
318 1 1 . 1 1 83 83 ALA H H 65 7.883 7.883 7.885 -0.002 18492
319 1 1 . 1 1 84 84 ARG N N 66 118.042 118.042 115.464 2.578 18492
320 1 1 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.283 -0.070 18492
321 1 1 . 1 1 84 84 ARG C C 66 177.040 177.040 177.075 -0.035 18492
322 1 1 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.282 -0.212 18492
323 1 1 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.483 -0.098 18492
324 1 1 . 1 1 84 84 ARG H H 66 7.855 7.855 7.667 0.188 18492
325 1 1 . 1 1 85 85 ARG N N 67 120.431 120.431 121.226 -0.795 18492
326 1 1 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.465 -0.251 18492
327 1 1 . 1 1 85 85 ARG C C 67 176.547 176.547 176.344 0.203 18492
328 1 1 . 1 1 85 85 ARG CA C 67 56.886 56.886 54.563 2.323 18492
329 1 1 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.024 1.301 18492
330 1 1 . 1 1 85 85 ARG H H 67 7.873 7.873 7.526 0.347 18492
331 1 1 . 1 1 86 86 LYS N N 68 121.690 121.690 118.487 3.203 18492
332 1 1 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.227 0.038 18492
333 1 1 . 1 1 86 86 LYS C C 68 176.561 176.561 176.369 0.192 18492
334 1 1 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.109 0.817 18492
335 1 1 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.448 1.438 18492
336 1 1 . 1 1 86 86 LYS H H 68 8.040 8.040 7.990 0.050 18492
337 1 1 . 1 1 87 87 LYS N N 69 122.486 122.486 121.513 0.973 18492
338 1 1 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.248 0.021 18492
339 1 1 . 1 1 87 87 LYS C C 69 176.383 176.383 175.911 0.472 18492
340 1 1 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.083 0.417 18492
341 1 1 . 1 1 87 87 LYS CB C 69 33.100 33.100 29.970 3.130 18492
342 1 1 . 1 1 87 87 LYS H H 69 8.116 8.116 8.076 0.040 18492
343 1 1 . 1 1 88 88 LYS N N 70 123.589 123.589 121.707 1.882 18492
344 1 1 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.413 -0.166 18492
345 1 1 . 1 1 88 88 LYS C C 70 175.618 175.618 174.646 0.972 18492
346 1 1 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.055 0.638 18492
347 1 1 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.817 -0.728 18492
348 1 1 . 1 1 88 88 LYS H H 70 8.247 8.247 7.898 0.349 18492
349 1 2 . 1 1 20 20 THR N N 2 114.872 114.872 118.530 -3.658 18492
350 1 2 . 1 1 20 20 THR HA H 2 4.639 4.639 4.386 0.253 18492
351 1 2 . 1 1 20 20 THR C C 2 175.858 175.858 175.802 0.056 18492
352 1 2 . 1 1 20 20 THR CA C 2 59.992 59.992 61.408 -1.416 18492
353 1 2 . 1 1 20 20 THR CB C 2 71.359 71.359 70.516 0.843 18492
354 1 2 . 1 1 20 20 THR H H 2 9.423 9.423 8.184 1.239 18492
355 1 2 . 1 1 21 21 GLU N N 3 121.694 121.694 123.509 -1.815 18492
356 1 2 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.970 0.049 18492
357 1 2 . 1 1 21 21 GLU C C 3 179.808 179.808 178.136 1.672 18492
358 1 2 . 1 1 21 21 GLU CA C 3 60.242 60.242 60.203 0.039 18492
359 1 2 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.021 0.312 18492
360 1 2 . 1 1 21 21 GLU H H 3 9.120 9.120 8.960 0.160 18492
361 1 2 . 1 1 22 22 GLU N N 4 120.617 120.617 118.328 2.289 18492
362 1 2 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.074 0.028 18492
363 1 2 . 1 1 22 22 GLU C C 4 179.604 179.604 178.715 0.889 18492
364 1 2 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.262 0.641 18492
365 1 2 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.869 0.300 18492
366 1 2 . 1 1 22 22 GLU H H 4 8.735 8.735 8.873 -0.138 18492
367 1 2 . 1 1 23 23 GLU N N 5 120.811 120.811 119.467 1.344 18492
368 1 2 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.127 -0.053 18492
369 1 2 . 1 1 23 23 GLU C C 5 179.511 179.511 179.054 0.457 18492
370 1 2 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.489 0.978 18492
371 1 2 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.954 2.459 18492
372 1 2 . 1 1 23 23 GLU H H 5 7.887 7.887 7.838 0.049 18492
373 1 2 . 1 1 24 24 MET N N 6 117.260 117.260 120.227 -2.967 18492
374 1 2 . 1 1 24 24 MET HA H 6 3.665 3.665 4.234 -0.569 18492
375 1 2 . 1 1 24 24 MET C C 6 178.480 178.480 178.319 0.161 18492
376 1 2 . 1 1 24 24 MET CA C 6 60.134 60.134 58.646 1.488 18492
377 1 2 . 1 1 24 24 MET CB C 6 33.059 33.059 32.819 0.240 18492
378 1 2 . 1 1 24 24 MET H H 6 8.607 8.607 8.546 0.061 18492
379 1 2 . 1 1 25 25 GLY N N 7 106.564 106.564 106.121 0.443 18492
380 1 2 . 1 1 25 25 GLY C C 7 177.376 177.376 176.014 1.362 18492
381 1 2 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.327 0.005 18492
382 1 2 . 1 1 25 25 GLY H H 7 8.494 8.494 8.113 0.381 18492
383 1 2 . 1 1 26 26 THR N N 8 121.127 121.127 118.250 2.877 18492
384 1 2 . 1 1 26 26 THR HA H 8 3.956 3.956 4.111 -0.155 18492
385 1 2 . 1 1 26 26 THR C C 8 175.895 175.895 175.956 -0.061 18492
386 1 2 . 1 1 26 26 THR CA C 8 66.737 66.737 65.830 0.907 18492
387 1 2 . 1 1 26 26 THR CB C 8 67.623 67.623 68.476 -0.853 18492
388 1 2 . 1 1 26 26 THR H H 8 8.242 8.242 7.906 0.336 18492
389 1 2 . 1 1 27 27 ALA N N 9 125.226 125.226 125.505 -0.279 18492
390 1 2 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.030 -0.151 18492
391 1 2 . 1 1 27 27 ALA C C 9 179.361 179.361 179.077 0.284 18492
392 1 2 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.402 0.342 18492
393 1 2 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.924 -0.235 18492
394 1 2 . 1 1 27 27 ALA H H 9 8.605 8.605 7.978 0.627 18492
395 1 2 . 1 1 28 28 LYS N N 10 116.449 116.449 118.576 -2.127 18492
396 1 2 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.022 -0.128 18492
397 1 2 . 1 1 28 28 LYS C C 10 179.264 179.264 178.690 0.574 18492
398 1 2 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.352 1.903 18492
399 1 2 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.212 -0.019 18492
400 1 2 . 1 1 28 28 LYS H H 10 8.149 8.149 8.194 -0.045 18492
401 1 2 . 1 1 29 29 LYS N N 11 121.248 121.248 118.845 2.403 18492
402 1 2 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.090 -0.063 18492
403 1 2 . 1 1 29 29 LYS C C 11 179.168 179.168 179.086 0.082 18492
404 1 2 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.683 0.928 18492
405 1 2 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.994 0.116 18492
406 1 2 . 1 1 29 29 LYS H H 11 7.747 7.747 7.819 -0.072 18492
407 1 2 . 1 1 30 30 GLY N N 12 108.727 108.727 106.692 2.035 18492
408 1 2 . 1 1 30 30 GLY C C 12 174.800 174.800 176.430 -1.630 18492
409 1 2 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.041 1.978 18492
410 1 2 . 1 1 30 30 GLY H H 12 8.838 8.838 7.910 0.928 18492
411 1 2 . 1 1 31 31 LEU N N 13 124.189 124.189 122.745 1.444 18492
412 1 2 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.504 -0.415 18492
413 1 2 . 1 1 31 31 LEU C C 13 179.023 179.023 178.935 0.088 18492
414 1 2 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.837 0.642 18492
415 1 2 . 1 1 31 31 LEU CB C 13 42.555 42.555 42.051 0.504 18492
416 1 2 . 1 1 31 31 LEU H H 13 8.520 8.520 8.114 0.406 18492
417 1 2 . 1 1 32 32 LEU N N 14 119.512 119.512 118.554 0.958 18492
418 1 2 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.032 -0.074 18492
419 1 2 . 1 1 32 32 LEU C C 14 178.844 178.844 177.505 1.339 18492
420 1 2 . 1 1 32 32 LEU CA C 14 57.935 57.935 56.931 1.004 18492
421 1 2 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.221 -0.556 18492
422 1 2 . 1 1 32 32 LEU H H 14 7.322 7.322 7.949 -0.627 18492
423 1 2 . 1 1 33 33 GLU N N 15 117.254 117.254 117.438 -0.184 18492
424 1 2 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.140 -0.138 18492
425 1 2 . 1 1 33 33 GLU C C 15 178.636 178.636 177.822 0.814 18492
426 1 2 . 1 1 33 33 GLU CA C 15 58.677 58.677 57.606 1.071 18492
427 1 2 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.198 0.225 18492
428 1 2 . 1 1 33 33 GLU H H 15 7.940 7.940 7.516 0.424 18492
429 1 2 . 1 1 34 34 HIS N N 16 113.397 113.397 116.502 -3.105 18492
430 1 2 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.519 0.247 18492
431 1 2 . 1 1 34 34 HIS C C 16 176.465 176.465 176.318 0.147 18492
432 1 2 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.703 -2.176 18492
433 1 2 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.364 1.030 18492
434 1 2 . 1 1 34 34 HIS H H 16 8.732 8.732 7.984 0.748 18492
435 1 2 . 1 1 35 35 GLY N N 17 112.392 112.392 106.474 5.918 18492
436 1 2 . 1 1 35 35 GLY C C 17 172.914 172.914 173.476 -0.562 18492
437 1 2 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.429 1.302 18492
438 1 2 . 1 1 35 35 GLY H H 17 7.475 7.475 7.883 -0.408 18492
439 1 2 . 1 1 36 36 ARG N N 18 121.605 121.605 121.665 -0.060 18492
440 1 2 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.811 -1.126 18492
441 1 2 . 1 1 36 36 ARG C C 18 174.673 174.673 174.694 -0.021 18492
442 1 2 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.567 -0.891 18492
443 1 2 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.866 -2.096 18492
444 1 2 . 1 1 36 36 ARG H H 18 7.805 7.805 8.452 -0.647 18492
445 1 2 . 1 1 37 37 ASN N N 19 118.725 118.725 119.294 -0.569 18492
446 1 2 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.411 0.049 18492
447 1 2 . 1 1 37 37 ASN C C 19 175.272 175.272 175.983 -0.711 18492
448 1 2 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.731 -2.377 18492
449 1 2 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.667 0.507 18492
450 1 2 . 1 1 37 37 ASN H H 19 6.939 6.939 7.805 -0.866 18492
451 1 2 . 1 1 38 38 TRP N N 20 123.054 123.054 125.418 -2.364 18492
452 1 2 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.509 -0.097 18492
453 1 2 . 1 1 38 38 TRP C C 20 177.950 177.950 178.542 -0.592 18492
454 1 2 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.243 -0.441 18492
455 1 2 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.090 1.510 18492
456 1 2 . 1 1 38 38 TRP H H 20 7.064 7.064 8.095 -1.031 18492
457 1 2 . 1 1 39 39 SER N N 21 112.959 112.959 115.251 -2.292 18492
458 1 2 . 1 1 39 39 SER HA H 21 4.171 4.171 4.215 -0.044 18492
459 1 2 . 1 1 39 39 SER C C 21 176.653 176.653 176.367 0.286 18492
460 1 2 . 1 1 39 39 SER CA C 21 61.632 61.632 61.289 0.343 18492
461 1 2 . 1 1 39 39 SER CB C 21 62.389 62.389 62.622 -0.233 18492
462 1 2 . 1 1 39 39 SER H H 21 8.526 8.526 8.406 0.120 18492
463 1 2 . 1 1 40 40 ALA N N 22 124.572 124.572 124.544 0.028 18492
464 1 2 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.031 -0.222 18492
465 1 2 . 1 1 40 40 ALA C C 22 180.307 180.307 179.812 0.495 18492
466 1 2 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.877 -0.541 18492
467 1 2 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.089 -1.269 18492
468 1 2 . 1 1 40 40 ALA H H 22 7.130 7.130 7.615 -0.485 18492
469 1 2 . 1 1 41 41 ILE N N 23 118.436 118.436 117.865 0.571 18492
470 1 2 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.833 -0.248 18492
471 1 2 . 1 1 41 41 ILE C C 23 177.684 177.684 177.802 -0.118 18492
472 1 2 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.038 3.833 18492
473 1 2 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.483 1.970 18492
474 1 2 . 1 1 41 41 ILE H H 23 7.750 7.750 7.701 0.049 18492
475 1 2 . 1 1 42 42 ALA N N 24 122.987 122.987 122.896 0.091 18492
476 1 2 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.057 -0.137 18492
477 1 2 . 1 1 42 42 ALA C C 24 180.335 180.335 179.510 0.825 18492
478 1 2 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.537 0.565 18492
479 1 2 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.430 -0.096 18492
480 1 2 . 1 1 42 42 ALA H H 24 8.730 8.730 8.233 0.497 18492
481 1 2 . 1 1 43 43 ARG N N 25 117.188 117.188 118.271 -1.083 18492
482 1 2 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.132 -0.110 18492
483 1 2 . 1 1 43 43 ARG C C 25 178.559 178.559 178.689 -0.130 18492
484 1 2 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.682 0.384 18492
485 1 2 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.289 -0.335 18492
486 1 2 . 1 1 43 43 ARG H H 25 7.511 7.511 7.807 -0.296 18492
487 1 2 . 1 1 44 44 MET N N 26 117.388 117.388 119.770 -2.382 18492
488 1 2 . 1 1 44 44 MET HA H 26 4.029 4.029 4.170 -0.141 18492
489 1 2 . 1 1 44 44 MET C C 26 177.655 177.655 177.673 -0.018 18492
490 1 2 . 1 1 44 44 MET CA C 26 58.926 58.926 58.833 0.093 18492
491 1 2 . 1 1 44 44 MET CB C 26 34.267 34.267 32.906 1.361 18492
492 1 2 . 1 1 44 44 MET H H 26 7.399 7.399 7.716 -0.317 18492
493 1 2 . 1 1 45 45 VAL N N 27 119.232 119.232 114.292 4.940 18492
494 1 2 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.228 -0.647 18492
495 1 2 . 1 1 45 45 VAL C C 27 178.991 178.991 177.319 1.672 18492
496 1 2 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.543 1.216 18492
497 1 2 . 1 1 45 45 VAL CB C 27 32.405 32.405 31.607 0.798 18492
498 1 2 . 1 1 45 45 VAL H H 27 8.526 8.526 8.181 0.345 18492
499 1 2 . 1 1 46 46 GLY N N 28 108.996 108.996 107.608 1.388 18492
500 1 2 . 1 1 46 46 GLY C C 28 175.739 175.739 175.127 0.612 18492
501 1 2 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.256 1.994 18492
502 1 2 . 1 1 46 46 GLY H H 28 8.663 8.663 7.847 0.816 18492
503 1 2 . 1 1 47 47 SER N N 29 112.827 112.827 113.387 -0.560 18492
504 1 2 . 1 1 47 47 SER HA H 29 4.291 4.291 4.068 0.223 18492
505 1 2 . 1 1 47 47 SER C C 29 173.701 173.701 173.726 -0.025 18492
506 1 2 . 1 1 47 47 SER CA C 29 57.352 57.352 59.367 -2.015 18492
507 1 2 . 1 1 47 47 SER CB C 29 62.198 62.198 61.911 0.287 18492
508 1 2 . 1 1 47 47 SER H H 29 7.948 7.948 7.832 0.116 18492
509 1 2 . 1 1 48 48 LYS N N 30 119.562 119.562 119.817 -0.255 18492
510 1 2 . 1 1 48 48 LYS H H 30 6.655 6.655 7.654 -0.999 18492
511 1 2 . 1 1 49 49 THR N N 31 111.264 111.264 114.826 -3.562 18492
512 1 2 . 1 1 49 49 THR HA H 31 4.377 4.377 4.220 0.157 18492
513 1 2 . 1 1 49 49 THR C C 31 176.481 176.481 176.397 0.084 18492
514 1 2 . 1 1 49 49 THR CA C 31 60.302 60.302 63.434 -3.132 18492
515 1 2 . 1 1 49 49 THR CB C 31 72.012 72.012 69.110 2.902 18492
516 1 2 . 1 1 49 49 THR H H 31 8.900 8.900 8.329 0.571 18492
517 1 2 . 1 1 50 50 VAL N N 32 121.079 121.079 125.940 -4.861 18492
518 1 2 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.726 -0.206 18492
519 1 2 . 1 1 50 50 VAL C C 32 177.818 177.818 177.801 0.017 18492
520 1 2 . 1 1 50 50 VAL CA C 32 68.065 68.065 66.206 1.859 18492
521 1 2 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.654 0.176 18492
522 1 2 . 1 1 50 50 VAL H H 32 8.697 8.697 8.693 0.004 18492
523 1 2 . 1 1 51 51 SER N N 33 113.769 113.769 115.148 -1.379 18492
524 1 2 . 1 1 51 51 SER HA H 33 3.995 3.995 4.054 -0.059 18492
525 1 2 . 1 1 51 51 SER C C 33 177.346 177.346 176.683 0.663 18492
526 1 2 . 1 1 51 51 SER CA C 33 61.640 61.640 61.460 0.180 18492
527 1 2 . 1 1 51 51 SER CB C 33 62.431 62.431 62.605 -0.174 18492
528 1 2 . 1 1 51 51 SER H H 33 8.334 8.334 8.291 0.043 18492
529 1 2 . 1 1 52 52 GLN N N 34 120.084 120.084 120.222 -0.138 18492
530 1 2 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.175 0.128 18492
531 1 2 . 1 1 52 52 GLN C C 34 180.343 180.343 178.234 2.109 18492
532 1 2 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.963 0.319 18492
533 1 2 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.923 0.639 18492
534 1 2 . 1 1 52 52 GLN H H 34 7.781 7.781 7.962 -0.181 18492
535 1 2 . 1 1 53 53 CYS N N 35 120.950 120.950 117.942 3.008 18492
536 1 2 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.420 0.039 18492
537 1 2 . 1 1 53 53 CYS C C 35 175.170 175.170 176.592 -1.422 18492
538 1 2 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.369 5.213 18492
539 1 2 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.236 -0.122 18492
540 1 2 . 1 1 53 53 CYS H H 35 8.748 8.748 7.849 0.899 18492
541 1 2 . 1 1 54 54 LYS N N 36 120.488 120.488 121.371 -0.883 18492
542 1 2 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.240 -1.015 18492
543 1 2 . 1 1 54 54 LYS C C 36 177.848 177.848 178.786 -0.938 18492
544 1 2 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.522 -0.061 18492
545 1 2 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.147 -0.213 18492
546 1 2 . 1 1 54 54 LYS H H 36 7.790 7.790 8.061 -0.271 18492
547 1 2 . 1 1 55 55 ASN N N 37 116.085 116.085 117.976 -1.891 18492
548 1 2 . 1 1 55 55 ASN HA H 37 4.424 4.424 3.286 1.138 18492
549 1 2 . 1 1 55 55 ASN C C 37 177.149 177.149 177.079 0.070 18492
550 1 2 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.391 0.695 18492
551 1 2 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.279 0.190 18492
552 1 2 . 1 1 55 55 ASN H H 37 7.988 7.988 8.037 -0.049 18492
553 1 2 . 1 1 56 56 PHE N N 38 121.512 121.512 120.975 0.537 18492
554 1 2 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.878 -0.298 18492
555 1 2 . 1 1 56 56 PHE C C 38 175.968 175.968 176.683 -0.715 18492
556 1 2 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.061 0.596 18492
557 1 2 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.098 0.763 18492
558 1 2 . 1 1 56 56 PHE H H 38 8.117 8.117 7.797 0.320 18492
559 1 2 . 1 1 57 57 TYR N N 39 114.465 114.465 119.448 -4.983 18492
560 1 2 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.662 0.005 18492
561 1 2 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.692 0.156 18492
562 1 2 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.765 -0.045 18492
563 1 2 . 1 1 57 57 TYR H H 39 7.723 7.723 7.336 0.387 18492
564 1 2 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.169 -0.082 18492
565 1 2 . 1 1 66 66 LEU C C 48 179.076 179.076 177.936 1.140 18492
566 1 2 . 1 1 66 66 LEU CA C 48 57.264 57.264 56.859 0.405 18492
567 1 2 . 1 1 66 66 LEU CB C 48 41.152 41.152 40.882 0.271 18492
568 1 2 . 1 1 67 67 ASP N N 49 118.908 118.908 120.017 -1.109 18492
569 1 2 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.447 0.250 18492
570 1 2 . 1 1 67 67 ASP C C 49 179.483 179.483 177.845 1.638 18492
571 1 2 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.601 -0.115 18492
572 1 2 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.123 -2.045 18492
573 1 2 . 1 1 67 67 ASP H H 49 8.630 8.630 7.783 0.847 18492
574 1 2 . 1 1 68 68 GLU N N 50 122.261 122.261 119.260 3.001 18492
575 1 2 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.074 0.048 18492
576 1 2 . 1 1 68 68 GLU C C 50 179.120 179.120 178.796 0.324 18492
577 1 2 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.213 0.168 18492
578 1 2 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.546 -0.363 18492
579 1 2 . 1 1 68 68 GLU H H 50 7.906 7.906 7.640 0.266 18492
580 1 2 . 1 1 69 69 ILE N N 51 120.582 120.582 119.825 0.757 18492
581 1 2 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.856 -0.062 18492
582 1 2 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.876 -0.147 18492
583 1 2 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.698 -0.235 18492
584 1 2 . 1 1 69 69 ILE H H 51 7.296 7.296 7.608 -0.312 18492
585 1 2 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.336 -0.248 18492
586 1 2 . 1 1 70 70 LEU C C 52 180.091 180.091 179.603 0.488 18492
587 1 2 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.535 1.315 18492
588 1 2 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.486 0.679 18492
589 1 2 . 1 1 71 71 GLN N N 53 121.069 121.069 119.879 1.190 18492
590 1 2 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.087 0.093 18492
591 1 2 . 1 1 71 71 GLN C C 53 178.551 178.551 178.421 0.130 18492
592 1 2 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.841 -0.040 18492
593 1 2 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.317 -0.566 18492
594 1 2 . 1 1 71 71 GLN H H 53 8.075 8.075 8.311 -0.236 18492
595 1 2 . 1 1 72 72 GLN N N 54 119.983 119.983 118.024 1.959 18492
596 1 2 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.078 -0.058 18492
597 1 2 . 1 1 72 72 GLN C C 54 179.376 179.376 178.653 0.723 18492
598 1 2 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.368 0.464 18492
599 1 2 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.323 -0.245 18492
600 1 2 . 1 1 72 72 GLN H H 54 7.900 7.900 8.307 -0.407 18492
601 1 2 . 1 1 73 73 HIS N N 55 120.410 120.410 119.223 1.187 18492
602 1 2 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.258 0.056 18492
603 1 2 . 1 1 73 73 HIS C C 55 176.222 176.222 176.843 -0.621 18492
604 1 2 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.195 0.807 18492
605 1 2 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.850 -1.687 18492
606 1 2 . 1 1 73 73 HIS H H 55 8.637 8.637 7.812 0.825 18492
607 1 2 . 1 1 74 74 LYS N N 56 120.014 120.014 118.825 1.189 18492
608 1 2 . 1 1 74 74 LYS HA H 56 3.765 3.765 4.023 -0.258 18492
609 1 2 . 1 1 74 74 LYS C C 56 179.024 179.024 178.571 0.453 18492
610 1 2 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.106 0.540 18492
611 1 2 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.859 -0.664 18492
612 1 2 . 1 1 74 74 LYS H H 56 7.944 7.944 7.679 0.265 18492
613 1 2 . 1 1 75 75 LEU N N 57 119.352 119.352 117.169 2.183 18492
614 1 2 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.479 -0.425 18492
615 1 2 . 1 1 75 75 LEU C C 57 179.386 179.386 179.196 0.190 18492
616 1 2 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.673 -0.027 18492
617 1 2 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.431 0.348 18492
618 1 2 . 1 1 75 75 LEU H H 57 7.870 7.870 8.064 -0.194 18492
619 1 2 . 1 1 76 76 LYS N N 58 121.054 121.054 119.340 1.714 18492
620 1 2 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.958 0.010 18492
621 1 2 . 1 1 76 76 LYS C C 58 178.872 178.872 178.881 -0.009 18492
622 1 2 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.142 0.164 18492
623 1 2 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.010 0.243 18492
624 1 2 . 1 1 76 76 LYS H H 58 7.943 7.943 7.868 0.075 18492
625 1 2 . 1 1 77 77 MET N N 59 117.676 117.676 119.393 -1.717 18492
626 1 2 . 1 1 77 77 MET HA H 59 4.164 4.164 4.176 -0.012 18492
627 1 2 . 1 1 77 77 MET C C 59 179.131 179.131 178.020 1.111 18492
628 1 2 . 1 1 77 77 MET CA C 59 57.271 57.271 57.290 -0.019 18492
629 1 2 . 1 1 77 77 MET CB C 59 31.676 31.676 32.086 -0.410 18492
630 1 2 . 1 1 77 77 MET H H 59 7.910 7.910 7.559 0.351 18492
631 1 2 . 1 1 78 78 GLU N N 60 120.695 120.695 118.528 2.167 18492
632 1 2 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.966 0.034 18492
633 1 2 . 1 1 78 78 GLU C C 60 178.407 178.407 178.853 -0.446 18492
634 1 2 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.420 -0.142 18492
635 1 2 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.507 -0.038 18492
636 1 2 . 1 1 78 78 GLU H H 60 8.005 8.005 8.016 -0.011 18492
637 1 2 . 1 1 79 79 LYS N N 61 119.944 119.944 118.879 1.065 18492
638 1 2 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.016 0.058 18492
639 1 2 . 1 1 79 79 LYS C C 61 179.350 179.350 179.069 0.281 18492
640 1 2 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.279 -0.227 18492
641 1 2 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.219 0.022 18492
642 1 2 . 1 1 79 79 LYS H H 61 7.993 7.993 7.717 0.276 18492
643 1 2 . 1 1 80 80 GLU N N 62 119.421 119.421 119.029 0.392 18492
644 1 2 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.068 -0.016 18492
645 1 2 . 1 1 80 80 GLU C C 62 178.434 178.434 178.527 -0.093 18492
646 1 2 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.620 -0.042 18492
647 1 2 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.048 0.463 18492
648 1 2 . 1 1 80 80 GLU H H 62 8.011 8.011 7.746 0.265 18492
649 1 2 . 1 1 81 81 ARG N N 63 120.087 120.087 120.676 -0.589 18492
650 1 2 . 1 1 81 81 ARG HA H 63 4.063 4.063 3.911 0.152 18492
651 1 2 . 1 1 81 81 ARG C C 63 178.289 178.289 178.279 0.010 18492
652 1 2 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.703 -0.974 18492
653 1 2 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.163 -0.179 18492
654 1 2 . 1 1 81 81 ARG H H 63 8.038 8.038 7.590 0.448 18492
655 1 2 . 1 1 82 82 ASN N N 64 117.835 117.835 117.403 0.432 18492
656 1 2 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.443 0.083 18492
657 1 2 . 1 1 82 82 ASN C C 64 176.397 176.397 177.361 -0.964 18492
658 1 2 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.025 -1.350 18492
659 1 2 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.101 0.394 18492
660 1 2 . 1 1 82 82 ASN H H 64 8.176 8.176 7.888 0.288 18492
661 1 2 . 1 1 83 83 ALA N N 65 122.797 122.797 121.649 1.148 18492
662 1 2 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.120 0.084 18492
663 1 2 . 1 1 83 83 ALA C C 65 178.776 178.776 178.505 0.271 18492
664 1 2 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.650 -0.892 18492
665 1 2 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.695 0.074 18492
666 1 2 . 1 1 83 83 ALA H H 65 7.883 7.883 7.446 0.437 18492
667 1 2 . 1 1 84 84 ARG N N 66 118.042 118.042 114.607 3.435 18492
668 1 2 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.233 -0.020 18492
669 1 2 . 1 1 84 84 ARG C C 66 177.040 177.040 177.876 -0.836 18492
670 1 2 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.237 -0.167 18492
671 1 2 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.568 -0.183 18492
672 1 2 . 1 1 84 84 ARG H H 66 7.855 7.855 7.862 -0.006 18492
673 1 2 . 1 1 85 85 ARG N N 67 120.431 120.431 118.013 2.418 18492
674 1 2 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.432 -0.218 18492
675 1 2 . 1 1 85 85 ARG C C 67 176.547 176.547 176.410 0.137 18492
676 1 2 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.986 0.900 18492
677 1 2 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.855 -0.530 18492
678 1 2 . 1 1 85 85 ARG H H 67 7.873 7.873 7.574 0.299 18492
679 1 2 . 1 1 86 86 LYS N N 68 121.690 121.690 121.252 0.438 18492
680 1 2 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.444 -0.179 18492
681 1 2 . 1 1 86 86 LYS C C 68 176.561 176.561 175.490 1.071 18492
682 1 2 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.318 1.608 18492
683 1 2 . 1 1 86 86 LYS CB C 68 32.886 32.886 33.099 -0.212 18492
684 1 2 . 1 1 86 86 LYS H H 68 8.040 8.040 7.731 0.309 18492
685 1 2 . 1 1 87 87 LYS N N 69 122.486 122.486 122.053 0.433 18492
686 1 2 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.424 -0.155 18492
687 1 2 . 1 1 87 87 LYS C C 69 176.383 176.383 175.234 1.149 18492
688 1 2 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.257 0.243 18492
689 1 2 . 1 1 87 87 LYS CB C 69 33.100 33.100 33.229 -0.129 18492
690 1 2 . 1 1 87 87 LYS H H 69 8.116 8.116 8.359 -0.243 18492
691 1 2 . 1 1 88 88 LYS N N 70 123.589 123.589 122.335 1.254 18492
692 1 2 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.831 -0.584 18492
693 1 2 . 1 1 88 88 LYS C C 70 175.618 175.618 175.784 -0.166 18492
694 1 2 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.212 1.481 18492
695 1 2 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.446 -0.357 18492
696 1 2 . 1 1 88 88 LYS H H 70 8.247 8.247 8.500 -0.253 18492
697 1 3 . 1 1 20 20 THR N N 2 114.872 114.872 119.515 -4.643 18492
698 1 3 . 1 1 20 20 THR HA H 2 4.639 4.639 4.496 0.143 18492
699 1 3 . 1 1 20 20 THR C C 2 175.858 175.858 175.806 0.052 18492
700 1 3 . 1 1 20 20 THR CA C 2 59.992 59.992 61.843 -1.851 18492
701 1 3 . 1 1 20 20 THR CB C 2 71.359 71.359 70.114 1.245 18492
702 1 3 . 1 1 20 20 THR H H 2 9.423 9.423 8.428 0.995 18492
703 1 3 . 1 1 21 21 GLU N N 3 121.694 121.694 123.426 -1.732 18492
704 1 3 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.968 0.051 18492
705 1 3 . 1 1 21 21 GLU C C 3 179.808 179.808 178.001 1.807 18492
706 1 3 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.901 0.341 18492
707 1 3 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.260 0.073 18492
708 1 3 . 1 1 21 21 GLU H H 3 9.120 9.120 9.016 0.104 18492
709 1 3 . 1 1 22 22 GLU N N 4 120.617 120.617 118.441 2.176 18492
710 1 3 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.134 -0.032 18492
711 1 3 . 1 1 22 22 GLU C C 4 179.604 179.604 178.932 0.672 18492
712 1 3 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.264 0.639 18492
713 1 3 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.759 0.410 18492
714 1 3 . 1 1 22 22 GLU H H 4 8.735 8.735 8.792 -0.057 18492
715 1 3 . 1 1 23 23 GLU N N 5 120.811 120.811 118.940 1.871 18492
716 1 3 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.170 -0.096 18492
717 1 3 . 1 1 23 23 GLU C C 5 179.511 179.511 178.936 0.575 18492
718 1 3 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.569 0.897 18492
719 1 3 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.828 2.585 18492
720 1 3 . 1 1 23 23 GLU H H 5 7.887 7.887 7.846 0.041 18492
721 1 3 . 1 1 24 24 MET N N 6 117.260 117.260 118.698 -1.438 18492
722 1 3 . 1 1 24 24 MET HA H 6 3.665 3.665 4.481 -0.816 18492
723 1 3 . 1 1 24 24 MET C C 6 178.480 178.480 178.976 -0.496 18492
724 1 3 . 1 1 24 24 MET CA C 6 60.134 60.134 58.449 1.685 18492
725 1 3 . 1 1 24 24 MET CB C 6 33.059 33.059 32.405 0.654 18492
726 1 3 . 1 1 24 24 MET H H 6 8.607 8.607 8.508 0.099 18492
727 1 3 . 1 1 25 25 GLY N N 7 106.564 106.564 108.053 -1.489 18492
728 1 3 . 1 1 25 25 GLY C C 7 177.376 177.376 175.685 1.691 18492
729 1 3 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.283 0.049 18492
730 1 3 . 1 1 25 25 GLY H H 7 8.494 8.494 8.098 0.396 18492
731 1 3 . 1 1 26 26 THR N N 8 121.127 121.127 118.631 2.496 18492
732 1 3 . 1 1 26 26 THR HA H 8 3.956 3.956 4.042 -0.086 18492
733 1 3 . 1 1 26 26 THR C C 8 175.895 175.895 176.107 -0.212 18492
734 1 3 . 1 1 26 26 THR CA C 8 66.737 66.737 66.683 0.054 18492
735 1 3 . 1 1 26 26 THR CB C 8 67.623 67.623 68.417 -0.794 18492
736 1 3 . 1 1 26 26 THR H H 8 8.242 8.242 7.697 0.545 18492
737 1 3 . 1 1 27 27 ALA N N 9 125.226 125.226 124.888 0.338 18492
738 1 3 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.069 -0.190 18492
739 1 3 . 1 1 27 27 ALA C C 9 179.361 179.361 178.869 0.492 18492
740 1 3 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.349 0.395 18492
741 1 3 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.091 -0.402 18492
742 1 3 . 1 1 27 27 ALA H H 9 8.605 8.605 8.087 0.518 18492
743 1 3 . 1 1 28 28 LYS N N 10 116.449 116.449 119.041 -2.592 18492
744 1 3 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.042 -0.148 18492
745 1 3 . 1 1 28 28 LYS C C 10 179.264 179.264 178.876 0.388 18492
746 1 3 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.248 2.006 18492
747 1 3 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.381 -0.189 18492
748 1 3 . 1 1 28 28 LYS H H 10 8.149 8.149 7.944 0.205 18492
749 1 3 . 1 1 29 29 LYS N N 11 121.248 121.248 118.713 2.535 18492
750 1 3 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.089 -0.062 18492
751 1 3 . 1 1 29 29 LYS C C 11 179.168 179.168 179.017 0.151 18492
752 1 3 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.770 0.841 18492
753 1 3 . 1 1 29 29 LYS CB C 11 32.109 32.109 32.108 0.001 18492
754 1 3 . 1 1 29 29 LYS H H 11 7.747 7.747 7.740 0.007 18492
755 1 3 . 1 1 30 30 GLY N N 12 108.727 108.727 107.252 1.475 18492
756 1 3 . 1 1 30 30 GLY C C 12 174.800 174.800 176.412 -1.612 18492
757 1 3 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.159 1.860 18492
758 1 3 . 1 1 30 30 GLY H H 12 8.838 8.838 7.958 0.880 18492
759 1 3 . 1 1 31 31 LEU N N 13 124.189 124.189 122.027 2.162 18492
760 1 3 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.349 -0.260 18492
761 1 3 . 1 1 31 31 LEU C C 13 179.023 179.023 179.279 -0.256 18492
762 1 3 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.645 0.834 18492
763 1 3 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.857 0.698 18492
764 1 3 . 1 1 31 31 LEU H H 13 8.520 8.520 8.267 0.253 18492
765 1 3 . 1 1 32 32 LEU N N 14 119.512 119.512 119.289 0.223 18492
766 1 3 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.927 0.031 18492
767 1 3 . 1 1 32 32 LEU C C 14 178.844 178.844 177.100 1.744 18492
768 1 3 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.178 0.757 18492
769 1 3 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.245 -0.580 18492
770 1 3 . 1 1 32 32 LEU H H 14 7.322 7.322 7.681 -0.359 18492
771 1 3 . 1 1 33 33 GLU N N 15 117.254 117.254 117.058 0.196 18492
772 1 3 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.792 0.210 18492
773 1 3 . 1 1 33 33 GLU C C 15 178.636 178.636 178.810 -0.174 18492
774 1 3 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.086 0.591 18492
775 1 3 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.279 0.144 18492
776 1 3 . 1 1 33 33 GLU H H 15 7.940 7.940 7.521 0.419 18492
777 1 3 . 1 1 34 34 HIS N N 16 113.397 113.397 116.082 -2.685 18492
778 1 3 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.474 0.292 18492
779 1 3 . 1 1 34 34 HIS C C 16 176.465 176.465 176.509 -0.044 18492
780 1 3 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.634 -2.107 18492
781 1 3 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.689 1.705 18492
782 1 3 . 1 1 34 34 HIS H H 16 8.732 8.732 8.299 0.433 18492
783 1 3 . 1 1 35 35 GLY N N 17 112.392 112.392 108.278 4.114 18492
784 1 3 . 1 1 35 35 GLY C C 17 172.914 172.914 174.390 -1.476 18492
785 1 3 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.683 1.048 18492
786 1 3 . 1 1 35 35 GLY H H 17 7.475 7.475 7.569 -0.094 18492
787 1 3 . 1 1 36 36 ARG N N 18 121.605 121.605 120.482 1.123 18492
788 1 3 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.502 -0.817 18492
789 1 3 . 1 1 36 36 ARG C C 18 174.673 174.673 175.010 -0.337 18492
790 1 3 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.017 -0.341 18492
791 1 3 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.628 -0.858 18492
792 1 3 . 1 1 36 36 ARG H H 18 7.805 7.805 8.309 -0.504 18492
793 1 3 . 1 1 37 37 ASN N N 19 118.725 118.725 119.641 -0.916 18492
794 1 3 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.332 0.128 18492
795 1 3 . 1 1 37 37 ASN C C 19 175.272 175.272 175.393 -0.121 18492
796 1 3 . 1 1 37 37 ASN CA C 19 50.354 50.354 51.959 -1.605 18492
797 1 3 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.331 -0.157 18492
798 1 3 . 1 1 37 37 ASN H H 19 6.939 6.939 7.596 -0.657 18492
799 1 3 . 1 1 38 38 TRP N N 20 123.054 123.054 126.113 -3.059 18492
800 1 3 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.416 -0.004 18492
801 1 3 . 1 1 38 38 TRP C C 20 177.950 177.950 178.097 -0.147 18492
802 1 3 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.180 -0.378 18492
803 1 3 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.046 1.554 18492
804 1 3 . 1 1 38 38 TRP H H 20 7.064 7.064 7.826 -0.762 18492
805 1 3 . 1 1 39 39 SER N N 21 112.959 112.959 115.213 -2.254 18492
806 1 3 . 1 1 39 39 SER HA H 21 4.171 4.171 4.128 0.043 18492
807 1 3 . 1 1 39 39 SER C C 21 176.653 176.653 176.206 0.447 18492
808 1 3 . 1 1 39 39 SER CA C 21 61.632 61.632 61.977 -0.345 18492
809 1 3 . 1 1 39 39 SER CB C 21 62.389 62.389 62.813 -0.424 18492
810 1 3 . 1 1 39 39 SER H H 21 8.526 8.526 8.148 0.378 18492
811 1 3 . 1 1 40 40 ALA N N 22 124.572 124.572 123.544 1.028 18492
812 1 3 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.041 -0.232 18492
813 1 3 . 1 1 40 40 ALA C C 22 180.307 180.307 179.861 0.446 18492
814 1 3 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.798 -0.462 18492
815 1 3 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.138 -1.318 18492
816 1 3 . 1 1 40 40 ALA H H 22 7.130 7.130 7.589 -0.459 18492
817 1 3 . 1 1 41 41 ILE N N 23 118.436 118.436 117.389 1.047 18492
818 1 3 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.789 -0.204 18492
819 1 3 . 1 1 41 41 ILE C C 23 177.684 177.684 177.580 0.104 18492
820 1 3 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.025 3.846 18492
821 1 3 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.770 1.682 18492
822 1 3 . 1 1 41 41 ILE H H 23 7.750 7.750 7.851 -0.101 18492
823 1 3 . 1 1 42 42 ALA N N 24 122.987 122.987 122.418 0.569 18492
824 1 3 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.100 -0.180 18492
825 1 3 . 1 1 42 42 ALA C C 24 180.335 180.335 179.238 1.097 18492
826 1 3 . 1 1 42 42 ALA CA C 24 56.102 56.102 54.974 1.128 18492
827 1 3 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.413 -0.079 18492
828 1 3 . 1 1 42 42 ALA H H 24 8.730 8.730 8.173 0.557 18492
829 1 3 . 1 1 43 43 ARG N N 25 117.188 117.188 117.902 -0.714 18492
830 1 3 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.116 -0.094 18492
831 1 3 . 1 1 43 43 ARG C C 25 178.559 178.559 178.720 -0.161 18492
832 1 3 . 1 1 43 43 ARG CA C 25 59.066 59.066 59.037 0.029 18492
833 1 3 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.310 -0.356 18492
834 1 3 . 1 1 43 43 ARG H H 25 7.511 7.511 7.672 -0.161 18492
835 1 3 . 1 1 44 44 MET N N 26 117.388 117.388 119.457 -2.069 18492
836 1 3 . 1 1 44 44 MET HA H 26 4.029 4.029 4.242 -0.213 18492
837 1 3 . 1 1 44 44 MET C C 26 177.655 177.655 177.675 -0.020 18492
838 1 3 . 1 1 44 44 MET CA C 26 58.926 58.926 58.624 0.302 18492
839 1 3 . 1 1 44 44 MET CB C 26 34.267 34.267 33.083 1.184 18492
840 1 3 . 1 1 44 44 MET H H 26 7.399 7.399 7.564 -0.165 18492
841 1 3 . 1 1 45 45 VAL N N 27 119.232 119.232 113.822 5.410 18492
842 1 3 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.190 -0.609 18492
843 1 3 . 1 1 45 45 VAL C C 27 178.991 178.991 177.555 1.436 18492
844 1 3 . 1 1 45 45 VAL CA C 27 65.759 65.759 63.949 1.810 18492
845 1 3 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.372 0.033 18492
846 1 3 . 1 1 45 45 VAL H H 27 8.526 8.526 8.276 0.250 18492
847 1 3 . 1 1 46 46 GLY N N 28 108.996 108.996 108.298 0.698 18492
848 1 3 . 1 1 46 46 GLY C C 28 175.739 175.739 175.078 0.661 18492
849 1 3 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.413 1.837 18492
850 1 3 . 1 1 46 46 GLY H H 28 8.663 8.663 7.824 0.839 18492
851 1 3 . 1 1 47 47 SER N N 29 112.827 112.827 113.017 -0.190 18492
852 1 3 . 1 1 47 47 SER HA H 29 4.291 4.291 4.153 0.138 18492
853 1 3 . 1 1 47 47 SER C C 29 173.701 173.701 174.271 -0.570 18492
854 1 3 . 1 1 47 47 SER CA C 29 57.352 57.352 59.005 -1.653 18492
855 1 3 . 1 1 47 47 SER CB C 29 62.198 62.198 62.531 -0.333 18492
856 1 3 . 1 1 47 47 SER H H 29 7.948 7.948 7.993 -0.045 18492
857 1 3 . 1 1 48 48 LYS N N 30 119.562 119.562 119.885 -0.323 18492
858 1 3 . 1 1 48 48 LYS H H 30 6.655 6.655 7.997 -1.342 18492
859 1 3 . 1 1 49 49 THR N N 31 111.264 111.264 114.735 -3.471 18492
860 1 3 . 1 1 49 49 THR HA H 31 4.377 4.377 4.634 -0.257 18492
861 1 3 . 1 1 49 49 THR C C 31 176.481 176.481 175.633 0.848 18492
862 1 3 . 1 1 49 49 THR CA C 31 60.302 60.302 60.648 -0.346 18492
863 1 3 . 1 1 49 49 THR CB C 31 72.012 72.012 71.635 0.377 18492
864 1 3 . 1 1 49 49 THR H H 31 8.900 8.900 7.986 0.914 18492
865 1 3 . 1 1 50 50 VAL N N 32 121.079 121.079 125.961 -4.882 18492
866 1 3 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.853 -0.333 18492
867 1 3 . 1 1 50 50 VAL C C 32 177.818 177.818 177.943 -0.125 18492
868 1 3 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.525 2.541 18492
869 1 3 . 1 1 50 50 VAL CB C 32 31.830 31.830 32.030 -0.200 18492
870 1 3 . 1 1 50 50 VAL H H 32 8.697 8.697 8.832 -0.135 18492
871 1 3 . 1 1 51 51 SER N N 33 113.769 113.769 114.046 -0.277 18492
872 1 3 . 1 1 51 51 SER HA H 33 3.995 3.995 4.130 -0.135 18492
873 1 3 . 1 1 51 51 SER C C 33 177.346 177.346 176.271 1.075 18492
874 1 3 . 1 1 51 51 SER CA C 33 61.640 61.640 60.974 0.666 18492
875 1 3 . 1 1 51 51 SER CB C 33 62.431 62.431 62.655 -0.224 18492
876 1 3 . 1 1 51 51 SER H H 33 8.334 8.334 8.287 0.047 18492
877 1 3 . 1 1 52 52 GLN N N 34 120.084 120.084 120.851 -0.767 18492
878 1 3 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.177 0.126 18492
879 1 3 . 1 1 52 52 GLN C C 34 180.343 180.343 178.132 2.211 18492
880 1 3 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.996 0.286 18492
881 1 3 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.536 1.026 18492
882 1 3 . 1 1 52 52 GLN H H 34 7.781 7.781 8.051 -0.270 18492
883 1 3 . 1 1 53 53 CYS N N 35 120.950 120.950 116.771 4.179 18492
884 1 3 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.566 -0.107 18492
885 1 3 . 1 1 53 53 CYS C C 35 175.170 175.170 176.466 -1.296 18492
886 1 3 . 1 1 53 53 CYS CA C 35 65.582 65.582 59.739 5.843 18492
887 1 3 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.019 0.095 18492
888 1 3 . 1 1 53 53 CYS H H 35 8.748 8.748 7.975 0.773 18492
889 1 3 . 1 1 54 54 LYS N N 36 120.488 120.488 121.815 -1.327 18492
890 1 3 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.070 -0.845 18492
891 1 3 . 1 1 54 54 LYS C C 36 177.848 177.848 178.992 -1.144 18492
892 1 3 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.952 0.509 18492
893 1 3 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.936 -0.002 18492
894 1 3 . 1 1 54 54 LYS H H 36 7.790 7.790 7.670 0.120 18492
895 1 3 . 1 1 55 55 ASN N N 37 116.085 116.085 117.368 -1.283 18492
896 1 3 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.595 -0.171 18492
897 1 3 . 1 1 55 55 ASN C C 37 177.149 177.149 178.166 -1.017 18492
898 1 3 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.604 0.482 18492
899 1 3 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.212 0.257 18492
900 1 3 . 1 1 55 55 ASN H H 37 7.988 7.988 8.201 -0.213 18492
901 1 3 . 1 1 56 56 PHE N N 38 121.512 121.512 122.645 -1.133 18492
902 1 3 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.118 -0.538 18492
903 1 3 . 1 1 56 56 PHE C C 38 175.968 175.968 176.511 -0.543 18492
904 1 3 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.731 -0.074 18492
905 1 3 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.627 0.234 18492
906 1 3 . 1 1 56 56 PHE H H 38 8.117 8.117 7.698 0.419 18492
907 1 3 . 1 1 57 57 TYR N N 39 114.465 114.465 117.347 -2.882 18492
908 1 3 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.904 -0.237 18492
909 1 3 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.385 1.463 18492
910 1 3 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.065 0.655 18492
911 1 3 . 1 1 57 57 TYR H H 39 7.723 7.723 7.535 0.188 18492
912 1 3 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.162 -0.075 18492
913 1 3 . 1 1 66 66 LEU C C 48 179.076 179.076 177.469 1.607 18492
914 1 3 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.291 -0.027 18492
915 1 3 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.431 -0.279 18492
916 1 3 . 1 1 67 67 ASP N N 49 118.908 118.908 118.739 0.169 18492
917 1 3 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.323 0.374 18492
918 1 3 . 1 1 67 67 ASP C C 49 179.483 179.483 178.054 1.429 18492
919 1 3 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.527 -0.041 18492
920 1 3 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.801 -1.723 18492
921 1 3 . 1 1 67 67 ASP H H 49 8.630 8.630 8.620 0.010 18492
922 1 3 . 1 1 68 68 GLU N N 50 122.261 122.261 119.500 2.761 18492
923 1 3 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.126 -0.004 18492
924 1 3 . 1 1 68 68 GLU C C 50 179.120 179.120 178.750 0.370 18492
925 1 3 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.984 0.397 18492
926 1 3 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.612 -0.429 18492
927 1 3 . 1 1 68 68 GLU H H 50 7.906 7.906 7.656 0.250 18492
928 1 3 . 1 1 69 69 ILE N N 51 120.582 120.582 121.022 -0.440 18492
929 1 3 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.797 -0.003 18492
930 1 3 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.847 -0.118 18492
931 1 3 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.618 -0.155 18492
932 1 3 . 1 1 69 69 ILE H H 51 7.296 7.296 7.415 -0.119 18492
933 1 3 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.204 -0.116 18492
934 1 3 . 1 1 70 70 LEU C C 52 180.091 180.091 179.454 0.637 18492
935 1 3 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.260 0.591 18492
936 1 3 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.580 0.585 18492
937 1 3 . 1 1 71 71 GLN N N 53 121.069 121.069 119.443 1.626 18492
938 1 3 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.994 0.186 18492
939 1 3 . 1 1 71 71 GLN C C 53 178.551 178.551 178.311 0.240 18492
940 1 3 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.778 0.023 18492
941 1 3 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.157 -0.406 18492
942 1 3 . 1 1 71 71 GLN H H 53 8.075 8.075 7.692 0.383 18492
943 1 3 . 1 1 72 72 GLN N N 54 119.983 119.983 117.989 1.994 18492
944 1 3 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.061 -0.041 18492
945 1 3 . 1 1 72 72 GLN C C 54 179.376 179.376 178.747 0.629 18492
946 1 3 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.322 0.510 18492
947 1 3 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.194 -0.116 18492
948 1 3 . 1 1 72 72 GLN H H 54 7.900 7.900 8.264 -0.364 18492
949 1 3 . 1 1 73 73 HIS N N 55 120.410 120.410 120.122 0.288 18492
950 1 3 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.236 0.078 18492
951 1 3 . 1 1 73 73 HIS C C 55 176.222 176.222 177.269 -1.047 18492
952 1 3 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.002 1.000 18492
953 1 3 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.773 -1.610 18492
954 1 3 . 1 1 73 73 HIS H H 55 8.637 8.637 8.127 0.510 18492
955 1 3 . 1 1 74 74 LYS N N 56 120.014 120.014 119.240 0.774 18492
956 1 3 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.949 -0.184 18492
957 1 3 . 1 1 74 74 LYS C C 56 179.024 179.024 178.691 0.333 18492
958 1 3 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.275 0.371 18492
959 1 3 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.646 -0.451 18492
960 1 3 . 1 1 74 74 LYS H H 56 7.944 7.944 7.626 0.318 18492
961 1 3 . 1 1 75 75 LEU N N 57 119.352 119.352 117.545 1.807 18492
962 1 3 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.094 -0.040 18492
963 1 3 . 1 1 75 75 LEU C C 57 179.386 179.386 179.095 0.291 18492
964 1 3 . 1 1 75 75 LEU CA C 57 57.646 57.646 58.229 -0.583 18492
965 1 3 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.340 0.439 18492
966 1 3 . 1 1 75 75 LEU H H 57 7.870 7.870 8.129 -0.259 18492
967 1 3 . 1 1 76 76 LYS N N 58 121.054 121.054 119.138 1.916 18492
968 1 3 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.980 -0.012 18492
969 1 3 . 1 1 76 76 LYS C C 58 178.872 178.872 178.726 0.146 18492
970 1 3 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.062 0.244 18492
971 1 3 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.115 0.138 18492
972 1 3 . 1 1 76 76 LYS H H 58 7.943 7.943 7.839 0.104 18492
973 1 3 . 1 1 77 77 MET N N 59 117.676 117.676 119.417 -1.741 18492
974 1 3 . 1 1 77 77 MET HA H 59 4.164 4.164 4.180 -0.016 18492
975 1 3 . 1 1 77 77 MET C C 59 179.131 179.131 177.951 1.180 18492
976 1 3 . 1 1 77 77 MET CA C 59 57.271 57.271 57.604 -0.333 18492
977 1 3 . 1 1 77 77 MET CB C 59 31.676 31.676 32.250 -0.574 18492
978 1 3 . 1 1 77 77 MET H H 59 7.910 7.910 7.756 0.154 18492
979 1 3 . 1 1 78 78 GLU N N 60 120.695 120.695 118.674 2.021 18492
980 1 3 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.963 0.037 18492
981 1 3 . 1 1 78 78 GLU C C 60 178.407 178.407 178.610 -0.203 18492
982 1 3 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.145 0.133 18492
983 1 3 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.590 -0.121 18492
984 1 3 . 1 1 78 78 GLU H H 60 8.005 8.005 8.156 -0.151 18492
985 1 3 . 1 1 79 79 LYS N N 61 119.944 119.944 119.985 -0.041 18492
986 1 3 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.933 0.141 18492
987 1 3 . 1 1 79 79 LYS C C 61 179.350 179.350 178.945 0.405 18492
988 1 3 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.767 -0.715 18492
989 1 3 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.444 -0.203 18492
990 1 3 . 1 1 79 79 LYS H H 61 7.993 7.993 7.835 0.158 18492
991 1 3 . 1 1 80 80 GLU N N 62 119.421 119.421 116.854 2.567 18492
992 1 3 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.089 -0.037 18492
993 1 3 . 1 1 80 80 GLU C C 62 178.434 178.434 179.013 -0.579 18492
994 1 3 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.863 -0.285 18492
995 1 3 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.195 0.316 18492
996 1 3 . 1 1 80 80 GLU H H 62 8.011 8.011 7.768 0.243 18492
997 1 3 . 1 1 81 81 ARG N N 63 120.087 120.087 119.726 0.361 18492
998 1 3 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.003 0.060 18492
999 1 3 . 1 1 81 81 ARG C C 63 178.289 178.289 178.386 -0.097 18492
1000 1 3 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.424 -0.695 18492
1001 1 3 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.301 -0.317 18492
1002 1 3 . 1 1 81 81 ARG H H 63 8.038 8.038 7.710 0.328 18492
1003 1 3 . 1 1 82 82 ASN N N 64 117.835 117.835 117.898 -0.063 18492
1004 1 3 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.553 -0.027 18492
1005 1 3 . 1 1 82 82 ASN C C 64 176.397 176.397 177.224 -0.827 18492
1006 1 3 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.851 -1.176 18492
1007 1 3 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.485 0.010 18492
1008 1 3 . 1 1 82 82 ASN H H 64 8.176 8.176 8.090 0.086 18492
1009 1 3 . 1 1 83 83 ALA N N 65 122.797 122.797 122.276 0.521 18492
1010 1 3 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.198 0.006 18492
1011 1 3 . 1 1 83 83 ALA C C 65 178.776 178.776 179.307 -0.531 18492
1012 1 3 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.315 -0.557 18492
1013 1 3 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.649 0.120 18492
1014 1 3 . 1 1 83 83 ALA H H 65 7.883 7.883 7.662 0.221 18492
1015 1 3 . 1 1 84 84 ARG N N 66 118.042 118.042 117.656 0.386 18492
1016 1 3 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.135 0.078 18492
1017 1 3 . 1 1 84 84 ARG C C 66 177.040 177.040 178.425 -1.385 18492
1018 1 3 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.693 -0.623 18492
1019 1 3 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.234 0.151 18492
1020 1 3 . 1 1 84 84 ARG H H 66 7.855 7.855 7.900 -0.045 18492
1021 1 3 . 1 1 85 85 ARG N N 67 120.431 120.431 118.403 2.028 18492
1022 1 3 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.245 -0.031 18492
1023 1 3 . 1 1 85 85 ARG C C 67 176.547 176.547 176.450 0.097 18492
1024 1 3 . 1 1 85 85 ARG CA C 67 56.886 56.886 57.176 -0.290 18492
1025 1 3 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.459 -0.134 18492
1026 1 3 . 1 1 85 85 ARG H H 67 7.873 7.873 7.742 0.131 18492
1027 1 3 . 1 1 86 86 LYS N N 68 121.690 121.690 121.843 -0.153 18492
1028 1 3 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.118 0.147 18492
1029 1 3 . 1 1 86 86 LYS C C 68 176.561 176.561 175.700 0.861 18492
1030 1 3 . 1 1 86 86 LYS CA C 68 56.926 56.926 57.160 -0.234 18492
1031 1 3 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.099 0.787 18492
1032 1 3 . 1 1 86 86 LYS H H 68 8.040 8.040 7.446 0.594 18492
1033 1 3 . 1 1 87 87 LYS N N 69 122.486 122.486 125.456 -2.970 18492
1034 1 3 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.434 -0.165 18492
1035 1 3 . 1 1 87 87 LYS C C 69 176.383 176.383 175.032 1.351 18492
1036 1 3 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.349 0.152 18492
1037 1 3 . 1 1 87 87 LYS CB C 69 33.100 33.100 33.223 -0.123 18492
1038 1 3 . 1 1 87 87 LYS H H 69 8.116 8.116 8.233 -0.117 18492
1039 1 3 . 1 1 88 88 LYS N N 70 123.589 123.589 123.315 0.274 18492
1040 1 3 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.770 -0.523 18492
1041 1 3 . 1 1 88 88 LYS C C 70 175.618 175.618 174.634 0.984 18492
1042 1 3 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.866 0.827 18492
1043 1 3 . 1 1 88 88 LYS CB C 70 33.089 33.089 34.092 -1.003 18492
1044 1 3 . 1 1 88 88 LYS H H 70 8.247 8.247 8.517 -0.270 18492
1045 1 4 . 1 1 20 20 THR N N 2 114.872 114.872 119.244 -4.372 18492
1046 1 4 . 1 1 20 20 THR HA H 2 4.639 4.639 4.508 0.131 18492
1047 1 4 . 1 1 20 20 THR C C 2 175.858 175.858 175.585 0.273 18492
1048 1 4 . 1 1 20 20 THR CA C 2 59.992 59.992 62.661 -2.669 18492
1049 1 4 . 1 1 20 20 THR CB C 2 71.359 71.359 70.481 0.878 18492
1050 1 4 . 1 1 20 20 THR H H 2 9.423 9.423 8.578 0.845 18492
1051 1 4 . 1 1 21 21 GLU N N 3 121.694 121.694 125.819 -4.125 18492
1052 1 4 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.089 -0.070 18492
1053 1 4 . 1 1 21 21 GLU C C 3 179.808 179.808 178.579 1.229 18492
1054 1 4 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.886 0.356 18492
1055 1 4 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.502 -0.168 18492
1056 1 4 . 1 1 21 21 GLU H H 3 9.120 9.120 8.999 0.121 18492
1057 1 4 . 1 1 22 22 GLU N N 4 120.617 120.617 119.027 1.590 18492
1058 1 4 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.080 0.022 18492
1059 1 4 . 1 1 22 22 GLU C C 4 179.604 179.604 178.847 0.757 18492
1060 1 4 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.625 0.278 18492
1061 1 4 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.167 0.002 18492
1062 1 4 . 1 1 22 22 GLU H H 4 8.735 8.735 8.713 0.022 18492
1063 1 4 . 1 1 23 23 GLU N N 5 120.811 120.811 119.276 1.535 18492
1064 1 4 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.129 -0.055 18492
1065 1 4 . 1 1 23 23 GLU C C 5 179.511 179.511 178.745 0.766 18492
1066 1 4 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.424 1.043 18492
1067 1 4 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.122 2.291 18492
1068 1 4 . 1 1 23 23 GLU H H 5 7.887 7.887 7.910 -0.023 18492
1069 1 4 . 1 1 24 24 MET N N 6 117.260 117.260 120.509 -3.249 18492
1070 1 4 . 1 1 24 24 MET HA H 6 3.665 3.665 4.086 -0.421 18492
1071 1 4 . 1 1 24 24 MET C C 6 178.480 178.480 178.484 -0.004 18492
1072 1 4 . 1 1 24 24 MET CA C 6 60.134 60.134 58.722 1.412 18492
1073 1 4 . 1 1 24 24 MET CB C 6 33.059 33.059 32.800 0.259 18492
1074 1 4 . 1 1 24 24 MET H H 6 8.607 8.607 8.684 -0.077 18492
1075 1 4 . 1 1 25 25 GLY N N 7 106.564 106.564 105.882 0.682 18492
1076 1 4 . 1 1 25 25 GLY C C 7 177.376 177.376 175.677 1.699 18492
1077 1 4 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.230 0.102 18492
1078 1 4 . 1 1 25 25 GLY H H 7 8.494 8.494 8.156 0.338 18492
1079 1 4 . 1 1 26 26 THR N N 8 121.127 121.127 119.118 2.009 18492
1080 1 4 . 1 1 26 26 THR HA H 8 3.956 3.956 4.047 -0.091 18492
1081 1 4 . 1 1 26 26 THR C C 8 175.895 175.895 176.280 -0.385 18492
1082 1 4 . 1 1 26 26 THR CA C 8 66.737 66.737 66.909 -0.172 18492
1083 1 4 . 1 1 26 26 THR CB C 8 67.623 67.623 68.526 -0.903 18492
1084 1 4 . 1 1 26 26 THR H H 8 8.242 8.242 7.807 0.435 18492
1085 1 4 . 1 1 27 27 ALA N N 9 125.226 125.226 124.352 0.874 18492
1086 1 4 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.062 -0.183 18492
1087 1 4 . 1 1 27 27 ALA C C 9 179.361 179.361 178.828 0.533 18492
1088 1 4 . 1 1 27 27 ALA CA C 9 55.744 55.744 54.823 0.921 18492
1089 1 4 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.728 -0.039 18492
1090 1 4 . 1 1 27 27 ALA H H 9 8.605 8.605 8.056 0.549 18492
1091 1 4 . 1 1 28 28 LYS N N 10 116.449 116.449 119.597 -3.148 18492
1092 1 4 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.119 -0.225 18492
1093 1 4 . 1 1 28 28 LYS C C 10 179.264 179.264 178.762 0.502 18492
1094 1 4 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.370 1.884 18492
1095 1 4 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.435 -0.243 18492
1096 1 4 . 1 1 28 28 LYS H H 10 8.149 8.149 7.941 0.208 18492
1097 1 4 . 1 1 29 29 LYS N N 11 121.248 121.248 118.792 2.456 18492
1098 1 4 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.114 -0.087 18492
1099 1 4 . 1 1 29 29 LYS C C 11 179.168 179.168 178.960 0.208 18492
1100 1 4 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.459 1.152 18492
1101 1 4 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.954 0.155 18492
1102 1 4 . 1 1 29 29 LYS H H 11 7.747 7.747 7.996 -0.249 18492
1103 1 4 . 1 1 30 30 GLY N N 12 108.727 108.727 107.830 0.897 18492
1104 1 4 . 1 1 30 30 GLY C C 12 174.800 174.800 176.226 -1.426 18492
1105 1 4 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.159 1.860 18492
1106 1 4 . 1 1 30 30 GLY H H 12 8.838 8.838 7.844 0.994 18492
1107 1 4 . 1 1 31 31 LEU N N 13 124.189 124.189 123.071 1.118 18492
1108 1 4 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.391 -0.302 18492
1109 1 4 . 1 1 31 31 LEU C C 13 179.023 179.023 179.713 -0.690 18492
1110 1 4 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.194 0.284 18492
1111 1 4 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.949 0.606 18492
1112 1 4 . 1 1 31 31 LEU H H 13 8.520 8.520 8.147 0.373 18492
1113 1 4 . 1 1 32 32 LEU N N 14 119.512 119.512 118.888 0.624 18492
1114 1 4 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.914 0.044 18492
1115 1 4 . 1 1 32 32 LEU C C 14 178.844 178.844 177.889 0.955 18492
1116 1 4 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.458 0.477 18492
1117 1 4 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.665 -0.000 18492
1118 1 4 . 1 1 32 32 LEU H H 14 7.322 7.322 7.905 -0.583 18492
1119 1 4 . 1 1 33 33 GLU N N 15 117.254 117.254 117.395 -0.141 18492
1120 1 4 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.934 0.068 18492
1121 1 4 . 1 1 33 33 GLU C C 15 178.636 178.636 178.121 0.515 18492
1122 1 4 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.357 0.320 18492
1123 1 4 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.849 0.574 18492
1124 1 4 . 1 1 33 33 GLU H H 15 7.940 7.940 7.732 0.208 18492
1125 1 4 . 1 1 34 34 HIS N N 16 113.397 113.397 114.347 -0.950 18492
1126 1 4 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.558 0.208 18492
1127 1 4 . 1 1 34 34 HIS C C 16 176.465 176.465 176.376 0.089 18492
1128 1 4 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.556 -2.029 18492
1129 1 4 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.473 0.921 18492
1130 1 4 . 1 1 34 34 HIS H H 16 8.732 8.732 8.081 0.652 18492
1131 1 4 . 1 1 35 35 GLY N N 17 112.392 112.392 107.621 4.771 18492
1132 1 4 . 1 1 35 35 GLY C C 17 172.914 172.914 173.545 -0.631 18492
1133 1 4 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.369 1.362 18492
1134 1 4 . 1 1 35 35 GLY H H 17 7.475 7.475 7.632 -0.157 18492
1135 1 4 . 1 1 36 36 ARG N N 18 121.605 121.605 120.541 1.064 18492
1136 1 4 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.891 -1.206 18492
1137 1 4 . 1 1 36 36 ARG C C 18 174.673 174.673 174.966 -0.293 18492
1138 1 4 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.364 -0.688 18492
1139 1 4 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.569 -0.798 18492
1140 1 4 . 1 1 36 36 ARG H H 18 7.805 7.805 8.392 -0.587 18492
1141 1 4 . 1 1 37 37 ASN N N 19 118.725 118.725 121.037 -2.312 18492
1142 1 4 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.532 -0.072 18492
1143 1 4 . 1 1 37 37 ASN C C 19 175.272 175.272 175.465 -0.193 18492
1144 1 4 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.797 -2.443 18492
1145 1 4 . 1 1 37 37 ASN CB C 19 37.174 37.174 38.134 -0.960 18492
1146 1 4 . 1 1 37 37 ASN H H 19 6.939 6.939 7.886 -0.947 18492
1147 1 4 . 1 1 38 38 TRP N N 20 123.054 123.054 125.833 -2.779 18492
1148 1 4 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.365 0.047 18492
1149 1 4 . 1 1 38 38 TRP C C 20 177.950 177.950 178.184 -0.234 18492
1150 1 4 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.399 -1.597 18492
1151 1 4 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.145 1.455 18492
1152 1 4 . 1 1 38 38 TRP H H 20 7.064 7.064 7.812 -0.748 18492
1153 1 4 . 1 1 39 39 SER N N 21 112.959 112.959 114.015 -1.056 18492
1154 1 4 . 1 1 39 39 SER HA H 21 4.171 4.171 4.303 -0.132 18492
1155 1 4 . 1 1 39 39 SER C C 21 176.653 176.653 176.209 0.444 18492
1156 1 4 . 1 1 39 39 SER CA C 21 61.632 61.632 60.890 0.742 18492
1157 1 4 . 1 1 39 39 SER CB C 21 62.389 62.389 62.608 -0.219 18492
1158 1 4 . 1 1 39 39 SER H H 21 8.526 8.526 8.373 0.153 18492
1159 1 4 . 1 1 40 40 ALA N N 22 124.572 124.572 123.767 0.805 18492
1160 1 4 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.190 -0.381 18492
1161 1 4 . 1 1 40 40 ALA C C 22 180.307 180.307 180.020 0.287 18492
1162 1 4 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.690 -0.354 18492
1163 1 4 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.446 -1.626 18492
1164 1 4 . 1 1 40 40 ALA H H 22 7.130 7.130 8.132 -1.002 18492
1165 1 4 . 1 1 41 41 ILE N N 23 118.436 118.436 117.463 0.973 18492
1166 1 4 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.830 -0.245 18492
1167 1 4 . 1 1 41 41 ILE C C 23 177.684 177.684 177.532 0.152 18492
1168 1 4 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.681 4.190 18492
1169 1 4 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.665 1.787 18492
1170 1 4 . 1 1 41 41 ILE H H 23 7.750 7.750 8.174 -0.424 18492
1171 1 4 . 1 1 42 42 ALA N N 24 122.987 122.987 122.343 0.644 18492
1172 1 4 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.198 -0.278 18492
1173 1 4 . 1 1 42 42 ALA C C 24 180.335 180.335 178.953 1.382 18492
1174 1 4 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.102 1.000 18492
1175 1 4 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.420 -0.086 18492
1176 1 4 . 1 1 42 42 ALA H H 24 8.730 8.730 7.912 0.818 18492
1177 1 4 . 1 1 43 43 ARG N N 25 117.188 117.188 118.393 -1.205 18492
1178 1 4 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.192 -0.170 18492
1179 1 4 . 1 1 43 43 ARG C C 25 178.559 178.559 178.343 0.216 18492
1180 1 4 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.761 0.305 18492
1181 1 4 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.302 -0.348 18492
1182 1 4 . 1 1 43 43 ARG H H 25 7.511 7.511 7.661 -0.150 18492
1183 1 4 . 1 1 44 44 MET N N 26 117.388 117.388 119.759 -2.371 18492
1184 1 4 . 1 1 44 44 MET HA H 26 4.029 4.029 4.265 -0.236 18492
1185 1 4 . 1 1 44 44 MET C C 26 177.655 177.655 177.517 0.138 18492
1186 1 4 . 1 1 44 44 MET CA C 26 58.926 58.926 58.823 0.103 18492
1187 1 4 . 1 1 44 44 MET CB C 26 34.267 34.267 33.048 1.219 18492
1188 1 4 . 1 1 44 44 MET H H 26 7.399 7.399 7.682 -0.283 18492
1189 1 4 . 1 1 45 45 VAL N N 27 119.232 119.232 114.887 4.345 18492
1190 1 4 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.240 -0.659 18492
1191 1 4 . 1 1 45 45 VAL C C 27 178.991 178.991 177.542 1.449 18492
1192 1 4 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.228 1.531 18492
1193 1 4 . 1 1 45 45 VAL CB C 27 32.405 32.405 31.871 0.534 18492
1194 1 4 . 1 1 45 45 VAL H H 27 8.526 8.526 8.221 0.305 18492
1195 1 4 . 1 1 46 46 GLY N N 28 108.996 108.996 108.153 0.843 18492
1196 1 4 . 1 1 46 46 GLY C C 28 175.739 175.739 175.176 0.563 18492
1197 1 4 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.530 1.720 18492
1198 1 4 . 1 1 46 46 GLY H H 28 8.663 8.663 7.902 0.761 18492
1199 1 4 . 1 1 47 47 SER N N 29 112.827 112.827 112.766 0.061 18492
1200 1 4 . 1 1 47 47 SER HA H 29 4.291 4.291 4.237 0.054 18492
1201 1 4 . 1 1 47 47 SER C C 29 173.701 173.701 174.587 -0.886 18492
1202 1 4 . 1 1 47 47 SER CA C 29 57.352 57.352 59.859 -2.507 18492
1203 1 4 . 1 1 47 47 SER CB C 29 62.198 62.198 62.366 -0.168 18492
1204 1 4 . 1 1 47 47 SER H H 29 7.948 7.948 7.752 0.196 18492
1205 1 4 . 1 1 48 48 LYS N N 30 119.562 119.562 118.680 0.882 18492
1206 1 4 . 1 1 48 48 LYS H H 30 6.655 6.655 7.668 -1.013 18492
1207 1 4 . 1 1 49 49 THR N N 31 111.264 111.264 113.818 -2.554 18492
1208 1 4 . 1 1 49 49 THR HA H 31 4.377 4.377 4.611 -0.234 18492
1209 1 4 . 1 1 49 49 THR C C 31 176.481 176.481 175.455 1.026 18492
1210 1 4 . 1 1 49 49 THR CA C 31 60.302 60.302 60.701 -0.399 18492
1211 1 4 . 1 1 49 49 THR CB C 31 72.012 72.012 71.900 0.112 18492
1212 1 4 . 1 1 49 49 THR H H 31 8.900 8.900 7.925 0.975 18492
1213 1 4 . 1 1 50 50 VAL N N 32 121.079 121.079 123.204 -2.125 18492
1214 1 4 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.790 -0.270 18492
1215 1 4 . 1 1 50 50 VAL C C 32 177.818 177.818 177.613 0.205 18492
1216 1 4 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.762 2.303 18492
1217 1 4 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.603 0.227 18492
1218 1 4 . 1 1 50 50 VAL H H 32 8.697 8.697 8.649 0.048 18492
1219 1 4 . 1 1 51 51 SER N N 33 113.769 113.769 114.061 -0.292 18492
1220 1 4 . 1 1 51 51 SER HA H 33 3.995 3.995 4.149 -0.154 18492
1221 1 4 . 1 1 51 51 SER C C 33 177.346 177.346 176.602 0.744 18492
1222 1 4 . 1 1 51 51 SER CA C 33 61.640 61.640 61.253 0.387 18492
1223 1 4 . 1 1 51 51 SER CB C 33 62.431 62.431 62.407 0.024 18492
1224 1 4 . 1 1 51 51 SER H H 33 8.334 8.334 8.174 0.160 18492
1225 1 4 . 1 1 52 52 GLN N N 34 120.084 120.084 121.314 -1.230 18492
1226 1 4 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.316 -0.013 18492
1227 1 4 . 1 1 52 52 GLN C C 34 180.343 180.343 178.433 1.910 18492
1228 1 4 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.236 0.046 18492
1229 1 4 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.412 1.150 18492
1230 1 4 . 1 1 52 52 GLN H H 34 7.781 7.781 7.935 -0.154 18492
1231 1 4 . 1 1 53 53 CYS N N 35 120.950 120.950 117.520 3.430 18492
1232 1 4 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.453 0.006 18492
1233 1 4 . 1 1 53 53 CYS C C 35 175.170 175.170 176.843 -1.673 18492
1234 1 4 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.868 4.714 18492
1235 1 4 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.951 0.163 18492
1236 1 4 . 1 1 53 53 CYS H H 35 8.748 8.748 7.987 0.761 18492
1237 1 4 . 1 1 54 54 LYS N N 36 120.488 120.488 120.885 -0.397 18492
1238 1 4 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.953 -1.728 18492
1239 1 4 . 1 1 54 54 LYS C C 36 177.848 177.848 179.268 -1.420 18492
1240 1 4 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.567 -0.106 18492
1241 1 4 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.839 0.095 18492
1242 1 4 . 1 1 54 54 LYS H H 36 7.790 7.790 7.673 0.117 18492
1243 1 4 . 1 1 55 55 ASN N N 37 116.085 116.085 117.797 -1.712 18492
1244 1 4 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.697 -0.273 18492
1245 1 4 . 1 1 55 55 ASN C C 37 177.149 177.149 177.638 -0.489 18492
1246 1 4 . 1 1 55 55 ASN CA C 37 56.086 56.086 56.222 -0.136 18492
1247 1 4 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.683 -0.214 18492
1248 1 4 . 1 1 55 55 ASN H H 37 7.988 7.988 8.315 -0.327 18492
1249 1 4 . 1 1 56 56 PHE N N 38 121.512 121.512 120.899 0.613 18492
1250 1 4 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.923 -0.343 18492
1251 1 4 . 1 1 56 56 PHE C C 38 175.968 175.968 176.029 -0.061 18492
1252 1 4 . 1 1 56 56 PHE CA C 38 60.657 60.657 61.222 -0.565 18492
1253 1 4 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.570 0.291 18492
1254 1 4 . 1 1 56 56 PHE H H 38 8.117 8.117 7.963 0.154 18492
1255 1 4 . 1 1 57 57 TYR N N 39 114.465 114.465 117.578 -3.113 18492
1256 1 4 . 1 1 57 57 TYR HA H 39 3.667 3.667 4.003 -0.336 18492
1257 1 4 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.219 0.629 18492
1258 1 4 . 1 1 57 57 TYR CB C 39 38.720 38.720 39.282 -0.562 18492
1259 1 4 . 1 1 57 57 TYR H H 39 7.723 7.723 7.572 0.151 18492
1260 1 4 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.108 -0.021 18492
1261 1 4 . 1 1 66 66 LEU C C 48 179.076 179.076 177.777 1.299 18492
1262 1 4 . 1 1 66 66 LEU CA C 48 57.264 57.264 58.057 -0.793 18492
1263 1 4 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.282 -0.130 18492
1264 1 4 . 1 1 67 67 ASP N N 49 118.908 118.908 118.361 0.547 18492
1265 1 4 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.364 0.333 18492
1266 1 4 . 1 1 67 67 ASP C C 49 179.483 179.483 178.170 1.313 18492
1267 1 4 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.739 -0.253 18492
1268 1 4 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.864 -1.786 18492
1269 1 4 . 1 1 67 67 ASP H H 49 8.630 8.630 8.683 -0.053 18492
1270 1 4 . 1 1 68 68 GLU N N 50 122.261 122.261 119.139 3.122 18492
1271 1 4 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.099 0.023 18492
1272 1 4 . 1 1 68 68 GLU C C 50 179.120 179.120 178.982 0.138 18492
1273 1 4 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.734 0.647 18492
1274 1 4 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.135 0.048 18492
1275 1 4 . 1 1 68 68 GLU H H 50 7.906 7.906 7.745 0.161 18492
1276 1 4 . 1 1 69 69 ILE N N 51 120.582 120.582 121.531 -0.949 18492
1277 1 4 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.765 0.029 18492
1278 1 4 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.008 -0.280 18492
1279 1 4 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.880 -0.416 18492
1280 1 4 . 1 1 69 69 ILE H H 51 7.296 7.296 7.345 -0.049 18492
1281 1 4 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.239 -0.151 18492
1282 1 4 . 1 1 70 70 LEU C C 52 180.091 180.091 179.309 0.782 18492
1283 1 4 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.590 1.261 18492
1284 1 4 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.587 0.578 18492
1285 1 4 . 1 1 71 71 GLN N N 53 121.069 121.069 119.600 1.469 18492
1286 1 4 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.963 0.217 18492
1287 1 4 . 1 1 71 71 GLN C C 53 178.551 178.551 178.282 0.269 18492
1288 1 4 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.793 0.008 18492
1289 1 4 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.291 -0.540 18492
1290 1 4 . 1 1 71 71 GLN H H 53 8.075 8.075 7.969 0.106 18492
1291 1 4 . 1 1 72 72 GLN N N 54 119.983 119.983 118.421 1.562 18492
1292 1 4 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.024 -0.004 18492
1293 1 4 . 1 1 72 72 GLN C C 54 179.376 179.376 178.466 0.910 18492
1294 1 4 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.368 0.464 18492
1295 1 4 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.137 -0.059 18492
1296 1 4 . 1 1 72 72 GLN H H 54 7.900 7.900 8.037 -0.137 18492
1297 1 4 . 1 1 73 73 HIS N N 55 120.410 120.410 120.138 0.272 18492
1298 1 4 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.088 0.226 18492
1299 1 4 . 1 1 73 73 HIS C C 55 176.222 176.222 177.128 -0.906 18492
1300 1 4 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.873 0.129 18492
1301 1 4 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.727 -1.563 18492
1302 1 4 . 1 1 73 73 HIS H H 55 8.637 8.637 8.067 0.570 18492
1303 1 4 . 1 1 74 74 LYS N N 56 120.014 120.014 119.243 0.771 18492
1304 1 4 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.871 -0.106 18492
1305 1 4 . 1 1 74 74 LYS C C 56 179.024 179.024 178.776 0.248 18492
1306 1 4 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.731 -0.085 18492
1307 1 4 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.438 -0.243 18492
1308 1 4 . 1 1 74 74 LYS H H 56 7.944 7.944 7.933 0.011 18492
1309 1 4 . 1 1 75 75 LEU N N 57 119.352 119.352 116.300 3.052 18492
1310 1 4 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.267 -0.213 18492
1311 1 4 . 1 1 75 75 LEU C C 57 179.386 179.386 179.072 0.314 18492
1312 1 4 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.504 0.142 18492
1313 1 4 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.256 0.523 18492
1314 1 4 . 1 1 75 75 LEU H H 57 7.870 7.870 7.589 0.281 18492
1315 1 4 . 1 1 76 76 LYS N N 58 121.054 121.054 120.109 0.945 18492
1316 1 4 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.890 0.078 18492
1317 1 4 . 1 1 76 76 LYS C C 58 178.872 178.872 178.814 0.058 18492
1318 1 4 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.277 0.029 18492
1319 1 4 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.170 0.083 18492
1320 1 4 . 1 1 76 76 LYS H H 58 7.943 7.943 8.070 -0.127 18492
1321 1 4 . 1 1 77 77 MET N N 59 117.676 117.676 119.183 -1.507 18492
1322 1 4 . 1 1 77 77 MET HA H 59 4.164 4.164 4.234 -0.070 18492
1323 1 4 . 1 1 77 77 MET C C 59 179.131 179.131 178.151 0.980 18492
1324 1 4 . 1 1 77 77 MET CA C 59 57.271 57.271 57.225 0.046 18492
1325 1 4 . 1 1 77 77 MET CB C 59 31.676 31.676 32.060 -0.384 18492
1326 1 4 . 1 1 77 77 MET H H 59 7.910 7.910 7.633 0.277 18492
1327 1 4 . 1 1 78 78 GLU N N 60 120.695 120.695 118.441 2.254 18492
1328 1 4 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.922 0.078 18492
1329 1 4 . 1 1 78 78 GLU C C 60 178.407 178.407 178.976 -0.569 18492
1330 1 4 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.552 -0.274 18492
1331 1 4 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.361 0.108 18492
1332 1 4 . 1 1 78 78 GLU H H 60 8.005 8.005 7.900 0.105 18492
1333 1 4 . 1 1 79 79 LYS N N 61 119.944 119.944 119.088 0.856 18492
1334 1 4 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.060 0.014 18492
1335 1 4 . 1 1 79 79 LYS C C 61 179.350 179.350 178.951 0.399 18492
1336 1 4 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.236 -0.185 18492
1337 1 4 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.344 -0.103 18492
1338 1 4 . 1 1 79 79 LYS H H 61 7.993 7.993 7.759 0.234 18492
1339 1 4 . 1 1 80 80 GLU N N 62 119.421 119.421 119.385 0.036 18492
1340 1 4 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.055 -0.003 18492
1341 1 4 . 1 1 80 80 GLU C C 62 178.434 178.434 178.732 -0.298 18492
1342 1 4 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.895 -0.317 18492
1343 1 4 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.218 0.293 18492
1344 1 4 . 1 1 80 80 GLU H H 62 8.011 8.011 8.096 -0.085 18492
1345 1 4 . 1 1 81 81 ARG N N 63 120.087 120.087 120.553 -0.466 18492
1346 1 4 . 1 1 81 81 ARG HA H 63 4.063 4.063 3.962 0.101 18492
1347 1 4 . 1 1 81 81 ARG C C 63 178.289 178.289 177.992 0.297 18492
1348 1 4 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.055 -0.326 18492
1349 1 4 . 1 1 81 81 ARG CB C 63 29.984 29.984 29.990 -0.006 18492
1350 1 4 . 1 1 81 81 ARG H H 63 8.038 8.038 8.008 0.030 18492
1351 1 4 . 1 1 82 82 ASN N N 64 117.835 117.835 117.834 0.001 18492
1352 1 4 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.471 0.055 18492
1353 1 4 . 1 1 82 82 ASN C C 64 176.397 176.397 177.521 -1.124 18492
1354 1 4 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.039 -1.364 18492
1355 1 4 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.196 0.299 18492
1356 1 4 . 1 1 82 82 ASN H H 64 8.176 8.176 7.957 0.219 18492
1357 1 4 . 1 1 83 83 ALA N N 65 122.797 122.797 121.992 0.805 18492
1358 1 4 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.245 -0.041 18492
1359 1 4 . 1 1 83 83 ALA C C 65 178.776 178.776 179.856 -1.080 18492
1360 1 4 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.771 -1.013 18492
1361 1 4 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.740 0.029 18492
1362 1 4 . 1 1 83 83 ALA H H 65 7.883 7.883 7.894 -0.011 18492
1363 1 4 . 1 1 84 84 ARG N N 66 118.042 118.042 116.692 1.350 18492
1364 1 4 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.114 0.099 18492
1365 1 4 . 1 1 84 84 ARG C C 66 177.040 177.040 178.060 -1.020 18492
1366 1 4 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.305 -1.235 18492
1367 1 4 . 1 1 84 84 ARG CB C 66 30.385 30.385 29.942 0.443 18492
1368 1 4 . 1 1 84 84 ARG H H 66 7.855 7.855 7.901 -0.046 18492
1369 1 4 . 1 1 85 85 ARG N N 67 120.431 120.431 118.584 1.847 18492
1370 1 4 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.245 -0.031 18492
1371 1 4 . 1 1 85 85 ARG C C 67 176.547 176.547 177.481 -0.934 18492
1372 1 4 . 1 1 85 85 ARG CA C 67 56.886 56.886 56.334 0.552 18492
1373 1 4 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.988 0.337 18492
1374 1 4 . 1 1 85 85 ARG H H 67 7.873 7.873 7.970 -0.097 18492
1375 1 4 . 1 1 86 86 LYS N N 68 121.690 121.690 121.866 -0.176 18492
1376 1 4 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.374 -0.109 18492
1377 1 4 . 1 1 86 86 LYS C C 68 176.561 176.561 175.596 0.965 18492
1378 1 4 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.543 1.383 18492
1379 1 4 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.212 1.674 18492
1380 1 4 . 1 1 86 86 LYS H H 68 8.040 8.040 7.464 0.576 18492
1381 1 4 . 1 1 87 87 LYS N N 69 122.486 122.486 124.184 -1.698 18492
1382 1 4 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.219 0.050 18492
1383 1 4 . 1 1 87 87 LYS C C 69 176.383 176.383 176.663 -0.280 18492
1384 1 4 . 1 1 87 87 LYS CA C 69 56.500 56.500 57.084 -0.584 18492
1385 1 4 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.540 1.560 18492
1386 1 4 . 1 1 87 87 LYS H H 69 8.116 8.116 8.298 -0.182 18492
1387 1 4 . 1 1 88 88 LYS N N 70 123.589 123.589 121.480 2.109 18492
1388 1 4 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.406 -0.159 18492
1389 1 4 . 1 1 88 88 LYS C C 70 175.618 175.618 176.545 -0.927 18492
1390 1 4 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.336 0.357 18492
1391 1 4 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.470 -0.381 18492
1392 1 4 . 1 1 88 88 LYS H H 70 8.247 8.247 8.591 -0.344 18492
1393 1 5 . 1 1 20 20 THR N N 2 114.872 114.872 118.585 -3.713 18492
1394 1 5 . 1 1 20 20 THR HA H 2 4.639 4.639 4.554 0.085 18492
1395 1 5 . 1 1 20 20 THR C C 2 175.858 175.858 175.448 0.410 18492
1396 1 5 . 1 1 20 20 THR CA C 2 59.992 59.992 61.718 -1.726 18492
1397 1 5 . 1 1 20 20 THR CB C 2 71.359 71.359 70.548 0.811 18492
1398 1 5 . 1 1 20 20 THR H H 2 9.423 9.423 8.206 1.217 18492
1399 1 5 . 1 1 21 21 GLU N N 3 121.694 121.694 122.268 -0.574 18492
1400 1 5 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.922 0.097 18492
1401 1 5 . 1 1 21 21 GLU C C 3 179.808 179.808 178.443 1.365 18492
1402 1 5 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.604 0.638 18492
1403 1 5 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.311 0.022 18492
1404 1 5 . 1 1 21 21 GLU H H 3 9.120 9.120 8.974 0.146 18492
1405 1 5 . 1 1 22 22 GLU N N 4 120.617 120.617 118.760 1.857 18492
1406 1 5 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.038 0.064 18492
1407 1 5 . 1 1 22 22 GLU C C 4 179.604 179.604 178.661 0.943 18492
1408 1 5 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.353 0.550 18492
1409 1 5 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.909 0.260 18492
1410 1 5 . 1 1 22 22 GLU H H 4 8.735 8.735 8.734 0.001 18492
1411 1 5 . 1 1 23 23 GLU N N 5 120.811 120.811 118.262 2.549 18492
1412 1 5 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.174 -0.100 18492
1413 1 5 . 1 1 23 23 GLU C C 5 179.511 179.511 178.973 0.538 18492
1414 1 5 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.305 1.162 18492
1415 1 5 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.684 2.729 18492
1416 1 5 . 1 1 23 23 GLU H H 5 7.887 7.887 7.775 0.112 18492
1417 1 5 . 1 1 24 24 MET N N 6 117.260 117.260 120.318 -3.058 18492
1418 1 5 . 1 1 24 24 MET HA H 6 3.665 3.665 4.413 -0.748 18492
1419 1 5 . 1 1 24 24 MET C C 6 178.480 178.480 178.388 0.092 18492
1420 1 5 . 1 1 24 24 MET CA C 6 60.134 60.134 58.804 1.330 18492
1421 1 5 . 1 1 24 24 MET CB C 6 33.059 33.059 32.662 0.397 18492
1422 1 5 . 1 1 24 24 MET H H 6 8.607 8.607 8.641 -0.034 18492
1423 1 5 . 1 1 25 25 GLY N N 7 106.564 106.564 106.160 0.404 18492
1424 1 5 . 1 1 25 25 GLY C C 7 177.376 177.376 175.906 1.470 18492
1425 1 5 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.241 0.091 18492
1426 1 5 . 1 1 25 25 GLY H H 7 8.494 8.494 8.037 0.457 18492
1427 1 5 . 1 1 26 26 THR N N 8 121.127 121.127 118.245 2.882 18492
1428 1 5 . 1 1 26 26 THR HA H 8 3.956 3.956 4.111 -0.155 18492
1429 1 5 . 1 1 26 26 THR C C 8 175.895 175.895 176.005 -0.110 18492
1430 1 5 . 1 1 26 26 THR CA C 8 66.737 66.737 65.729 1.008 18492
1431 1 5 . 1 1 26 26 THR CB C 8 67.623 67.623 68.397 -0.773 18492
1432 1 5 . 1 1 26 26 THR H H 8 8.242 8.242 7.845 0.397 18492
1433 1 5 . 1 1 27 27 ALA N N 9 125.226 125.226 125.177 0.049 18492
1434 1 5 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.194 -0.315 18492
1435 1 5 . 1 1 27 27 ALA C C 9 179.361 179.361 179.104 0.257 18492
1436 1 5 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.321 0.423 18492
1437 1 5 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.200 -0.511 18492
1438 1 5 . 1 1 27 27 ALA H H 9 8.605 8.605 8.110 0.495 18492
1439 1 5 . 1 1 28 28 LYS N N 10 116.449 116.449 119.532 -3.083 18492
1440 1 5 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.168 -0.274 18492
1441 1 5 . 1 1 28 28 LYS C C 10 179.264 179.264 178.764 0.500 18492
1442 1 5 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.369 1.885 18492
1443 1 5 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.421 -0.229 18492
1444 1 5 . 1 1 28 28 LYS H H 10 8.149 8.149 8.045 0.104 18492
1445 1 5 . 1 1 29 29 LYS N N 11 121.248 121.248 119.045 2.203 18492
1446 1 5 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.071 -0.044 18492
1447 1 5 . 1 1 29 29 LYS C C 11 179.168 179.168 178.715 0.453 18492
1448 1 5 . 1 1 29 29 LYS CA C 11 59.611 59.611 59.059 0.552 18492
1449 1 5 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.896 0.213 18492
1450 1 5 . 1 1 29 29 LYS H H 11 7.747 7.747 7.993 -0.246 18492
1451 1 5 . 1 1 30 30 GLY N N 12 108.727 108.727 107.339 1.388 18492
1452 1 5 . 1 1 30 30 GLY C C 12 174.800 174.800 176.286 -1.486 18492
1453 1 5 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.224 1.795 18492
1454 1 5 . 1 1 30 30 GLY H H 12 8.838 8.838 7.934 0.904 18492
1455 1 5 . 1 1 31 31 LEU N N 13 124.189 124.189 122.638 1.551 18492
1456 1 5 . 1 1 31 31 LEU HA H 13 4.089 4.089 3.898 0.191 18492
1457 1 5 . 1 1 31 31 LEU C C 13 179.023 179.023 178.927 0.096 18492
1458 1 5 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.450 0.029 18492
1459 1 5 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.833 0.722 18492
1460 1 5 . 1 1 31 31 LEU H H 13 8.520 8.520 8.211 0.309 18492
1461 1 5 . 1 1 32 32 LEU N N 14 119.512 119.512 119.820 -0.308 18492
1462 1 5 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.728 0.230 18492
1463 1 5 . 1 1 32 32 LEU C C 14 178.844 178.844 178.297 0.547 18492
1464 1 5 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.706 0.229 18492
1465 1 5 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.952 -0.287 18492
1466 1 5 . 1 1 32 32 LEU H H 14 7.322 7.322 7.718 -0.396 18492
1467 1 5 . 1 1 33 33 GLU N N 15 117.254 117.254 116.601 0.653 18492
1468 1 5 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.758 0.244 18492
1469 1 5 . 1 1 33 33 GLU C C 15 178.636 178.636 179.067 -0.431 18492
1470 1 5 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.728 -0.051 18492
1471 1 5 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.214 1.209 18492
1472 1 5 . 1 1 33 33 GLU H H 15 7.940 7.940 7.799 0.141 18492
1473 1 5 . 1 1 34 34 HIS N N 16 113.397 113.397 114.031 -0.634 18492
1474 1 5 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.519 0.247 18492
1475 1 5 . 1 1 34 34 HIS C C 16 176.465 176.465 176.214 0.251 18492
1476 1 5 . 1 1 34 34 HIS CA C 16 55.527 55.527 56.272 -0.745 18492
1477 1 5 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.414 1.980 18492
1478 1 5 . 1 1 34 34 HIS H H 16 8.732 8.732 8.019 0.713 18492
1479 1 5 . 1 1 35 35 GLY N N 17 112.392 112.392 108.553 3.839 18492
1480 1 5 . 1 1 35 35 GLY C C 17 172.914 172.914 174.257 -1.343 18492
1481 1 5 . 1 1 35 35 GLY CA C 17 45.731 45.731 45.068 0.663 18492
1482 1 5 . 1 1 35 35 GLY H H 17 7.475 7.475 7.833 -0.358 18492
1483 1 5 . 1 1 36 36 ARG N N 18 121.605 121.605 116.683 4.922 18492
1484 1 5 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.375 -0.690 18492
1485 1 5 . 1 1 36 36 ARG C C 18 174.673 174.673 174.207 0.466 18492
1486 1 5 . 1 1 36 36 ARG CA C 18 54.676 54.676 56.897 -2.221 18492
1487 1 5 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.020 -1.250 18492
1488 1 5 . 1 1 36 36 ARG H H 18 7.805 7.805 8.024 -0.219 18492
1489 1 5 . 1 1 37 37 ASN N N 19 118.725 118.725 118.077 0.648 18492
1490 1 5 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.474 -0.014 18492
1491 1 5 . 1 1 37 37 ASN C C 19 175.272 175.272 176.152 -0.880 18492
1492 1 5 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.560 -2.207 18492
1493 1 5 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.623 -0.450 18492
1494 1 5 . 1 1 37 37 ASN H H 19 6.939 6.939 8.070 -1.131 18492
1495 1 5 . 1 1 38 38 TRP N N 20 123.054 123.054 127.378 -4.324 18492
1496 1 5 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.450 -0.038 18492
1497 1 5 . 1 1 38 38 TRP C C 20 177.950 177.950 178.013 -0.063 18492
1498 1 5 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.962 -1.159 18492
1499 1 5 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.805 1.795 18492
1500 1 5 . 1 1 38 38 TRP H H 20 7.064 7.064 8.098 -1.034 18492
1501 1 5 . 1 1 39 39 SER N N 21 112.959 112.959 114.575 -1.616 18492
1502 1 5 . 1 1 39 39 SER HA H 21 4.171 4.171 4.178 -0.007 18492
1503 1 5 . 1 1 39 39 SER C C 21 176.653 176.653 176.671 -0.018 18492
1504 1 5 . 1 1 39 39 SER CA C 21 61.632 61.632 61.856 -0.224 18492
1505 1 5 . 1 1 39 39 SER CB C 21 62.389 62.389 62.488 -0.099 18492
1506 1 5 . 1 1 39 39 SER H H 21 8.526 8.526 8.269 0.257 18492
1507 1 5 . 1 1 40 40 ALA N N 22 124.572 124.572 124.458 0.114 18492
1508 1 5 . 1 1 40 40 ALA HA H 22 3.809 3.809 3.994 -0.185 18492
1509 1 5 . 1 1 40 40 ALA C C 22 180.307 180.307 179.569 0.738 18492
1510 1 5 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.864 -0.528 18492
1511 1 5 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.042 -1.222 18492
1512 1 5 . 1 1 40 40 ALA H H 22 7.130 7.130 8.070 -0.940 18492
1513 1 5 . 1 1 41 41 ILE N N 23 118.436 118.436 118.544 -0.108 18492
1514 1 5 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.812 -0.227 18492
1515 1 5 . 1 1 41 41 ILE C C 23 177.684 177.684 177.876 -0.192 18492
1516 1 5 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.906 3.966 18492
1517 1 5 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.539 1.913 18492
1518 1 5 . 1 1 41 41 ILE H H 23 7.750 7.750 7.518 0.232 18492
1519 1 5 . 1 1 42 42 ALA N N 24 122.987 122.987 122.256 0.731 18492
1520 1 5 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.075 -0.155 18492
1521 1 5 . 1 1 42 42 ALA C C 24 180.335 180.335 179.065 1.270 18492
1522 1 5 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.524 0.578 18492
1523 1 5 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.407 -0.073 18492
1524 1 5 . 1 1 42 42 ALA H H 24 8.730 8.730 8.490 0.240 18492
1525 1 5 . 1 1 43 43 ARG N N 25 117.188 117.188 118.704 -1.516 18492
1526 1 5 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.167 -0.145 18492
1527 1 5 . 1 1 43 43 ARG C C 25 178.559 178.559 178.465 0.094 18492
1528 1 5 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.852 0.214 18492
1529 1 5 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.345 -0.391 18492
1530 1 5 . 1 1 43 43 ARG H H 25 7.511 7.511 7.677 -0.166 18492
1531 1 5 . 1 1 44 44 MET N N 26 117.388 117.388 119.399 -2.011 18492
1532 1 5 . 1 1 44 44 MET HA H 26 4.029 4.029 4.242 -0.213 18492
1533 1 5 . 1 1 44 44 MET C C 26 177.655 177.655 177.767 -0.112 18492
1534 1 5 . 1 1 44 44 MET CA C 26 58.926 58.926 58.706 0.220 18492
1535 1 5 . 1 1 44 44 MET CB C 26 34.267 34.267 33.121 1.146 18492
1536 1 5 . 1 1 44 44 MET H H 26 7.399 7.399 7.744 -0.345 18492
1537 1 5 . 1 1 45 45 VAL N N 27 119.232 119.232 113.872 5.360 18492
1538 1 5 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.203 -0.622 18492
1539 1 5 . 1 1 45 45 VAL C C 27 178.991 178.991 177.460 1.531 18492
1540 1 5 . 1 1 45 45 VAL CA C 27 65.759 65.759 63.995 1.764 18492
1541 1 5 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.393 0.012 18492
1542 1 5 . 1 1 45 45 VAL H H 27 8.526 8.526 8.298 0.228 18492
1543 1 5 . 1 1 46 46 GLY N N 28 108.996 108.996 107.993 1.003 18492
1544 1 5 . 1 1 46 46 GLY C C 28 175.739 175.739 174.960 0.779 18492
1545 1 5 . 1 1 46 46 GLY CA C 28 47.250 47.250 44.899 2.351 18492
1546 1 5 . 1 1 46 46 GLY H H 28 8.663 8.663 7.739 0.924 18492
1547 1 5 . 1 1 47 47 SER N N 29 112.827 112.827 113.813 -0.986 18492
1548 1 5 . 1 1 47 47 SER HA H 29 4.291 4.291 4.230 0.061 18492
1549 1 5 . 1 1 47 47 SER C C 29 173.701 173.701 173.941 -0.240 18492
1550 1 5 . 1 1 47 47 SER CA C 29 57.352 57.352 59.483 -2.131 18492
1551 1 5 . 1 1 47 47 SER CB C 29 62.198 62.198 62.245 -0.047 18492
1552 1 5 . 1 1 47 47 SER H H 29 7.948 7.948 7.932 0.016 18492
1553 1 5 . 1 1 48 48 LYS N N 30 119.562 119.562 119.439 0.123 18492
1554 1 5 . 1 1 48 48 LYS H H 30 6.655 6.655 8.000 -1.345 18492
1555 1 5 . 1 1 49 49 THR N N 31 111.264 111.264 116.475 -5.211 18492
1556 1 5 . 1 1 49 49 THR HA H 31 4.377 4.377 4.326 0.051 18492
1557 1 5 . 1 1 49 49 THR C C 31 176.481 176.481 176.659 -0.178 18492
1558 1 5 . 1 1 49 49 THR CA C 31 60.302 60.302 62.692 -2.390 18492
1559 1 5 . 1 1 49 49 THR CB C 31 72.012 72.012 69.183 2.829 18492
1560 1 5 . 1 1 49 49 THR H H 31 8.900 8.900 8.112 0.788 18492
1561 1 5 . 1 1 50 50 VAL N N 32 121.079 121.079 125.598 -4.519 18492
1562 1 5 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.706 -0.186 18492
1563 1 5 . 1 1 50 50 VAL C C 32 177.818 177.818 177.955 -0.137 18492
1564 1 5 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.502 2.563 18492
1565 1 5 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.815 0.015 18492
1566 1 5 . 1 1 50 50 VAL H H 32 8.697 8.697 8.483 0.214 18492
1567 1 5 . 1 1 51 51 SER N N 33 113.769 113.769 114.488 -0.719 18492
1568 1 5 . 1 1 51 51 SER HA H 33 3.995 3.995 4.104 -0.109 18492
1569 1 5 . 1 1 51 51 SER C C 33 177.346 177.346 176.137 1.209 18492
1570 1 5 . 1 1 51 51 SER CA C 33 61.640 61.640 61.186 0.454 18492
1571 1 5 . 1 1 51 51 SER CB C 33 62.431 62.431 62.641 -0.210 18492
1572 1 5 . 1 1 51 51 SER H H 33 8.334 8.334 8.172 0.162 18492
1573 1 5 . 1 1 52 52 GLN N N 34 120.084 120.084 120.918 -0.834 18492
1574 1 5 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.181 0.122 18492
1575 1 5 . 1 1 52 52 GLN C C 34 180.343 180.343 177.995 2.348 18492
1576 1 5 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.901 0.381 18492
1577 1 5 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.353 1.209 18492
1578 1 5 . 1 1 52 52 GLN H H 34 7.781 7.781 7.875 -0.094 18492
1579 1 5 . 1 1 53 53 CYS N N 35 120.950 120.950 117.772 3.178 18492
1580 1 5 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.357 0.102 18492
1581 1 5 . 1 1 53 53 CYS C C 35 175.170 175.170 177.100 -1.930 18492
1582 1 5 . 1 1 53 53 CYS CA C 35 65.582 65.582 61.236 4.346 18492
1583 1 5 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.029 0.085 18492
1584 1 5 . 1 1 53 53 CYS H H 35 8.748 8.748 7.822 0.926 18492
1585 1 5 . 1 1 54 54 LYS N N 36 120.488 120.488 120.159 0.329 18492
1586 1 5 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.392 -1.167 18492
1587 1 5 . 1 1 54 54 LYS C C 36 177.848 177.848 178.961 -1.113 18492
1588 1 5 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.807 -0.346 18492
1589 1 5 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.944 -0.010 18492
1590 1 5 . 1 1 54 54 LYS H H 36 7.790 7.790 7.463 0.327 18492
1591 1 5 . 1 1 55 55 ASN N N 37 116.085 116.085 117.750 -1.665 18492
1592 1 5 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.293 0.131 18492
1593 1 5 . 1 1 55 55 ASN C C 37 177.149 177.149 177.559 -0.410 18492
1594 1 5 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.697 0.389 18492
1595 1 5 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.054 0.415 18492
1596 1 5 . 1 1 55 55 ASN H H 37 7.988 7.988 8.030 -0.042 18492
1597 1 5 . 1 1 56 56 PHE N N 38 121.512 121.512 121.721 -0.209 18492
1598 1 5 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.865 -0.285 18492
1599 1 5 . 1 1 56 56 PHE C C 38 175.968 175.968 176.707 -0.739 18492
1600 1 5 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.897 -0.240 18492
1601 1 5 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.305 0.556 18492
1602 1 5 . 1 1 56 56 PHE H H 38 8.117 8.117 8.329 -0.212 18492
1603 1 5 . 1 1 57 57 TYR N N 39 114.465 114.465 118.738 -4.273 18492
1604 1 5 . 1 1 57 57 TYR HA H 39 3.667 3.667 4.062 -0.395 18492
1605 1 5 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.752 1.096 18492
1606 1 5 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.169 0.551 18492
1607 1 5 . 1 1 57 57 TYR H H 39 7.723 7.723 7.823 -0.100 18492
1608 1 5 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.263 -0.176 18492
1609 1 5 . 1 1 66 66 LEU C C 48 179.076 179.076 178.346 0.730 18492
1610 1 5 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.883 -0.619 18492
1611 1 5 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.456 -0.304 18492
1612 1 5 . 1 1 67 67 ASP N N 49 118.908 118.908 119.102 -0.194 18492
1613 1 5 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.300 0.397 18492
1614 1 5 . 1 1 67 67 ASP C C 49 179.483 179.483 178.698 0.785 18492
1615 1 5 . 1 1 67 67 ASP CA C 49 57.486 57.486 58.395 -0.909 18492
1616 1 5 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.351 -1.273 18492
1617 1 5 . 1 1 67 67 ASP H H 49 8.630 8.630 8.802 -0.172 18492
1618 1 5 . 1 1 68 68 GLU N N 50 122.261 122.261 120.275 1.986 18492
1619 1 5 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.199 -0.077 18492
1620 1 5 . 1 1 68 68 GLU C C 50 179.120 179.120 178.592 0.528 18492
1621 1 5 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.733 0.648 18492
1622 1 5 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.388 -0.205 18492
1623 1 5 . 1 1 68 68 GLU H H 50 7.906 7.906 7.571 0.335 18492
1624 1 5 . 1 1 69 69 ILE N N 51 120.582 120.582 120.971 -0.389 18492
1625 1 5 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.748 0.046 18492
1626 1 5 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.204 -0.475 18492
1627 1 5 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.762 -0.299 18492
1628 1 5 . 1 1 69 69 ILE H H 51 7.296 7.296 8.054 -0.758 18492
1629 1 5 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.048 0.040 18492
1630 1 5 . 1 1 70 70 LEU C C 52 180.091 180.091 178.815 1.276 18492
1631 1 5 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.914 -0.063 18492
1632 1 5 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.921 0.244 18492
1633 1 5 . 1 1 71 71 GLN N N 53 121.069 121.069 118.851 2.218 18492
1634 1 5 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.965 0.215 18492
1635 1 5 . 1 1 71 71 GLN C C 53 178.551 178.551 178.300 0.251 18492
1636 1 5 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.708 0.093 18492
1637 1 5 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.185 -0.434 18492
1638 1 5 . 1 1 71 71 GLN H H 53 8.075 8.075 7.730 0.345 18492
1639 1 5 . 1 1 72 72 GLN N N 54 119.983 119.983 117.889 2.094 18492
1640 1 5 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.990 0.030 18492
1641 1 5 . 1 1 72 72 GLN C C 54 179.376 179.376 178.527 0.849 18492
1642 1 5 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.569 0.263 18492
1643 1 5 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.180 -0.102 18492
1644 1 5 . 1 1 72 72 GLN H H 54 7.900 7.900 8.249 -0.349 18492
1645 1 5 . 1 1 73 73 HIS N N 55 120.410 120.410 119.725 0.685 18492
1646 1 5 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.212 0.102 18492
1647 1 5 . 1 1 73 73 HIS C C 55 176.222 176.222 177.246 -1.024 18492
1648 1 5 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.568 0.434 18492
1649 1 5 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.903 -1.740 18492
1650 1 5 . 1 1 73 73 HIS H H 55 8.637 8.637 7.860 0.777 18492
1651 1 5 . 1 1 74 74 LYS N N 56 120.014 120.014 119.491 0.523 18492
1652 1 5 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.877 -0.112 18492
1653 1 5 . 1 1 74 74 LYS C C 56 179.024 179.024 178.638 0.386 18492
1654 1 5 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.631 0.015 18492
1655 1 5 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.550 -0.355 18492
1656 1 5 . 1 1 74 74 LYS H H 56 7.944 7.944 7.486 0.458 18492
1657 1 5 . 1 1 75 75 LEU N N 57 119.352 119.352 116.392 2.960 18492
1658 1 5 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.493 -0.439 18492
1659 1 5 . 1 1 75 75 LEU C C 57 179.386 179.386 179.266 0.120 18492
1660 1 5 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.463 0.183 18492
1661 1 5 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.208 0.571 18492
1662 1 5 . 1 1 75 75 LEU H H 57 7.870 7.870 7.856 0.014 18492
1663 1 5 . 1 1 76 76 LYS N N 58 121.054 121.054 119.754 1.300 18492
1664 1 5 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.899 0.069 18492
1665 1 5 . 1 1 76 76 LYS C C 58 178.872 178.872 178.946 -0.074 18492
1666 1 5 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.446 -0.140 18492
1667 1 5 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.098 0.155 18492
1668 1 5 . 1 1 76 76 LYS H H 58 7.943 7.943 8.002 -0.059 18492
1669 1 5 . 1 1 77 77 MET N N 59 117.676 117.676 119.192 -1.516 18492
1670 1 5 . 1 1 77 77 MET HA H 59 4.164 4.164 4.095 0.069 18492
1671 1 5 . 1 1 77 77 MET C C 59 179.131 179.131 177.746 1.385 18492
1672 1 5 . 1 1 77 77 MET CA C 59 57.271 57.271 58.508 -1.238 18492
1673 1 5 . 1 1 77 77 MET CB C 59 31.676 31.676 32.560 -0.884 18492
1674 1 5 . 1 1 77 77 MET H H 59 7.910 7.910 7.449 0.461 18492
1675 1 5 . 1 1 78 78 GLU N N 60 120.695 120.695 120.014 0.681 18492
1676 1 5 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.856 0.144 18492
1677 1 5 . 1 1 78 78 GLU C C 60 178.407 178.407 178.602 -0.195 18492
1678 1 5 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.870 -0.592 18492
1679 1 5 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.730 -0.261 18492
1680 1 5 . 1 1 78 78 GLU H H 60 8.005 8.005 8.159 -0.154 18492
1681 1 5 . 1 1 79 79 LYS N N 61 119.944 119.944 117.671 2.273 18492
1682 1 5 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.041 0.033 18492
1683 1 5 . 1 1 79 79 LYS C C 61 179.350 179.350 179.148 0.202 18492
1684 1 5 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.179 -0.127 18492
1685 1 5 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.305 -0.064 18492
1686 1 5 . 1 1 79 79 LYS H H 61 7.993 7.993 7.913 0.080 18492
1687 1 5 . 1 1 80 80 GLU N N 62 119.421 119.421 119.187 0.234 18492
1688 1 5 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.112 -0.060 18492
1689 1 5 . 1 1 80 80 GLU C C 62 178.434 178.434 178.466 -0.032 18492
1690 1 5 . 1 1 80 80 GLU CA C 62 58.578 58.578 59.044 -0.466 18492
1691 1 5 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.006 0.504 18492
1692 1 5 . 1 1 80 80 GLU H H 62 8.011 8.011 7.768 0.243 18492
1693 1 5 . 1 1 81 81 ARG N N 63 120.087 120.087 119.916 0.171 18492
1694 1 5 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.032 0.031 18492
1695 1 5 . 1 1 81 81 ARG C C 63 178.289 178.289 178.491 -0.202 18492
1696 1 5 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.093 -0.364 18492
1697 1 5 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.225 -0.241 18492
1698 1 5 . 1 1 81 81 ARG H H 63 8.038 8.038 8.017 0.021 18492
1699 1 5 . 1 1 82 82 ASN N N 64 117.835 117.835 117.893 -0.058 18492
1700 1 5 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.501 0.025 18492
1701 1 5 . 1 1 82 82 ASN C C 64 176.397 176.397 177.187 -0.790 18492
1702 1 5 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.231 -1.556 18492
1703 1 5 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.803 -0.308 18492
1704 1 5 . 1 1 82 82 ASN H H 64 8.176 8.176 7.804 0.372 18492
1705 1 5 . 1 1 83 83 ALA N N 65 122.797 122.797 121.751 1.046 18492
1706 1 5 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.152 0.052 18492
1707 1 5 . 1 1 83 83 ALA C C 65 178.776 178.776 178.703 0.073 18492
1708 1 5 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.460 -0.702 18492
1709 1 5 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.627 0.142 18492
1710 1 5 . 1 1 83 83 ALA H H 65 7.883 7.883 7.791 0.092 18492
1711 1 5 . 1 1 84 84 ARG N N 66 118.042 118.042 114.973 3.069 18492
1712 1 5 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.158 0.055 18492
1713 1 5 . 1 1 84 84 ARG C C 66 177.040 177.040 177.519 -0.479 18492
1714 1 5 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.287 -1.217 18492
1715 1 5 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.216 0.169 18492
1716 1 5 . 1 1 84 84 ARG H H 66 7.855 7.855 7.932 -0.077 18492
1717 1 5 . 1 1 85 85 ARG N N 67 120.431 120.431 118.107 2.324 18492
1718 1 5 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.377 -0.163 18492
1719 1 5 . 1 1 85 85 ARG C C 67 176.547 176.547 176.901 -0.354 18492
1720 1 5 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.118 1.768 18492
1721 1 5 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.223 0.102 18492
1722 1 5 . 1 1 85 85 ARG H H 67 7.873 7.873 7.577 0.296 18492
1723 1 5 . 1 1 86 86 LYS N N 68 121.690 121.690 121.792 -0.102 18492
1724 1 5 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.315 -0.050 18492
1725 1 5 . 1 1 86 86 LYS C C 68 176.561 176.561 175.941 0.620 18492
1726 1 5 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.242 0.684 18492
1727 1 5 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.434 1.452 18492
1728 1 5 . 1 1 86 86 LYS H H 68 8.040 8.040 7.471 0.569 18492
1729 1 5 . 1 1 87 87 LYS N N 69 122.486 122.486 124.499 -2.013 18492
1730 1 5 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.003 0.266 18492
1731 1 5 . 1 1 87 87 LYS C C 69 176.383 176.383 175.661 0.722 18492
1732 1 5 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.828 -0.328 18492
1733 1 5 . 1 1 87 87 LYS CB C 69 33.100 33.100 30.842 2.258 18492
1734 1 5 . 1 1 87 87 LYS H H 69 8.116 8.116 8.476 -0.360 18492
1735 1 5 . 1 1 88 88 LYS N N 70 123.589 123.589 120.108 3.481 18492
1736 1 5 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.346 -0.099 18492
1737 1 5 . 1 1 88 88 LYS C C 70 175.618 175.618 176.077 -0.459 18492
1738 1 5 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.618 0.075 18492
1739 1 5 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.375 -0.286 18492
1740 1 5 . 1 1 88 88 LYS H H 70 8.247 8.247 8.204 0.043 18492
1741 1 6 . 1 1 20 20 THR N N 2 114.872 114.872 121.298 -6.426 18492
1742 1 6 . 1 1 20 20 THR HA H 2 4.639 4.639 4.420 0.219 18492
1743 1 6 . 1 1 20 20 THR C C 2 175.858 175.858 175.843 0.015 18492
1744 1 6 . 1 1 20 20 THR CA C 2 59.992 59.992 63.089 -3.097 18492
1745 1 6 . 1 1 20 20 THR CB C 2 71.359 71.359 69.916 1.443 18492
1746 1 6 . 1 1 20 20 THR H H 2 9.423 9.423 8.520 0.903 18492
1747 1 6 . 1 1 21 21 GLU N N 3 121.694 121.694 122.507 -0.813 18492
1748 1 6 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.960 0.059 18492
1749 1 6 . 1 1 21 21 GLU C C 3 179.808 179.808 178.648 1.160 18492
1750 1 6 . 1 1 21 21 GLU CA C 3 60.242 60.242 60.117 0.125 18492
1751 1 6 . 1 1 21 21 GLU CB C 3 29.333 29.333 28.996 0.337 18492
1752 1 6 . 1 1 21 21 GLU H H 3 9.120 9.120 8.949 0.171 18492
1753 1 6 . 1 1 22 22 GLU N N 4 120.617 120.617 118.251 2.366 18492
1754 1 6 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.137 -0.035 18492
1755 1 6 . 1 1 22 22 GLU C C 4 179.604 179.604 179.223 0.381 18492
1756 1 6 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.270 0.633 18492
1757 1 6 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.818 0.351 18492
1758 1 6 . 1 1 22 22 GLU H H 4 8.735 8.735 8.966 -0.231 18492
1759 1 6 . 1 1 23 23 GLU N N 5 120.811 120.811 118.527 2.284 18492
1760 1 6 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.304 -0.230 18492
1761 1 6 . 1 1 23 23 GLU C C 5 179.511 179.511 178.899 0.612 18492
1762 1 6 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.144 1.323 18492
1763 1 6 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.013 2.400 18492
1764 1 6 . 1 1 23 23 GLU H H 5 7.887 7.887 7.904 -0.017 18492
1765 1 6 . 1 1 24 24 MET N N 6 117.260 117.260 121.860 -4.600 18492
1766 1 6 . 1 1 24 24 MET HA H 6 3.665 3.665 4.288 -0.623 18492
1767 1 6 . 1 1 24 24 MET C C 6 178.480 178.480 178.344 0.136 18492
1768 1 6 . 1 1 24 24 MET CA C 6 60.134 60.134 58.192 1.942 18492
1769 1 6 . 1 1 24 24 MET CB C 6 33.059 33.059 32.160 0.899 18492
1770 1 6 . 1 1 24 24 MET H H 6 8.607 8.607 8.665 -0.058 18492
1771 1 6 . 1 1 25 25 GLY N N 7 106.564 106.564 104.438 2.126 18492
1772 1 6 . 1 1 25 25 GLY C C 7 177.376 177.376 175.884 1.492 18492
1773 1 6 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.437 -0.105 18492
1774 1 6 . 1 1 25 25 GLY H H 7 8.494 8.494 8.073 0.421 18492
1775 1 6 . 1 1 26 26 THR N N 8 121.127 121.127 118.684 2.443 18492
1776 1 6 . 1 1 26 26 THR HA H 8 3.956 3.956 4.007 -0.051 18492
1777 1 6 . 1 1 26 26 THR C C 8 175.895 175.895 175.983 -0.088 18492
1778 1 6 . 1 1 26 26 THR CA C 8 66.737 66.737 66.730 0.007 18492
1779 1 6 . 1 1 26 26 THR CB C 8 67.623 67.623 68.453 -0.830 18492
1780 1 6 . 1 1 26 26 THR H H 8 8.242 8.242 7.455 0.787 18492
1781 1 6 . 1 1 27 27 ALA N N 9 125.226 125.226 124.414 0.812 18492
1782 1 6 . 1 1 27 27 ALA HA H 9 3.879 3.879 3.930 -0.051 18492
1783 1 6 . 1 1 27 27 ALA C C 9 179.361 179.361 178.649 0.712 18492
1784 1 6 . 1 1 27 27 ALA CA C 9 55.744 55.744 54.730 1.014 18492
1785 1 6 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.622 0.067 18492
1786 1 6 . 1 1 27 27 ALA H H 9 8.605 8.605 8.373 0.232 18492
1787 1 6 . 1 1 28 28 LYS N N 10 116.449 116.449 118.689 -2.240 18492
1788 1 6 . 1 1 28 28 LYS HA H 10 3.894 3.894 3.948 -0.054 18492
1789 1 6 . 1 1 28 28 LYS C C 10 179.264 179.264 178.481 0.783 18492
1790 1 6 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.094 2.160 18492
1791 1 6 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.224 -0.032 18492
1792 1 6 . 1 1 28 28 LYS H H 10 8.149 8.149 8.117 0.032 18492
1793 1 6 . 1 1 29 29 LYS N N 11 121.248 121.248 118.910 2.338 18492
1794 1 6 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.038 -0.011 18492
1795 1 6 . 1 1 29 29 LYS C C 11 179.168 179.168 178.893 0.275 18492
1796 1 6 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.722 0.889 18492
1797 1 6 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.836 0.273 18492
1798 1 6 . 1 1 29 29 LYS H H 11 7.747 7.747 7.853 -0.106 18492
1799 1 6 . 1 1 30 30 GLY N N 12 108.727 108.727 107.275 1.452 18492
1800 1 6 . 1 1 30 30 GLY C C 12 174.800 174.800 176.406 -1.606 18492
1801 1 6 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.102 1.917 18492
1802 1 6 . 1 1 30 30 GLY H H 12 8.838 8.838 7.803 1.035 18492
1803 1 6 . 1 1 31 31 LEU N N 13 124.189 124.189 122.260 1.929 18492
1804 1 6 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.419 -0.330 18492
1805 1 6 . 1 1 31 31 LEU C C 13 179.023 179.023 179.302 -0.279 18492
1806 1 6 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.651 0.828 18492
1807 1 6 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.824 0.731 18492
1808 1 6 . 1 1 31 31 LEU H H 13 8.520 8.520 8.053 0.467 18492
1809 1 6 . 1 1 32 32 LEU N N 14 119.512 119.512 118.993 0.519 18492
1810 1 6 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.993 -0.035 18492
1811 1 6 . 1 1 32 32 LEU C C 14 178.844 178.844 177.500 1.344 18492
1812 1 6 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.447 0.488 18492
1813 1 6 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.889 -0.224 18492
1814 1 6 . 1 1 32 32 LEU H H 14 7.322 7.322 7.834 -0.512 18492
1815 1 6 . 1 1 33 33 GLU N N 15 117.254 117.254 117.017 0.237 18492
1816 1 6 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.808 0.194 18492
1817 1 6 . 1 1 33 33 GLU C C 15 178.636 178.636 177.566 1.070 18492
1818 1 6 . 1 1 33 33 GLU CA C 15 58.677 58.677 57.783 0.894 18492
1819 1 6 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.336 0.087 18492
1820 1 6 . 1 1 33 33 GLU H H 15 7.940 7.940 7.704 0.236 18492
1821 1 6 . 1 1 34 34 HIS N N 16 113.397 113.397 115.845 -2.448 18492
1822 1 6 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.474 0.292 18492
1823 1 6 . 1 1 34 34 HIS C C 16 176.465 176.465 176.451 0.014 18492
1824 1 6 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.569 -2.042 18492
1825 1 6 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.101 1.293 18492
1826 1 6 . 1 1 34 34 HIS H H 16 8.732 8.732 8.076 0.656 18492
1827 1 6 . 1 1 35 35 GLY N N 17 112.392 112.392 107.802 4.590 18492
1828 1 6 . 1 1 35 35 GLY C C 17 172.914 172.914 174.048 -1.134 18492
1829 1 6 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.545 1.186 18492
1830 1 6 . 1 1 35 35 GLY H H 17 7.475 7.475 7.898 -0.423 18492
1831 1 6 . 1 1 36 36 ARG N N 18 121.605 121.605 121.887 -0.282 18492
1832 1 6 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.593 -0.908 18492
1833 1 6 . 1 1 36 36 ARG C C 18 174.673 174.673 174.847 -0.174 18492
1834 1 6 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.065 -0.389 18492
1835 1 6 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.274 -1.504 18492
1836 1 6 . 1 1 36 36 ARG H H 18 7.805 7.805 8.312 -0.507 18492
1837 1 6 . 1 1 37 37 ASN N N 19 118.725 118.725 120.100 -1.375 18492
1838 1 6 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.397 0.063 18492
1839 1 6 . 1 1 37 37 ASN C C 19 175.272 175.272 175.654 -0.382 18492
1840 1 6 . 1 1 37 37 ASN CA C 19 50.354 50.354 53.175 -2.821 18492
1841 1 6 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.163 0.011 18492
1842 1 6 . 1 1 37 37 ASN H H 19 6.939 6.939 7.847 -0.908 18492
1843 1 6 . 1 1 38 38 TRP N N 20 123.054 123.054 123.941 -0.887 18492
1844 1 6 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.388 0.024 18492
1845 1 6 . 1 1 38 38 TRP C C 20 177.950 177.950 178.092 -0.142 18492
1846 1 6 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.009 -1.207 18492
1847 1 6 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.999 1.601 18492
1848 1 6 . 1 1 38 38 TRP H H 20 7.064 7.064 7.647 -0.583 18492
1849 1 6 . 1 1 39 39 SER N N 21 112.959 112.959 114.613 -1.654 18492
1850 1 6 . 1 1 39 39 SER HA H 21 4.171 4.171 4.236 -0.065 18492
1851 1 6 . 1 1 39 39 SER C C 21 176.653 176.653 175.949 0.704 18492
1852 1 6 . 1 1 39 39 SER CA C 21 61.632 61.632 61.053 0.579 18492
1853 1 6 . 1 1 39 39 SER CB C 21 62.389 62.389 62.691 -0.302 18492
1854 1 6 . 1 1 39 39 SER H H 21 8.526 8.526 8.231 0.295 18492
1855 1 6 . 1 1 40 40 ALA N N 22 124.572 124.572 124.265 0.307 18492
1856 1 6 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.118 -0.309 18492
1857 1 6 . 1 1 40 40 ALA C C 22 180.307 180.307 179.680 0.627 18492
1858 1 6 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.737 -0.401 18492
1859 1 6 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.269 -1.449 18492
1860 1 6 . 1 1 40 40 ALA H H 22 7.130 7.130 7.552 -0.422 18492
1861 1 6 . 1 1 41 41 ILE N N 23 118.436 118.436 118.758 -0.322 18492
1862 1 6 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.722 -0.137 18492
1863 1 6 . 1 1 41 41 ILE C C 23 177.684 177.684 177.766 -0.082 18492
1864 1 6 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.486 3.385 18492
1865 1 6 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.644 1.808 18492
1866 1 6 . 1 1 41 41 ILE H H 23 7.750 7.750 7.936 -0.186 18492
1867 1 6 . 1 1 42 42 ALA N N 24 122.987 122.987 121.169 1.818 18492
1868 1 6 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.129 -0.209 18492
1869 1 6 . 1 1 42 42 ALA C C 24 180.335 180.335 178.857 1.478 18492
1870 1 6 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.106 0.996 18492
1871 1 6 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.512 -0.178 18492
1872 1 6 . 1 1 42 42 ALA H H 24 8.730 8.730 8.233 0.497 18492
1873 1 6 . 1 1 43 43 ARG N N 25 117.188 117.188 118.380 -1.192 18492
1874 1 6 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.183 -0.161 18492
1875 1 6 . 1 1 43 43 ARG C C 25 178.559 178.559 178.484 0.075 18492
1876 1 6 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.807 0.259 18492
1877 1 6 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.318 -0.364 18492
1878 1 6 . 1 1 43 43 ARG H H 25 7.511 7.511 7.650 -0.139 18492
1879 1 6 . 1 1 44 44 MET N N 26 117.388 117.388 119.411 -2.023 18492
1880 1 6 . 1 1 44 44 MET HA H 26 4.029 4.029 4.259 -0.230 18492
1881 1 6 . 1 1 44 44 MET C C 26 177.655 177.655 177.738 -0.083 18492
1882 1 6 . 1 1 44 44 MET CA C 26 58.926 58.926 58.768 0.158 18492
1883 1 6 . 1 1 44 44 MET CB C 26 34.267 34.267 33.159 1.108 18492
1884 1 6 . 1 1 44 44 MET H H 26 7.399 7.399 7.588 -0.189 18492
1885 1 6 . 1 1 45 45 VAL N N 27 119.232 119.232 114.152 5.080 18492
1886 1 6 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.240 -0.659 18492
1887 1 6 . 1 1 45 45 VAL C C 27 178.991 178.991 177.390 1.601 18492
1888 1 6 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.278 1.481 18492
1889 1 6 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.453 -0.048 18492
1890 1 6 . 1 1 45 45 VAL H H 27 8.526 8.526 8.422 0.104 18492
1891 1 6 . 1 1 46 46 GLY N N 28 108.996 108.996 107.910 1.086 18492
1892 1 6 . 1 1 46 46 GLY C C 28 175.739 175.739 175.153 0.586 18492
1893 1 6 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.422 1.828 18492
1894 1 6 . 1 1 46 46 GLY H H 28 8.663 8.663 8.013 0.650 18492
1895 1 6 . 1 1 47 47 SER N N 29 112.827 112.827 112.615 0.212 18492
1896 1 6 . 1 1 47 47 SER HA H 29 4.291 4.291 4.259 0.032 18492
1897 1 6 . 1 1 47 47 SER C C 29 173.701 173.701 174.585 -0.884 18492
1898 1 6 . 1 1 47 47 SER CA C 29 57.352 57.352 59.755 -2.402 18492
1899 1 6 . 1 1 47 47 SER CB C 29 62.198 62.198 62.648 -0.450 18492
1900 1 6 . 1 1 47 47 SER H H 29 7.948 7.948 7.942 0.006 18492
1901 1 6 . 1 1 48 48 LYS N N 30 119.562 119.562 118.304 1.258 18492
1902 1 6 . 1 1 48 48 LYS H H 30 6.655 6.655 7.645 -0.990 18492
1903 1 6 . 1 1 49 49 THR N N 31 111.264 111.264 116.773 -5.509 18492
1904 1 6 . 1 1 49 49 THR HA H 31 4.377 4.377 4.607 -0.230 18492
1905 1 6 . 1 1 49 49 THR C C 31 176.481 176.481 174.712 1.769 18492
1906 1 6 . 1 1 49 49 THR CA C 31 60.302 60.302 61.063 -0.762 18492
1907 1 6 . 1 1 49 49 THR CB C 31 72.012 72.012 71.056 0.956 18492
1908 1 6 . 1 1 49 49 THR H H 31 8.900 8.900 7.869 1.031 18492
1909 1 6 . 1 1 50 50 VAL N N 32 121.079 121.079 126.006 -4.927 18492
1910 1 6 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.796 -0.276 18492
1911 1 6 . 1 1 50 50 VAL C C 32 177.818 177.818 177.716 0.102 18492
1912 1 6 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.756 2.309 18492
1913 1 6 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.903 -0.073 18492
1914 1 6 . 1 1 50 50 VAL H H 32 8.697 8.697 8.813 -0.116 18492
1915 1 6 . 1 1 51 51 SER N N 33 113.769 113.769 113.835 -0.066 18492
1916 1 6 . 1 1 51 51 SER HA H 33 3.995 3.995 4.054 -0.059 18492
1917 1 6 . 1 1 51 51 SER C C 33 177.346 177.346 176.377 0.969 18492
1918 1 6 . 1 1 51 51 SER CA C 33 61.640 61.640 61.288 0.352 18492
1919 1 6 . 1 1 51 51 SER CB C 33 62.431 62.431 62.484 -0.053 18492
1920 1 6 . 1 1 51 51 SER H H 33 8.334 8.334 8.435 -0.102 18492
1921 1 6 . 1 1 52 52 GLN N N 34 120.084 120.084 120.986 -0.902 18492
1922 1 6 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.246 0.057 18492
1923 1 6 . 1 1 52 52 GLN C C 34 180.343 180.343 178.169 2.174 18492
1924 1 6 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.102 0.180 18492
1925 1 6 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.748 0.814 18492
1926 1 6 . 1 1 52 52 GLN H H 34 7.781 7.781 7.695 0.086 18492
1927 1 6 . 1 1 53 53 CYS N N 35 120.950 120.950 117.501 3.449 18492
1928 1 6 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.426 0.033 18492
1929 1 6 . 1 1 53 53 CYS C C 35 175.170 175.170 176.943 -1.773 18492
1930 1 6 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.557 5.024 18492
1931 1 6 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.950 0.164 18492
1932 1 6 . 1 1 53 53 CYS H H 35 8.748 8.748 8.012 0.736 18492
1933 1 6 . 1 1 54 54 LYS N N 36 120.488 120.488 120.165 0.323 18492
1934 1 6 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.353 -1.128 18492
1935 1 6 . 1 1 54 54 LYS C C 36 177.848 177.848 178.847 -0.999 18492
1936 1 6 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.607 -0.146 18492
1937 1 6 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.958 -0.024 18492
1938 1 6 . 1 1 54 54 LYS H H 36 7.790 7.790 7.562 0.228 18492
1939 1 6 . 1 1 55 55 ASN N N 37 116.085 116.085 117.867 -1.782 18492
1940 1 6 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.684 -0.260 18492
1941 1 6 . 1 1 55 55 ASN C C 37 177.149 177.149 177.310 -0.161 18492
1942 1 6 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.660 0.426 18492
1943 1 6 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.165 0.304 18492
1944 1 6 . 1 1 55 55 ASN H H 37 7.988 7.988 8.062 -0.074 18492
1945 1 6 . 1 1 56 56 PHE N N 38 121.512 121.512 121.682 -0.170 18492
1946 1 6 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.096 -0.516 18492
1947 1 6 . 1 1 56 56 PHE C C 38 175.968 175.968 177.112 -1.144 18492
1948 1 6 . 1 1 56 56 PHE CA C 38 60.657 60.657 62.056 -1.399 18492
1949 1 6 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.764 0.097 18492
1950 1 6 . 1 1 56 56 PHE H H 38 8.117 8.117 7.969 0.148 18492
1951 1 6 . 1 1 57 57 TYR N N 39 114.465 114.465 117.786 -3.321 18492
1952 1 6 . 1 1 57 57 TYR HA H 39 3.667 3.667 4.106 -0.439 18492
1953 1 6 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.090 0.758 18492
1954 1 6 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.487 0.233 18492
1955 1 6 . 1 1 57 57 TYR H H 39 7.723 7.723 7.769 -0.046 18492
1956 1 6 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.085 0.002 18492
1957 1 6 . 1 1 66 66 LEU C C 48 179.076 179.076 178.104 0.972 18492
1958 1 6 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.649 -0.385 18492
1959 1 6 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.817 -0.665 18492
1960 1 6 . 1 1 67 67 ASP N N 49 118.908 118.908 118.643 0.265 18492
1961 1 6 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.409 0.288 18492
1962 1 6 . 1 1 67 67 ASP C C 49 179.483 179.483 178.630 0.853 18492
1963 1 6 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.560 -0.074 18492
1964 1 6 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.824 -1.746 18492
1965 1 6 . 1 1 67 67 ASP H H 49 8.630 8.630 8.593 0.037 18492
1966 1 6 . 1 1 68 68 GLU N N 50 122.261 122.261 119.957 2.304 18492
1967 1 6 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.136 -0.014 18492
1968 1 6 . 1 1 68 68 GLU C C 50 179.120 179.120 178.768 0.352 18492
1969 1 6 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.061 0.320 18492
1970 1 6 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.662 -0.479 18492
1971 1 6 . 1 1 68 68 GLU H H 50 7.906 7.906 7.798 0.108 18492
1972 1 6 . 1 1 69 69 ILE N N 51 120.582 120.582 120.526 0.056 18492
1973 1 6 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.701 0.093 18492
1974 1 6 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.481 -0.752 18492
1975 1 6 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.861 -0.398 18492
1976 1 6 . 1 1 69 69 ILE H H 51 7.296 7.296 7.378 -0.082 18492
1977 1 6 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.234 -0.146 18492
1978 1 6 . 1 1 70 70 LEU C C 52 180.091 180.091 179.508 0.583 18492
1979 1 6 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.864 0.987 18492
1980 1 6 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.542 0.623 18492
1981 1 6 . 1 1 71 71 GLN N N 53 121.069 121.069 119.653 1.416 18492
1982 1 6 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.018 0.162 18492
1983 1 6 . 1 1 71 71 GLN C C 53 178.551 178.551 178.262 0.289 18492
1984 1 6 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.780 0.021 18492
1985 1 6 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.156 -0.405 18492
1986 1 6 . 1 1 71 71 GLN H H 53 8.075 8.075 7.780 0.295 18492
1987 1 6 . 1 1 72 72 GLN N N 54 119.983 119.983 118.287 1.696 18492
1988 1 6 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.977 0.043 18492
1989 1 6 . 1 1 72 72 GLN C C 54 179.376 179.376 178.329 1.047 18492
1990 1 6 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.644 0.188 18492
1991 1 6 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.123 -0.046 18492
1992 1 6 . 1 1 72 72 GLN H H 54 7.900 7.900 8.287 -0.387 18492
1993 1 6 . 1 1 73 73 HIS N N 55 120.410 120.410 119.435 0.975 18492
1994 1 6 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.142 0.172 18492
1995 1 6 . 1 1 73 73 HIS C C 55 176.222 176.222 177.120 -0.898 18492
1996 1 6 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.403 0.599 18492
1997 1 6 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.190 -2.027 18492
1998 1 6 . 1 1 73 73 HIS H H 55 8.637 8.637 7.838 0.799 18492
1999 1 6 . 1 1 74 74 LYS N N 56 120.014 120.014 119.464 0.550 18492
2000 1 6 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.781 -0.016 18492
2001 1 6 . 1 1 74 74 LYS C C 56 179.024 179.024 178.943 0.081 18492
2002 1 6 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.592 0.054 18492
2003 1 6 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.432 -0.237 18492
2004 1 6 . 1 1 74 74 LYS H H 56 7.944 7.944 7.850 0.094 18492
2005 1 6 . 1 1 75 75 LEU N N 57 119.352 119.352 116.573 2.779 18492
2006 1 6 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.108 -0.054 18492
2007 1 6 . 1 1 75 75 LEU C C 57 179.386 179.386 179.014 0.372 18492
2008 1 6 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.984 -0.338 18492
2009 1 6 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.195 0.584 18492
2010 1 6 . 1 1 75 75 LEU H H 57 7.870 7.870 7.914 -0.044 18492
2011 1 6 . 1 1 76 76 LYS N N 58 121.054 121.054 120.441 0.613 18492
2012 1 6 . 1 1 76 76 LYS HA H 58 3.968 3.968 4.001 -0.033 18492
2013 1 6 . 1 1 76 76 LYS C C 58 178.872 178.872 179.181 -0.309 18492
2014 1 6 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.268 0.038 18492
2015 1 6 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.279 -0.026 18492
2016 1 6 . 1 1 76 76 LYS H H 58 7.943 7.943 7.995 -0.052 18492
2017 1 6 . 1 1 77 77 MET N N 59 117.676 117.676 117.623 0.053 18492
2018 1 6 . 1 1 77 77 MET HA H 59 4.164 4.164 4.167 -0.003 18492
2019 1 6 . 1 1 77 77 MET C C 59 179.131 179.131 178.550 0.581 18492
2020 1 6 . 1 1 77 77 MET CA C 59 57.271 57.271 57.053 0.218 18492
2021 1 6 . 1 1 77 77 MET CB C 59 31.676 31.676 31.565 0.111 18492
2022 1 6 . 1 1 77 77 MET H H 59 7.910 7.910 7.781 0.129 18492
2023 1 6 . 1 1 78 78 GLU N N 60 120.695 120.695 119.521 1.174 18492
2024 1 6 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.916 0.084 18492
2025 1 6 . 1 1 78 78 GLU C C 60 178.407 178.407 178.574 -0.167 18492
2026 1 6 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.668 -0.390 18492
2027 1 6 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.755 -0.286 18492
2028 1 6 . 1 1 78 78 GLU H H 60 8.005 8.005 8.230 -0.225 18492
2029 1 6 . 1 1 79 79 LYS N N 61 119.944 119.944 117.963 1.981 18492
2030 1 6 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.998 0.076 18492
2031 1 6 . 1 1 79 79 LYS C C 61 179.350 179.350 179.155 0.195 18492
2032 1 6 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.295 -0.244 18492
2033 1 6 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.203 0.038 18492
2034 1 6 . 1 1 79 79 LYS H H 61 7.993 7.993 7.844 0.149 18492
2035 1 6 . 1 1 80 80 GLU N N 62 119.421 119.421 119.044 0.377 18492
2036 1 6 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.107 -0.055 18492
2037 1 6 . 1 1 80 80 GLU C C 62 178.434 178.434 178.804 -0.370 18492
2038 1 6 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.703 -0.125 18492
2039 1 6 . 1 1 80 80 GLU CB C 62 29.511 29.511 28.770 0.741 18492
2040 1 6 . 1 1 80 80 GLU H H 62 8.011 8.011 7.751 0.260 18492
2041 1 6 . 1 1 81 81 ARG N N 63 120.087 120.087 120.291 -0.204 18492
2042 1 6 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.020 0.043 18492
2043 1 6 . 1 1 81 81 ARG C C 63 178.289 178.289 178.533 -0.244 18492
2044 1 6 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.264 -0.535 18492
2045 1 6 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.181 -0.197 18492
2046 1 6 . 1 1 81 81 ARG H H 63 8.038 8.038 7.761 0.277 18492
2047 1 6 . 1 1 82 82 ASN N N 64 117.835 117.835 117.782 0.053 18492
2048 1 6 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.494 0.032 18492
2049 1 6 . 1 1 82 82 ASN C C 64 176.397 176.397 177.431 -1.034 18492
2050 1 6 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.876 -1.201 18492
2051 1 6 . 1 1 82 82 ASN CB C 64 38.495 38.495 37.981 0.514 18492
2052 1 6 . 1 1 82 82 ASN H H 64 8.176 8.176 8.269 -0.093 18492
2053 1 6 . 1 1 83 83 ALA N N 65 122.797 122.797 123.002 -0.205 18492
2054 1 6 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.120 0.084 18492
2055 1 6 . 1 1 83 83 ALA C C 65 178.776 178.776 178.248 0.528 18492
2056 1 6 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.755 -0.998 18492
2057 1 6 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.802 -0.033 18492
2058 1 6 . 1 1 83 83 ALA H H 65 7.883 7.883 7.715 0.168 18492
2059 1 6 . 1 1 84 84 ARG N N 66 118.042 118.042 115.733 2.309 18492
2060 1 6 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.210 0.003 18492
2061 1 6 . 1 1 84 84 ARG C C 66 177.040 177.040 177.920 -0.880 18492
2062 1 6 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.175 -1.105 18492
2063 1 6 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.131 0.254 18492
2064 1 6 . 1 1 84 84 ARG H H 66 7.855 7.855 7.928 -0.073 18492
2065 1 6 . 1 1 85 85 ARG N N 67 120.431 120.431 118.153 2.278 18492
2066 1 6 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.435 -0.221 18492
2067 1 6 . 1 1 85 85 ARG C C 67 176.547 176.547 177.097 -0.550 18492
2068 1 6 . 1 1 85 85 ARG CA C 67 56.886 56.886 56.573 0.313 18492
2069 1 6 . 1 1 85 85 ARG CB C 67 30.325 30.325 31.229 -0.904 18492
2070 1 6 . 1 1 85 85 ARG H H 67 7.873 7.873 7.558 0.315 18492
2071 1 6 . 1 1 86 86 LYS N N 68 121.690 121.690 122.065 -0.375 18492
2072 1 6 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.458 -0.193 18492
2073 1 6 . 1 1 86 86 LYS C C 68 176.561 176.561 176.132 0.429 18492
2074 1 6 . 1 1 86 86 LYS CA C 68 56.926 56.926 54.456 2.470 18492
2075 1 6 . 1 1 86 86 LYS CB C 68 32.886 32.886 30.143 2.743 18492
2076 1 6 . 1 1 86 86 LYS H H 68 8.040 8.040 7.882 0.158 18492
2077 1 6 . 1 1 87 87 LYS N N 69 122.486 122.486 123.836 -1.350 18492
2078 1 6 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.337 -0.068 18492
2079 1 6 . 1 1 87 87 LYS C C 69 176.383 176.383 175.840 0.543 18492
2080 1 6 . 1 1 87 87 LYS CA C 69 56.500 56.500 55.841 0.659 18492
2081 1 6 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.358 1.742 18492
2082 1 6 . 1 1 87 87 LYS H H 69 8.116 8.116 7.911 0.205 18492
2083 1 6 . 1 1 88 88 LYS N N 70 123.589 123.589 122.988 0.601 18492
2084 1 6 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.407 -0.160 18492
2085 1 6 . 1 1 88 88 LYS C C 70 175.618 175.618 175.528 0.090 18492
2086 1 6 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.586 1.107 18492
2087 1 6 . 1 1 88 88 LYS CB C 70 33.089 33.089 31.628 1.461 18492
2088 1 6 . 1 1 88 88 LYS H H 70 8.247 8.247 7.784 0.463 18492
2089 1 7 . 1 1 20 20 THR N N 2 114.872 114.872 119.324 -4.452 18492
2090 1 7 . 1 1 20 20 THR HA H 2 4.639 4.639 4.396 0.243 18492
2091 1 7 . 1 1 20 20 THR C C 2 175.858 175.858 175.409 0.449 18492
2092 1 7 . 1 1 20 20 THR CA C 2 59.992 59.992 61.520 -1.528 18492
2093 1 7 . 1 1 20 20 THR CB C 2 71.359 71.359 70.020 1.339 18492
2094 1 7 . 1 1 20 20 THR H H 2 9.423 9.423 8.185 1.238 18492
2095 1 7 . 1 1 21 21 GLU N N 3 121.694 121.694 122.037 -0.343 18492
2096 1 7 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.028 -0.009 18492
2097 1 7 . 1 1 21 21 GLU C C 3 179.808 179.808 178.826 0.982 18492
2098 1 7 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.778 0.464 18492
2099 1 7 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.332 0.001 18492
2100 1 7 . 1 1 21 21 GLU H H 3 9.120 9.120 8.959 0.161 18492
2101 1 7 . 1 1 22 22 GLU N N 4 120.617 120.617 119.036 1.581 18492
2102 1 7 . 1 1 22 22 GLU HA H 4 4.102 4.102 3.994 0.108 18492
2103 1 7 . 1 1 22 22 GLU C C 4 179.604 179.604 178.686 0.918 18492
2104 1 7 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.579 0.324 18492
2105 1 7 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.321 -0.152 18492
2106 1 7 . 1 1 22 22 GLU H H 4 8.735 8.735 8.751 -0.016 18492
2107 1 7 . 1 1 23 23 GLU N N 5 120.811 120.811 118.999 1.812 18492
2108 1 7 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.200 -0.126 18492
2109 1 7 . 1 1 23 23 GLU C C 5 179.511 179.511 179.115 0.396 18492
2110 1 7 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.720 0.747 18492
2111 1 7 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.009 2.404 18492
2112 1 7 . 1 1 23 23 GLU H H 5 7.887 7.887 7.807 0.080 18492
2113 1 7 . 1 1 24 24 MET N N 6 117.260 117.260 119.338 -2.078 18492
2114 1 7 . 1 1 24 24 MET HA H 6 3.665 3.665 4.608 -0.943 18492
2115 1 7 . 1 1 24 24 MET C C 6 178.480 178.480 179.208 -0.728 18492
2116 1 7 . 1 1 24 24 MET CA C 6 60.134 60.134 57.373 2.761 18492
2117 1 7 . 1 1 24 24 MET CB C 6 33.059 33.059 31.620 1.439 18492
2118 1 7 . 1 1 24 24 MET H H 6 8.607 8.607 8.788 -0.181 18492
2119 1 7 . 1 1 25 25 GLY N N 7 106.564 106.564 106.566 -0.002 18492
2120 1 7 . 1 1 25 25 GLY C C 7 177.376 177.376 176.096 1.280 18492
2121 1 7 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.187 0.145 18492
2122 1 7 . 1 1 25 25 GLY H H 7 8.494 8.494 8.346 0.148 18492
2123 1 7 . 1 1 26 26 THR N N 8 121.127 121.127 118.305 2.822 18492
2124 1 7 . 1 1 26 26 THR HA H 8 3.956 3.956 4.177 -0.221 18492
2125 1 7 . 1 1 26 26 THR C C 8 175.895 175.895 175.948 -0.053 18492
2126 1 7 . 1 1 26 26 THR CA C 8 66.737 66.737 65.707 1.030 18492
2127 1 7 . 1 1 26 26 THR CB C 8 67.623 67.623 68.546 -0.923 18492
2128 1 7 . 1 1 26 26 THR H H 8 8.242 8.242 7.842 0.400 18492
2129 1 7 . 1 1 27 27 ALA N N 9 125.226 125.226 124.833 0.393 18492
2130 1 7 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.225 -0.346 18492
2131 1 7 . 1 1 27 27 ALA C C 9 179.361 179.361 179.079 0.282 18492
2132 1 7 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.233 0.511 18492
2133 1 7 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.230 -0.541 18492
2134 1 7 . 1 1 27 27 ALA H H 9 8.605 8.605 8.414 0.191 18492
2135 1 7 . 1 1 28 28 LYS N N 10 116.449 116.449 119.630 -3.181 18492
2136 1 7 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.123 -0.229 18492
2137 1 7 . 1 1 28 28 LYS C C 10 179.264 179.264 178.613 0.651 18492
2138 1 7 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.358 1.896 18492
2139 1 7 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.392 -0.200 18492
2140 1 7 . 1 1 28 28 LYS H H 10 8.149 8.149 7.996 0.153 18492
2141 1 7 . 1 1 29 29 LYS N N 11 121.248 121.248 118.809 2.439 18492
2142 1 7 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.077 -0.050 18492
2143 1 7 . 1 1 29 29 LYS C C 11 179.168 179.168 179.020 0.148 18492
2144 1 7 . 1 1 29 29 LYS CA C 11 59.611 59.611 59.010 0.601 18492
2145 1 7 . 1 1 29 29 LYS CB C 11 32.109 32.109 32.047 0.062 18492
2146 1 7 . 1 1 29 29 LYS H H 11 7.747 7.747 8.016 -0.269 18492
2147 1 7 . 1 1 30 30 GLY N N 12 108.727 108.727 107.270 1.457 18492
2148 1 7 . 1 1 30 30 GLY C C 12 174.800 174.800 176.153 -1.353 18492
2149 1 7 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.157 1.862 18492
2150 1 7 . 1 1 30 30 GLY H H 12 8.838 8.838 7.930 0.908 18492
2151 1 7 . 1 1 31 31 LEU N N 13 124.189 124.189 122.676 1.513 18492
2152 1 7 . 1 1 31 31 LEU HA H 13 4.089 4.089 3.956 0.133 18492
2153 1 7 . 1 1 31 31 LEU C C 13 179.023 179.023 179.061 -0.038 18492
2154 1 7 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.428 0.051 18492
2155 1 7 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.851 0.704 18492
2156 1 7 . 1 1 31 31 LEU H H 13 8.520 8.520 8.083 0.437 18492
2157 1 7 . 1 1 32 32 LEU N N 14 119.512 119.512 119.762 -0.250 18492
2158 1 7 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.792 0.166 18492
2159 1 7 . 1 1 32 32 LEU C C 14 178.844 178.844 178.059 0.785 18492
2160 1 7 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.765 0.170 18492
2161 1 7 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.633 0.032 18492
2162 1 7 . 1 1 32 32 LEU H H 14 7.322 7.322 7.931 -0.609 18492
2163 1 7 . 1 1 33 33 GLU N N 15 117.254 117.254 117.352 -0.098 18492
2164 1 7 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.852 0.150 18492
2165 1 7 . 1 1 33 33 GLU C C 15 178.636 178.636 178.682 -0.046 18492
2166 1 7 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.731 -0.054 18492
2167 1 7 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.688 0.736 18492
2168 1 7 . 1 1 33 33 GLU H H 15 7.940 7.940 7.548 0.392 18492
2169 1 7 . 1 1 34 34 HIS N N 16 113.397 113.397 114.582 -1.185 18492
2170 1 7 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.412 0.354 18492
2171 1 7 . 1 1 34 34 HIS C C 16 176.465 176.465 176.119 0.346 18492
2172 1 7 . 1 1 34 34 HIS CA C 16 55.527 55.527 56.713 -1.186 18492
2173 1 7 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.176 2.218 18492
2174 1 7 . 1 1 34 34 HIS H H 16 8.732 8.732 8.152 0.580 18492
2175 1 7 . 1 1 35 35 GLY N N 17 112.392 112.392 107.992 4.400 18492
2176 1 7 . 1 1 35 35 GLY C C 17 172.914 172.914 174.084 -1.170 18492
2177 1 7 . 1 1 35 35 GLY CA C 17 45.731 45.731 45.021 0.710 18492
2178 1 7 . 1 1 35 35 GLY H H 17 7.475 7.475 7.764 -0.289 18492
2179 1 7 . 1 1 36 36 ARG N N 18 121.605 121.605 115.353 6.252 18492
2180 1 7 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.048 -0.363 18492
2181 1 7 . 1 1 36 36 ARG C C 18 174.673 174.673 174.399 0.274 18492
2182 1 7 . 1 1 36 36 ARG CA C 18 54.676 54.676 56.753 -2.077 18492
2183 1 7 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.470 -0.700 18492
2184 1 7 . 1 1 36 36 ARG H H 18 7.805 7.805 7.709 0.096 18492
2185 1 7 . 1 1 37 37 ASN N N 19 118.725 118.725 118.092 0.633 18492
2186 1 7 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.420 0.040 18492
2187 1 7 . 1 1 37 37 ASN C C 19 175.272 175.272 175.947 -0.675 18492
2188 1 7 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.531 -2.177 18492
2189 1 7 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.436 -0.262 18492
2190 1 7 . 1 1 37 37 ASN H H 19 6.939 6.939 7.980 -1.041 18492
2191 1 7 . 1 1 38 38 TRP N N 20 123.054 123.054 125.386 -2.332 18492
2192 1 7 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.410 0.002 18492
2193 1 7 . 1 1 38 38 TRP C C 20 177.950 177.950 178.305 -0.355 18492
2194 1 7 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.294 -0.492 18492
2195 1 7 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.962 1.638 18492
2196 1 7 . 1 1 38 38 TRP H H 20 7.064 7.064 7.632 -0.568 18492
2197 1 7 . 1 1 39 39 SER N N 21 112.959 112.959 115.204 -2.245 18492
2198 1 7 . 1 1 39 39 SER HA H 21 4.171 4.171 4.086 0.085 18492
2199 1 7 . 1 1 39 39 SER C C 21 176.653 176.653 176.194 0.459 18492
2200 1 7 . 1 1 39 39 SER CA C 21 61.632 61.632 61.448 0.184 18492
2201 1 7 . 1 1 39 39 SER CB C 21 62.389 62.389 62.579 -0.190 18492
2202 1 7 . 1 1 39 39 SER H H 21 8.526 8.526 8.267 0.259 18492
2203 1 7 . 1 1 40 40 ALA N N 22 124.572 124.572 123.956 0.616 18492
2204 1 7 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.093 -0.284 18492
2205 1 7 . 1 1 40 40 ALA C C 22 180.307 180.307 179.703 0.604 18492
2206 1 7 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.761 -0.425 18492
2207 1 7 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.256 -1.436 18492
2208 1 7 . 1 1 40 40 ALA H H 22 7.130 7.130 7.785 -0.655 18492
2209 1 7 . 1 1 41 41 ILE N N 23 118.436 118.436 118.397 0.039 18492
2210 1 7 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.721 -0.136 18492
2211 1 7 . 1 1 41 41 ILE C C 23 177.684 177.684 177.786 -0.102 18492
2212 1 7 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.123 3.748 18492
2213 1 7 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.575 1.877 18492
2214 1 7 . 1 1 41 41 ILE H H 23 7.750 7.750 7.825 -0.075 18492
2215 1 7 . 1 1 42 42 ALA N N 24 122.987 122.987 122.538 0.449 18492
2216 1 7 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.062 -0.142 18492
2217 1 7 . 1 1 42 42 ALA C C 24 180.335 180.335 179.408 0.927 18492
2218 1 7 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.636 0.466 18492
2219 1 7 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.402 -0.068 18492
2220 1 7 . 1 1 42 42 ALA H H 24 8.730 8.730 8.294 0.436 18492
2221 1 7 . 1 1 43 43 ARG N N 25 117.188 117.188 118.598 -1.410 18492
2222 1 7 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.095 -0.073 18492
2223 1 7 . 1 1 43 43 ARG C C 25 178.559 178.559 178.534 0.025 18492
2224 1 7 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.944 0.122 18492
2225 1 7 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.228 -0.274 18492
2226 1 7 . 1 1 43 43 ARG H H 25 7.511 7.511 7.585 -0.074 18492
2227 1 7 . 1 1 44 44 MET N N 26 117.388 117.388 119.485 -2.097 18492
2228 1 7 . 1 1 44 44 MET HA H 26 4.029 4.029 4.204 -0.175 18492
2229 1 7 . 1 1 44 44 MET C C 26 177.655 177.655 177.822 -0.167 18492
2230 1 7 . 1 1 44 44 MET CA C 26 58.926 58.926 58.805 0.121 18492
2231 1 7 . 1 1 44 44 MET CB C 26 34.267 34.267 32.908 1.359 18492
2232 1 7 . 1 1 44 44 MET H H 26 7.399 7.399 7.815 -0.416 18492
2233 1 7 . 1 1 45 45 VAL N N 27 119.232 119.232 115.079 4.153 18492
2234 1 7 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.184 -0.603 18492
2235 1 7 . 1 1 45 45 VAL C C 27 178.991 178.991 177.631 1.360 18492
2236 1 7 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.501 1.258 18492
2237 1 7 . 1 1 45 45 VAL CB C 27 32.405 32.405 31.603 0.802 18492
2238 1 7 . 1 1 45 45 VAL H H 27 8.526 8.526 8.118 0.408 18492
2239 1 7 . 1 1 46 46 GLY N N 28 108.996 108.996 107.406 1.590 18492
2240 1 7 . 1 1 46 46 GLY C C 28 175.739 175.739 175.052 0.687 18492
2241 1 7 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.393 1.857 18492
2242 1 7 . 1 1 46 46 GLY H H 28 8.663 8.663 7.879 0.784 18492
2243 1 7 . 1 1 47 47 SER N N 29 112.827 112.827 113.311 -0.484 18492
2244 1 7 . 1 1 47 47 SER HA H 29 4.291 4.291 4.159 0.132 18492
2245 1 7 . 1 1 47 47 SER C C 29 173.701 173.701 173.685 0.016 18492
2246 1 7 . 1 1 47 47 SER CA C 29 57.352 57.352 58.981 -1.629 18492
2247 1 7 . 1 1 47 47 SER CB C 29 62.198 62.198 62.187 0.011 18492
2248 1 7 . 1 1 47 47 SER H H 29 7.948 7.948 7.907 0.041 18492
2249 1 7 . 1 1 48 48 LYS N N 30 119.562 119.562 120.518 -0.956 18492
2250 1 7 . 1 1 48 48 LYS H H 30 6.655 6.655 7.882 -1.227 18492
2251 1 7 . 1 1 49 49 THR N N 31 111.264 111.264 117.163 -5.899 18492
2252 1 7 . 1 1 49 49 THR HA H 31 4.377 4.377 4.207 0.170 18492
2253 1 7 . 1 1 49 49 THR C C 31 176.481 176.481 176.332 0.149 18492
2254 1 7 . 1 1 49 49 THR CA C 31 60.302 60.302 63.298 -2.996 18492
2255 1 7 . 1 1 49 49 THR CB C 31 72.012 72.012 69.133 2.879 18492
2256 1 7 . 1 1 49 49 THR H H 31 8.900 8.900 8.081 0.819 18492
2257 1 7 . 1 1 50 50 VAL N N 32 121.079 121.079 126.913 -5.834 18492
2258 1 7 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.740 -0.220 18492
2259 1 7 . 1 1 50 50 VAL C C 32 177.818 177.818 177.775 0.043 18492
2260 1 7 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.821 2.244 18492
2261 1 7 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.825 0.005 18492
2262 1 7 . 1 1 50 50 VAL H H 32 8.697 8.697 8.564 0.133 18492
2263 1 7 . 1 1 51 51 SER N N 33 113.769 113.769 114.457 -0.688 18492
2264 1 7 . 1 1 51 51 SER HA H 33 3.995 3.995 4.092 -0.097 18492
2265 1 7 . 1 1 51 51 SER C C 33 177.346 177.346 176.509 0.837 18492
2266 1 7 . 1 1 51 51 SER CA C 33 61.640 61.640 61.374 0.266 18492
2267 1 7 . 1 1 51 51 SER CB C 33 62.431 62.431 62.543 -0.112 18492
2268 1 7 . 1 1 51 51 SER H H 33 8.334 8.334 8.344 -0.010 18492
2269 1 7 . 1 1 52 52 GLN N N 34 120.084 120.084 121.030 -0.946 18492
2270 1 7 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.186 0.117 18492
2271 1 7 . 1 1 52 52 GLN C C 34 180.343 180.343 177.947 2.396 18492
2272 1 7 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.004 0.278 18492
2273 1 7 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.415 1.147 18492
2274 1 7 . 1 1 52 52 GLN H H 34 7.781 7.781 7.832 -0.051 18492
2275 1 7 . 1 1 53 53 CYS N N 35 120.950 120.950 117.380 3.570 18492
2276 1 7 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.490 -0.031 18492
2277 1 7 . 1 1 53 53 CYS C C 35 175.170 175.170 176.873 -1.703 18492
2278 1 7 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.418 5.164 18492
2279 1 7 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.076 0.038 18492
2280 1 7 . 1 1 53 53 CYS H H 35 8.748 8.748 8.082 0.666 18492
2281 1 7 . 1 1 54 54 LYS N N 36 120.488 120.488 120.196 0.292 18492
2282 1 7 . 1 1 54 54 LYS HA H 36 2.225 2.225 2.967 -0.742 18492
2283 1 7 . 1 1 54 54 LYS C C 36 177.848 177.848 178.765 -0.917 18492
2284 1 7 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.227 0.234 18492
2285 1 7 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.141 -0.207 18492
2286 1 7 . 1 1 54 54 LYS H H 36 7.790 7.790 7.827 -0.037 18492
2287 1 7 . 1 1 55 55 ASN N N 37 116.085 116.085 118.155 -2.070 18492
2288 1 7 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.655 -0.231 18492
2289 1 7 . 1 1 55 55 ASN C C 37 177.149 177.149 177.749 -0.600 18492
2290 1 7 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.267 0.819 18492
2291 1 7 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.102 0.367 18492
2292 1 7 . 1 1 55 55 ASN H H 37 7.988 7.988 8.185 -0.198 18492
2293 1 7 . 1 1 56 56 PHE N N 38 121.512 121.512 122.338 -0.826 18492
2294 1 7 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.151 -0.571 18492
2295 1 7 . 1 1 56 56 PHE C C 38 175.968 175.968 176.997 -1.029 18492
2296 1 7 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.179 0.478 18492
2297 1 7 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.698 0.163 18492
2298 1 7 . 1 1 56 56 PHE H H 38 8.117 8.117 8.043 0.074 18492
2299 1 7 . 1 1 57 57 TYR N N 39 114.465 114.465 119.632 -5.167 18492
2300 1 7 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.763 -0.096 18492
2301 1 7 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.307 1.540 18492
2302 1 7 . 1 1 57 57 TYR CB C 39 38.720 38.720 37.807 0.913 18492
2303 1 7 . 1 1 57 57 TYR H H 39 7.723 7.723 7.435 0.288 18492
2304 1 7 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.383 -0.296 18492
2305 1 7 . 1 1 66 66 LEU C C 48 179.076 179.076 177.449 1.627 18492
2306 1 7 . 1 1 66 66 LEU CA C 48 57.264 57.264 56.981 0.283 18492
2307 1 7 . 1 1 66 66 LEU CB C 48 41.152 41.152 42.422 -1.270 18492
2308 1 7 . 1 1 67 67 ASP N N 49 118.908 118.908 119.872 -0.964 18492
2309 1 7 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.407 0.290 18492
2310 1 7 . 1 1 67 67 ASP C C 49 179.483 179.483 178.193 1.290 18492
2311 1 7 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.323 0.163 18492
2312 1 7 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.280 -2.202 18492
2313 1 7 . 1 1 67 67 ASP H H 49 8.630 8.630 8.372 0.258 18492
2314 1 7 . 1 1 68 68 GLU N N 50 122.261 122.261 119.453 2.808 18492
2315 1 7 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.020 0.102 18492
2316 1 7 . 1 1 68 68 GLU C C 50 179.120 179.120 178.966 0.154 18492
2317 1 7 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.423 -0.042 18492
2318 1 7 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.094 0.089 18492
2319 1 7 . 1 1 68 68 GLU H H 50 7.906 7.906 8.360 -0.454 18492
2320 1 7 . 1 1 69 69 ILE N N 51 120.582 120.582 120.495 0.087 18492
2321 1 7 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.781 0.013 18492
2322 1 7 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.797 -0.068 18492
2323 1 7 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.523 -0.059 18492
2324 1 7 . 1 1 69 69 ILE H H 51 7.296 7.296 7.339 -0.043 18492
2325 1 7 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.241 -0.153 18492
2326 1 7 . 1 1 70 70 LEU C C 52 180.091 180.091 179.520 0.571 18492
2327 1 7 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.883 0.968 18492
2328 1 7 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.482 0.683 18492
2329 1 7 . 1 1 71 71 GLN N N 53 121.069 121.069 119.647 1.422 18492
2330 1 7 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.033 0.147 18492
2331 1 7 . 1 1 71 71 GLN C C 53 178.551 178.551 178.520 0.031 18492
2332 1 7 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.795 0.005 18492
2333 1 7 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.324 -0.573 18492
2334 1 7 . 1 1 71 71 GLN H H 53 8.075 8.075 7.998 0.077 18492
2335 1 7 . 1 1 72 72 GLN N N 54 119.983 119.983 118.276 1.707 18492
2336 1 7 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.056 -0.035 18492
2337 1 7 . 1 1 72 72 GLN C C 54 179.376 179.376 178.199 1.177 18492
2338 1 7 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.455 0.377 18492
2339 1 7 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.302 -0.224 18492
2340 1 7 . 1 1 72 72 GLN H H 54 7.900 7.900 8.271 -0.371 18492
2341 1 7 . 1 1 73 73 HIS N N 55 120.410 120.410 120.567 -0.157 18492
2342 1 7 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.062 0.252 18492
2343 1 7 . 1 1 73 73 HIS C C 55 176.222 176.222 177.032 -0.810 18492
2344 1 7 . 1 1 73 73 HIS CA C 55 60.002 60.002 60.136 -0.134 18492
2345 1 7 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.029 -1.865 18492
2346 1 7 . 1 1 73 73 HIS H H 55 8.637 8.637 8.059 0.578 18492
2347 1 7 . 1 1 74 74 LYS N N 56 120.014 120.014 119.338 0.676 18492
2348 1 7 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.876 -0.111 18492
2349 1 7 . 1 1 74 74 LYS C C 56 179.024 179.024 179.000 0.024 18492
2350 1 7 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.776 -0.130 18492
2351 1 7 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.417 -0.222 18492
2352 1 7 . 1 1 74 74 LYS H H 56 7.944 7.944 7.980 -0.036 18492
2353 1 7 . 1 1 75 75 LEU N N 57 119.352 119.352 116.205 3.147 18492
2354 1 7 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.158 -0.104 18492
2355 1 7 . 1 1 75 75 LEU C C 57 179.386 179.386 178.989 0.397 18492
2356 1 7 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.755 -0.109 18492
2357 1 7 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.171 0.608 18492
2358 1 7 . 1 1 75 75 LEU H H 57 7.870 7.870 7.604 0.266 18492
2359 1 7 . 1 1 76 76 LYS N N 58 121.054 121.054 120.891 0.163 18492
2360 1 7 . 1 1 76 76 LYS HA H 58 3.968 3.968 4.013 -0.045 18492
2361 1 7 . 1 1 76 76 LYS C C 58 178.872 178.872 179.013 -0.141 18492
2362 1 7 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.284 0.022 18492
2363 1 7 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.263 -0.010 18492
2364 1 7 . 1 1 76 76 LYS H H 58 7.943 7.943 7.970 -0.027 18492
2365 1 7 . 1 1 77 77 MET N N 59 117.676 117.676 116.808 0.868 18492
2366 1 7 . 1 1 77 77 MET HA H 59 4.164 4.164 4.150 0.014 18492
2367 1 7 . 1 1 77 77 MET C C 59 179.131 179.131 178.550 0.581 18492
2368 1 7 . 1 1 77 77 MET CA C 59 57.271 57.271 57.741 -0.470 18492
2369 1 7 . 1 1 77 77 MET CB C 59 31.676 31.676 31.211 0.465 18492
2370 1 7 . 1 1 77 77 MET H H 59 7.910 7.910 8.103 -0.193 18492
2371 1 7 . 1 1 78 78 GLU N N 60 120.695 120.695 119.770 0.925 18492
2372 1 7 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.062 -0.062 18492
2373 1 7 . 1 1 78 78 GLU C C 60 178.407 178.407 178.348 0.059 18492
2374 1 7 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.502 -0.224 18492
2375 1 7 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.357 0.112 18492
2376 1 7 . 1 1 78 78 GLU H H 60 8.005 8.005 7.938 0.067 18492
2377 1 7 . 1 1 79 79 LYS N N 61 119.944 119.944 118.607 1.337 18492
2378 1 7 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.013 0.061 18492
2379 1 7 . 1 1 79 79 LYS C C 61 179.350 179.350 179.079 0.271 18492
2380 1 7 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.227 -0.175 18492
2381 1 7 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.229 0.012 18492
2382 1 7 . 1 1 79 79 LYS H H 61 7.993 7.993 7.912 0.081 18492
2383 1 7 . 1 1 80 80 GLU N N 62 119.421 119.421 118.832 0.589 18492
2384 1 7 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.032 0.020 18492
2385 1 7 . 1 1 80 80 GLU C C 62 178.434 178.434 178.725 -0.291 18492
2386 1 7 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.975 -0.397 18492
2387 1 7 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.056 0.455 18492
2388 1 7 . 1 1 80 80 GLU H H 62 8.011 8.011 8.330 -0.319 18492
2389 1 7 . 1 1 81 81 ARG N N 63 120.087 120.087 120.037 0.050 18492
2390 1 7 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.062 0.001 18492
2391 1 7 . 1 1 81 81 ARG C C 63 178.289 178.289 178.658 -0.369 18492
2392 1 7 . 1 1 81 81 ARG CA C 63 58.729 58.729 58.924 -0.195 18492
2393 1 7 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.271 -0.287 18492
2394 1 7 . 1 1 81 81 ARG H H 63 8.038 8.038 7.562 0.476 18492
2395 1 7 . 1 1 82 82 ASN N N 64 117.835 117.835 117.832 0.003 18492
2396 1 7 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.533 -0.007 18492
2397 1 7 . 1 1 82 82 ASN C C 64 176.397 176.397 177.259 -0.862 18492
2398 1 7 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.656 -0.981 18492
2399 1 7 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.293 0.202 18492
2400 1 7 . 1 1 82 82 ASN H H 64 8.176 8.176 8.177 -0.001 18492
2401 1 7 . 1 1 83 83 ALA N N 65 122.797 122.797 122.252 0.545 18492
2402 1 7 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.176 0.028 18492
2403 1 7 . 1 1 83 83 ALA C C 65 178.776 178.776 178.317 0.459 18492
2404 1 7 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.563 -0.805 18492
2405 1 7 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.683 0.086 18492
2406 1 7 . 1 1 83 83 ALA H H 65 7.883 7.883 7.968 -0.085 18492
2407 1 7 . 1 1 84 84 ARG N N 66 118.042 118.042 114.888 3.154 18492
2408 1 7 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.166 0.047 18492
2409 1 7 . 1 1 84 84 ARG C C 66 177.040 177.040 177.397 -0.357 18492
2410 1 7 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.845 -0.775 18492
2411 1 7 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.449 -0.064 18492
2412 1 7 . 1 1 84 84 ARG H H 66 7.855 7.855 7.573 0.282 18492
2413 1 7 . 1 1 85 85 ARG N N 67 120.431 120.431 116.922 3.509 18492
2414 1 7 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.454 -0.240 18492
2415 1 7 . 1 1 85 85 ARG C C 67 176.547 176.547 177.393 -0.846 18492
2416 1 7 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.108 1.778 18492
2417 1 7 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.310 0.015 18492
2418 1 7 . 1 1 85 85 ARG H H 67 7.873 7.873 7.477 0.396 18492
2419 1 7 . 1 1 86 86 LYS N N 68 121.690 121.690 122.144 -0.454 18492
2420 1 7 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.261 0.004 18492
2421 1 7 . 1 1 86 86 LYS C C 68 176.561 176.561 175.713 0.848 18492
2422 1 7 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.281 1.645 18492
2423 1 7 . 1 1 86 86 LYS CB C 68 32.886 32.886 30.399 2.487 18492
2424 1 7 . 1 1 86 86 LYS H H 68 8.040 8.040 7.635 0.405 18492
2425 1 7 . 1 1 87 87 LYS N N 69 122.486 122.486 118.880 3.606 18492
2426 1 7 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.357 -0.088 18492
2427 1 7 . 1 1 87 87 LYS C C 69 176.383 176.383 176.794 -0.411 18492
2428 1 7 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.183 0.317 18492
2429 1 7 . 1 1 87 87 LYS CB C 69 33.100 33.100 32.648 0.452 18492
2430 1 7 . 1 1 87 87 LYS H H 69 8.116 8.116 7.722 0.394 18492
2431 1 7 . 1 1 88 88 LYS N N 70 123.589 123.589 122.432 1.157 18492
2432 1 7 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.434 -0.187 18492
2433 1 7 . 1 1 88 88 LYS C C 70 175.618 175.618 175.730 -0.112 18492
2434 1 7 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.220 0.473 18492
2435 1 7 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.129 0.960 18492
2436 1 7 . 1 1 88 88 LYS H H 70 8.247 8.247 8.166 0.081 18492
2437 1 8 . 1 1 20 20 THR N N 2 114.872 114.872 119.307 -4.435 18492
2438 1 8 . 1 1 20 20 THR HA H 2 4.639 4.639 4.501 0.138 18492
2439 1 8 . 1 1 20 20 THR C C 2 175.858 175.858 175.784 0.074 18492
2440 1 8 . 1 1 20 20 THR CA C 2 59.992 59.992 62.492 -2.500 18492
2441 1 8 . 1 1 20 20 THR CB C 2 71.359 71.359 69.994 1.365 18492
2442 1 8 . 1 1 20 20 THR H H 2 9.423 9.423 8.445 0.978 18492
2443 1 8 . 1 1 21 21 GLU N N 3 121.694 121.694 124.561 -2.867 18492
2444 1 8 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.061 -0.042 18492
2445 1 8 . 1 1 21 21 GLU C C 3 179.808 179.808 178.594 1.214 18492
2446 1 8 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.997 0.245 18492
2447 1 8 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.341 -0.008 18492
2448 1 8 . 1 1 21 21 GLU H H 3 9.120 9.120 9.058 0.062 18492
2449 1 8 . 1 1 22 22 GLU N N 4 120.617 120.617 118.752 1.865 18492
2450 1 8 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.060 0.042 18492
2451 1 8 . 1 1 22 22 GLU C C 4 179.604 179.604 178.897 0.707 18492
2452 1 8 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.508 0.395 18492
2453 1 8 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.163 0.006 18492
2454 1 8 . 1 1 22 22 GLU H H 4 8.735 8.735 8.733 0.002 18492
2455 1 8 . 1 1 23 23 GLU N N 5 120.811 120.811 118.773 2.038 18492
2456 1 8 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.167 -0.093 18492
2457 1 8 . 1 1 23 23 GLU C C 5 179.511 179.511 178.734 0.777 18492
2458 1 8 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.345 1.122 18492
2459 1 8 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.163 2.250 18492
2460 1 8 . 1 1 23 23 GLU H H 5 7.887 7.887 7.863 0.024 18492
2461 1 8 . 1 1 24 24 MET N N 6 117.260 117.260 121.125 -3.865 18492
2462 1 8 . 1 1 24 24 MET HA H 6 3.665 3.665 4.257 -0.592 18492
2463 1 8 . 1 1 24 24 MET C C 6 178.480 178.480 177.925 0.555 18492
2464 1 8 . 1 1 24 24 MET CA C 6 60.134 60.134 58.773 1.361 18492
2465 1 8 . 1 1 24 24 MET CB C 6 33.059 33.059 32.644 0.415 18492
2466 1 8 . 1 1 24 24 MET H H 6 8.607 8.607 8.524 0.083 18492
2467 1 8 . 1 1 25 25 GLY N N 7 106.564 106.564 106.320 0.244 18492
2468 1 8 . 1 1 25 25 GLY C C 7 177.376 177.376 175.529 1.847 18492
2469 1 8 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.197 0.135 18492
2470 1 8 . 1 1 25 25 GLY H H 7 8.494 8.494 8.069 0.425 18492
2471 1 8 . 1 1 26 26 THR N N 8 121.127 121.127 119.123 2.004 18492
2472 1 8 . 1 1 26 26 THR HA H 8 3.956 3.956 4.008 -0.052 18492
2473 1 8 . 1 1 26 26 THR C C 8 175.895 175.895 176.455 -0.560 18492
2474 1 8 . 1 1 26 26 THR CA C 8 66.737 66.737 66.315 0.422 18492
2475 1 8 . 1 1 26 26 THR CB C 8 67.623 67.623 68.806 -1.183 18492
2476 1 8 . 1 1 26 26 THR H H 8 8.242 8.242 7.472 0.770 18492
2477 1 8 . 1 1 27 27 ALA N N 9 125.226 125.226 124.755 0.471 18492
2478 1 8 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.089 -0.210 18492
2479 1 8 . 1 1 27 27 ALA C C 9 179.361 179.361 178.839 0.522 18492
2480 1 8 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.442 0.302 18492
2481 1 8 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.167 -0.478 18492
2482 1 8 . 1 1 27 27 ALA H H 9 8.605 8.605 8.027 0.578 18492
2483 1 8 . 1 1 28 28 LYS N N 10 116.449 116.449 119.083 -2.634 18492
2484 1 8 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.055 -0.161 18492
2485 1 8 . 1 1 28 28 LYS C C 10 179.264 179.264 178.908 0.356 18492
2486 1 8 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.273 1.981 18492
2487 1 8 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.434 -0.242 18492
2488 1 8 . 1 1 28 28 LYS H H 10 8.149 8.149 8.086 0.063 18492
2489 1 8 . 1 1 29 29 LYS N N 11 121.248 121.248 118.645 2.603 18492
2490 1 8 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.130 -0.103 18492
2491 1 8 . 1 1 29 29 LYS C C 11 179.168 179.168 178.838 0.330 18492
2492 1 8 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.307 1.304 18492
2493 1 8 . 1 1 29 29 LYS CB C 11 32.109 32.109 32.051 0.058 18492
2494 1 8 . 1 1 29 29 LYS H H 11 7.747 7.747 7.910 -0.163 18492
2495 1 8 . 1 1 30 30 GLY N N 12 108.727 108.727 108.055 0.672 18492
2496 1 8 . 1 1 30 30 GLY C C 12 174.800 174.800 176.151 -1.351 18492
2497 1 8 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.195 1.824 18492
2498 1 8 . 1 1 30 30 GLY H H 12 8.838 8.838 7.922 0.916 18492
2499 1 8 . 1 1 31 31 LEU N N 13 124.189 124.189 121.942 2.247 18492
2500 1 8 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.251 -0.162 18492
2501 1 8 . 1 1 31 31 LEU C C 13 179.023 179.023 178.868 0.155 18492
2502 1 8 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.696 0.783 18492
2503 1 8 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.607 0.948 18492
2504 1 8 . 1 1 31 31 LEU H H 13 8.520 8.520 8.254 0.266 18492
2505 1 8 . 1 1 32 32 LEU N N 14 119.512 119.512 119.312 0.200 18492
2506 1 8 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.814 0.144 18492
2507 1 8 . 1 1 32 32 LEU C C 14 178.844 178.844 178.291 0.553 18492
2508 1 8 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.487 0.448 18492
2509 1 8 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.033 -0.368 18492
2510 1 8 . 1 1 32 32 LEU H H 14 7.322 7.322 7.266 0.056 18492
2511 1 8 . 1 1 33 33 GLU N N 15 117.254 117.254 117.585 -0.331 18492
2512 1 8 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.709 0.293 18492
2513 1 8 . 1 1 33 33 GLU C C 15 178.636 178.636 177.621 1.015 18492
2514 1 8 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.422 0.255 18492
2515 1 8 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.310 1.113 18492
2516 1 8 . 1 1 33 33 GLU H H 15 7.940 7.940 7.806 0.134 18492
2517 1 8 . 1 1 34 34 HIS N N 16 113.397 113.397 114.128 -0.731 18492
2518 1 8 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.502 0.264 18492
2519 1 8 . 1 1 34 34 HIS C C 16 176.465 176.465 176.097 0.368 18492
2520 1 8 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.042 -1.515 18492
2521 1 8 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.035 1.359 18492
2522 1 8 . 1 1 34 34 HIS H H 16 8.732 8.732 7.827 0.905 18492
2523 1 8 . 1 1 35 35 GLY N N 17 112.392 112.392 107.930 4.462 18492
2524 1 8 . 1 1 35 35 GLY C C 17 172.914 172.914 173.594 -0.680 18492
2525 1 8 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.356 1.375 18492
2526 1 8 . 1 1 35 35 GLY H H 17 7.475 7.475 7.253 0.222 18492
2527 1 8 . 1 1 36 36 ARG N N 18 121.605 121.605 120.499 1.106 18492
2528 1 8 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.780 -1.095 18492
2529 1 8 . 1 1 36 36 ARG C C 18 174.673 174.673 174.967 -0.294 18492
2530 1 8 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.914 -0.238 18492
2531 1 8 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.542 -1.772 18492
2532 1 8 . 1 1 36 36 ARG H H 18 7.805 7.805 8.312 -0.507 18492
2533 1 8 . 1 1 37 37 ASN N N 19 118.725 118.725 120.556 -1.831 18492
2534 1 8 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.526 -0.066 18492
2535 1 8 . 1 1 37 37 ASN C C 19 175.272 175.272 175.674 -0.402 18492
2536 1 8 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.445 -2.091 18492
2537 1 8 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.818 0.356 18492
2538 1 8 . 1 1 37 37 ASN H H 19 6.939 6.939 7.274 -0.335 18492
2539 1 8 . 1 1 38 38 TRP N N 20 123.054 123.054 125.098 -2.044 18492
2540 1 8 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.396 0.016 18492
2541 1 8 . 1 1 38 38 TRP C C 20 177.950 177.950 178.286 -0.336 18492
2542 1 8 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.132 -1.330 18492
2543 1 8 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.162 1.438 18492
2544 1 8 . 1 1 38 38 TRP H H 20 7.064 7.064 8.326 -1.262 18492
2545 1 8 . 1 1 39 39 SER N N 21 112.959 112.959 115.219 -2.260 18492
2546 1 8 . 1 1 39 39 SER HA H 21 4.171 4.171 4.333 -0.162 18492
2547 1 8 . 1 1 39 39 SER C C 21 176.653 176.653 176.156 0.497 18492
2548 1 8 . 1 1 39 39 SER CA C 21 61.632 61.632 61.197 0.435 18492
2549 1 8 . 1 1 39 39 SER CB C 21 62.389 62.389 62.464 -0.075 18492
2550 1 8 . 1 1 39 39 SER H H 21 8.526 8.526 8.264 0.262 18492
2551 1 8 . 1 1 40 40 ALA N N 22 124.572 124.572 124.271 0.301 18492
2552 1 8 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.109 -0.300 18492
2553 1 8 . 1 1 40 40 ALA C C 22 180.307 180.307 179.846 0.461 18492
2554 1 8 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.792 -0.456 18492
2555 1 8 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.234 -1.414 18492
2556 1 8 . 1 1 40 40 ALA H H 22 7.130 7.130 7.639 -0.509 18492
2557 1 8 . 1 1 41 41 ILE N N 23 118.436 118.436 118.034 0.402 18492
2558 1 8 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.845 -0.260 18492
2559 1 8 . 1 1 41 41 ILE C C 23 177.684 177.684 177.737 -0.053 18492
2560 1 8 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.277 3.594 18492
2561 1 8 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.637 1.815 18492
2562 1 8 . 1 1 41 41 ILE H H 23 7.750 7.750 8.103 -0.353 18492
2563 1 8 . 1 1 42 42 ALA N N 24 122.987 122.987 121.819 1.168 18492
2564 1 8 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.216 -0.296 18492
2565 1 8 . 1 1 42 42 ALA C C 24 180.335 180.335 178.836 1.499 18492
2566 1 8 . 1 1 42 42 ALA CA C 24 56.102 56.102 54.992 1.111 18492
2567 1 8 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.618 -0.284 18492
2568 1 8 . 1 1 42 42 ALA H H 24 8.730 8.730 8.178 0.552 18492
2569 1 8 . 1 1 43 43 ARG N N 25 117.188 117.188 118.463 -1.275 18492
2570 1 8 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.219 -0.197 18492
2571 1 8 . 1 1 43 43 ARG C C 25 178.559 178.559 178.576 -0.017 18492
2572 1 8 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.545 0.521 18492
2573 1 8 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.363 -0.409 18492
2574 1 8 . 1 1 43 43 ARG H H 25 7.511 7.511 7.607 -0.096 18492
2575 1 8 . 1 1 44 44 MET N N 26 117.388 117.388 119.675 -2.287 18492
2576 1 8 . 1 1 44 44 MET HA H 26 4.029 4.029 4.243 -0.214 18492
2577 1 8 . 1 1 44 44 MET C C 26 177.655 177.655 177.604 0.051 18492
2578 1 8 . 1 1 44 44 MET CA C 26 58.926 58.926 58.806 0.120 18492
2579 1 8 . 1 1 44 44 MET CB C 26 34.267 34.267 33.070 1.197 18492
2580 1 8 . 1 1 44 44 MET H H 26 7.399 7.399 7.782 -0.383 18492
2581 1 8 . 1 1 45 45 VAL N N 27 119.232 119.232 115.087 4.145 18492
2582 1 8 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.253 -0.672 18492
2583 1 8 . 1 1 45 45 VAL C C 27 178.991 178.991 177.569 1.422 18492
2584 1 8 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.515 1.244 18492
2585 1 8 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.133 0.272 18492
2586 1 8 . 1 1 45 45 VAL H H 27 8.526 8.526 8.223 0.303 18492
2587 1 8 . 1 1 46 46 GLY N N 28 108.996 108.996 107.717 1.279 18492
2588 1 8 . 1 1 46 46 GLY C C 28 175.739 175.739 175.178 0.561 18492
2589 1 8 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.369 1.881 18492
2590 1 8 . 1 1 46 46 GLY H H 28 8.663 8.663 8.145 0.518 18492
2591 1 8 . 1 1 47 47 SER N N 29 112.827 112.827 113.500 -0.673 18492
2592 1 8 . 1 1 47 47 SER HA H 29 4.291 4.291 4.137 0.154 18492
2593 1 8 . 1 1 47 47 SER C C 29 173.701 173.701 174.380 -0.679 18492
2594 1 8 . 1 1 47 47 SER CA C 29 57.352 57.352 59.827 -2.475 18492
2595 1 8 . 1 1 47 47 SER CB C 29 62.198 62.198 62.188 0.010 18492
2596 1 8 . 1 1 47 47 SER H H 29 7.948 7.948 7.994 -0.046 18492
2597 1 8 . 1 1 48 48 LYS N N 30 119.562 119.562 118.847 0.715 18492
2598 1 8 . 1 1 48 48 LYS H H 30 6.655 6.655 7.646 -0.991 18492
2599 1 8 . 1 1 49 49 THR N N 31 111.264 111.264 115.789 -4.525 18492
2600 1 8 . 1 1 49 49 THR HA H 31 4.377 4.377 4.644 -0.267 18492
2601 1 8 . 1 1 49 49 THR C C 31 176.481 176.481 174.709 1.772 18492
2602 1 8 . 1 1 49 49 THR CA C 31 60.302 60.302 61.402 -1.100 18492
2603 1 8 . 1 1 49 49 THR CB C 31 72.012 72.012 71.034 0.978 18492
2604 1 8 . 1 1 49 49 THR H H 31 8.900 8.900 8.133 0.767 18492
2605 1 8 . 1 1 50 50 VAL N N 32 121.079 121.079 126.698 -5.619 18492
2606 1 8 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.842 -0.322 18492
2607 1 8 . 1 1 50 50 VAL C C 32 177.818 177.818 177.571 0.247 18492
2608 1 8 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.481 2.584 18492
2609 1 8 . 1 1 50 50 VAL CB C 32 31.830 31.830 32.005 -0.175 18492
2610 1 8 . 1 1 50 50 VAL H H 32 8.697 8.697 8.745 -0.048 18492
2611 1 8 . 1 1 51 51 SER N N 33 113.769 113.769 115.119 -1.350 18492
2612 1 8 . 1 1 51 51 SER HA H 33 3.995 3.995 4.092 -0.097 18492
2613 1 8 . 1 1 51 51 SER C C 33 177.346 177.346 176.754 0.592 18492
2614 1 8 . 1 1 51 51 SER CA C 33 61.640 61.640 61.676 -0.036 18492
2615 1 8 . 1 1 51 51 SER CB C 33 62.431 62.431 62.934 -0.504 18492
2616 1 8 . 1 1 51 51 SER H H 33 8.334 8.334 8.304 0.030 18492
2617 1 8 . 1 1 52 52 GLN N N 34 120.084 120.084 120.438 -0.354 18492
2618 1 8 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.215 0.088 18492
2619 1 8 . 1 1 52 52 GLN C C 34 180.343 180.343 178.451 1.892 18492
2620 1 8 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.232 0.050 18492
2621 1 8 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.645 0.917 18492
2622 1 8 . 1 1 52 52 GLN H H 34 7.781 7.781 8.717 -0.936 18492
2623 1 8 . 1 1 53 53 CYS N N 35 120.950 120.950 116.597 4.353 18492
2624 1 8 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.651 -0.192 18492
2625 1 8 . 1 1 53 53 CYS C C 35 175.170 175.170 176.593 -1.423 18492
2626 1 8 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.619 4.963 18492
2627 1 8 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.088 0.026 18492
2628 1 8 . 1 1 53 53 CYS H H 35 8.748 8.748 8.086 0.662 18492
2629 1 8 . 1 1 54 54 LYS N N 36 120.488 120.488 120.592 -0.104 18492
2630 1 8 . 1 1 54 54 LYS HA H 36 2.225 2.225 2.374 -0.149 18492
2631 1 8 . 1 1 54 54 LYS C C 36 177.848 177.848 178.778 -0.930 18492
2632 1 8 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.910 0.551 18492
2633 1 8 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.894 0.040 18492
2634 1 8 . 1 1 54 54 LYS H H 36 7.790 7.790 7.493 0.297 18492
2635 1 8 . 1 1 55 55 ASN N N 37 116.085 116.085 118.345 -2.260 18492
2636 1 8 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.566 -0.142 18492
2637 1 8 . 1 1 55 55 ASN C C 37 177.149 177.149 177.300 -0.151 18492
2638 1 8 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.947 0.139 18492
2639 1 8 . 1 1 55 55 ASN CB C 37 38.469 38.469 37.906 0.563 18492
2640 1 8 . 1 1 55 55 ASN H H 37 7.988 7.988 8.298 -0.310 18492
2641 1 8 . 1 1 56 56 PHE N N 38 121.512 121.512 121.310 0.202 18492
2642 1 8 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.048 -0.468 18492
2643 1 8 . 1 1 56 56 PHE C C 38 175.968 175.968 176.901 -0.933 18492
2644 1 8 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.746 -0.089 18492
2645 1 8 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.255 0.606 18492
2646 1 8 . 1 1 56 56 PHE H H 38 8.117 8.117 7.611 0.506 18492
2647 1 8 . 1 1 57 57 TYR N N 39 114.465 114.465 117.521 -3.056 18492
2648 1 8 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.478 0.189 18492
2649 1 8 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.150 0.698 18492
2650 1 8 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.153 0.567 18492
2651 1 8 . 1 1 57 57 TYR H H 39 7.723 7.723 7.544 0.179 18492
2652 1 8 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.299 -0.212 18492
2653 1 8 . 1 1 66 66 LEU C C 48 179.076 179.076 177.024 2.052 18492
2654 1 8 . 1 1 66 66 LEU CA C 48 57.264 57.264 56.323 0.941 18492
2655 1 8 . 1 1 66 66 LEU CB C 48 41.152 41.152 42.045 -0.893 18492
2656 1 8 . 1 1 67 67 ASP N N 49 118.908 118.908 119.902 -0.994 18492
2657 1 8 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.271 0.426 18492
2658 1 8 . 1 1 67 67 ASP C C 49 179.483 179.483 177.557 1.926 18492
2659 1 8 . 1 1 67 67 ASP CA C 49 57.486 57.486 58.069 -0.583 18492
2660 1 8 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.120 -2.042 18492
2661 1 8 . 1 1 67 67 ASP H H 49 8.630 8.630 8.389 0.241 18492
2662 1 8 . 1 1 68 68 GLU N N 50 122.261 122.261 118.534 3.727 18492
2663 1 8 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.121 0.001 18492
2664 1 8 . 1 1 68 68 GLU C C 50 179.120 179.120 178.635 0.485 18492
2665 1 8 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.626 0.756 18492
2666 1 8 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.178 0.005 18492
2667 1 8 . 1 1 68 68 GLU H H 50 7.906 7.906 7.727 0.179 18492
2668 1 8 . 1 1 69 69 ILE N N 51 120.582 120.582 122.222 -1.640 18492
2669 1 8 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.808 -0.014 18492
2670 1 8 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.605 0.124 18492
2671 1 8 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.626 -0.163 18492
2672 1 8 . 1 1 69 69 ILE H H 51 7.296 7.296 7.467 -0.171 18492
2673 1 8 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.056 0.032 18492
2674 1 8 . 1 1 70 70 LEU C C 52 180.091 180.091 179.546 0.545 18492
2675 1 8 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.612 0.239 18492
2676 1 8 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.624 0.541 18492
2677 1 8 . 1 1 71 71 GLN N N 53 121.069 121.069 118.796 2.273 18492
2678 1 8 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.028 0.152 18492
2679 1 8 . 1 1 71 71 GLN C C 53 178.551 178.551 178.419 0.132 18492
2680 1 8 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.665 0.136 18492
2681 1 8 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.164 -0.413 18492
2682 1 8 . 1 1 71 71 GLN H H 53 8.075 8.075 7.987 0.088 18492
2683 1 8 . 1 1 72 72 GLN N N 54 119.983 119.983 118.545 1.438 18492
2684 1 8 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.009 0.011 18492
2685 1 8 . 1 1 72 72 GLN C C 54 179.376 179.376 178.384 0.992 18492
2686 1 8 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.721 0.111 18492
2687 1 8 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.299 -0.221 18492
2688 1 8 . 1 1 72 72 GLN H H 54 7.900 7.900 8.193 -0.293 18492
2689 1 8 . 1 1 73 73 HIS N N 55 120.410 120.410 119.124 1.286 18492
2690 1 8 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.204 0.110 18492
2691 1 8 . 1 1 73 73 HIS C C 55 176.222 176.222 177.312 -1.090 18492
2692 1 8 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.735 0.267 18492
2693 1 8 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.009 -1.846 18492
2694 1 8 . 1 1 73 73 HIS H H 55 8.637 8.637 7.914 0.723 18492
2695 1 8 . 1 1 74 74 LYS N N 56 120.014 120.014 120.072 -0.058 18492
2696 1 8 . 1 1 74 74 LYS HA H 56 3.765 3.765 4.041 -0.276 18492
2697 1 8 . 1 1 74 74 LYS C C 56 179.024 179.024 178.803 0.221 18492
2698 1 8 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.581 0.065 18492
2699 1 8 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.519 -0.324 18492
2700 1 8 . 1 1 74 74 LYS H H 56 7.944 7.944 7.861 0.083 18492
2701 1 8 . 1 1 75 75 LEU N N 57 119.352 119.352 116.539 2.813 18492
2702 1 8 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.161 -0.107 18492
2703 1 8 . 1 1 75 75 LEU C C 57 179.386 179.386 178.926 0.460 18492
2704 1 8 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.878 -0.232 18492
2705 1 8 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.261 0.518 18492
2706 1 8 . 1 1 75 75 LEU H H 57 7.870 7.870 7.886 -0.016 18492
2707 1 8 . 1 1 76 76 LYS N N 58 121.054 121.054 119.807 1.247 18492
2708 1 8 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.967 0.001 18492
2709 1 8 . 1 1 76 76 LYS C C 58 178.872 178.872 178.685 0.187 18492
2710 1 8 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.123 0.183 18492
2711 1 8 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.102 0.151 18492
2712 1 8 . 1 1 76 76 LYS H H 58 7.943 7.943 7.928 0.015 18492
2713 1 8 . 1 1 77 77 MET N N 59 117.676 117.676 120.233 -2.557 18492
2714 1 8 . 1 1 77 77 MET HA H 59 4.164 4.164 4.118 0.046 18492
2715 1 8 . 1 1 77 77 MET C C 59 179.131 179.131 178.165 0.966 18492
2716 1 8 . 1 1 77 77 MET CA C 59 57.271 57.271 58.574 -1.303 18492
2717 1 8 . 1 1 77 77 MET CB C 59 31.676 31.676 32.447 -0.771 18492
2718 1 8 . 1 1 77 77 MET H H 59 7.910 7.910 7.791 0.119 18492
2719 1 8 . 1 1 78 78 GLU N N 60 120.695 120.695 118.741 1.954 18492
2720 1 8 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.009 -0.009 18492
2721 1 8 . 1 1 78 78 GLU C C 60 178.407 178.407 178.925 -0.518 18492
2722 1 8 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.212 0.065 18492
2723 1 8 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.176 0.293 18492
2724 1 8 . 1 1 78 78 GLU H H 60 8.005 8.005 7.782 0.223 18492
2725 1 8 . 1 1 79 79 LYS N N 61 119.944 119.944 118.741 1.203 18492
2726 1 8 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.995 0.079 18492
2727 1 8 . 1 1 79 79 LYS C C 61 179.350 179.350 179.174 0.176 18492
2728 1 8 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.415 -0.363 18492
2729 1 8 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.063 0.178 18492
2730 1 8 . 1 1 79 79 LYS H H 61 7.993 7.993 7.564 0.429 18492
2731 1 8 . 1 1 80 80 GLU N N 62 119.421 119.421 118.621 0.800 18492
2732 1 8 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.094 -0.042 18492
2733 1 8 . 1 1 80 80 GLU C C 62 178.434 178.434 178.555 -0.121 18492
2734 1 8 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.727 -0.149 18492
2735 1 8 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.176 0.335 18492
2736 1 8 . 1 1 80 80 GLU H H 62 8.011 8.011 8.376 -0.365 18492
2737 1 8 . 1 1 81 81 ARG N N 63 120.087 120.087 120.561 -0.474 18492
2738 1 8 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.077 -0.014 18492
2739 1 8 . 1 1 81 81 ARG C C 63 178.289 178.289 178.749 -0.460 18492
2740 1 8 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.117 -0.389 18492
2741 1 8 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.212 -0.228 18492
2742 1 8 . 1 1 81 81 ARG H H 63 8.038 8.038 7.610 0.428 18492
2743 1 8 . 1 1 82 82 ASN N N 64 117.835 117.835 118.069 -0.234 18492
2744 1 8 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.506 0.020 18492
2745 1 8 . 1 1 82 82 ASN C C 64 176.397 176.397 176.886 -0.489 18492
2746 1 8 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.077 -1.402 18492
2747 1 8 . 1 1 82 82 ASN CB C 64 38.495 38.495 37.961 0.534 18492
2748 1 8 . 1 1 82 82 ASN H H 64 8.176 8.176 8.329 -0.153 18492
2749 1 8 . 1 1 83 83 ALA N N 65 122.797 122.797 122.323 0.474 18492
2750 1 8 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.213 -0.009 18492
2751 1 8 . 1 1 83 83 ALA C C 65 178.776 178.776 179.016 -0.240 18492
2752 1 8 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.719 -0.962 18492
2753 1 8 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.631 0.138 18492
2754 1 8 . 1 1 83 83 ALA H H 65 7.883 7.883 7.834 0.049 18492
2755 1 8 . 1 1 84 84 ARG N N 66 118.042 118.042 117.052 0.990 18492
2756 1 8 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.152 0.061 18492
2757 1 8 . 1 1 84 84 ARG C C 66 177.040 177.040 177.957 -0.917 18492
2758 1 8 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.218 -1.148 18492
2759 1 8 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.029 0.356 18492
2760 1 8 . 1 1 84 84 ARG H H 66 7.855 7.855 8.054 -0.199 18492
2761 1 8 . 1 1 85 85 ARG N N 67 120.431 120.431 117.965 2.466 18492
2762 1 8 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.368 -0.154 18492
2763 1 8 . 1 1 85 85 ARG C C 67 176.547 176.547 175.426 1.121 18492
2764 1 8 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.962 0.924 18492
2765 1 8 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.885 -0.560 18492
2766 1 8 . 1 1 85 85 ARG H H 67 7.873 7.873 7.532 0.341 18492
2767 1 8 . 1 1 86 86 LYS N N 68 121.690 121.690 113.717 7.973 18492
2768 1 8 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.024 0.241 18492
2769 1 8 . 1 1 86 86 LYS C C 68 176.561 176.561 176.110 0.451 18492
2770 1 8 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.698 0.228 18492
2771 1 8 . 1 1 86 86 LYS CB C 68 32.886 32.886 29.576 3.310 18492
2772 1 8 . 1 1 86 86 LYS H H 68 8.040 8.040 7.372 0.668 18492
2773 1 8 . 1 1 87 87 LYS N N 69 122.486 122.486 121.247 1.239 18492
2774 1 8 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.239 0.030 18492
2775 1 8 . 1 1 87 87 LYS C C 69 176.383 176.383 175.177 1.206 18492
2776 1 8 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.220 0.280 18492
2777 1 8 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.508 1.592 18492
2778 1 8 . 1 1 87 87 LYS H H 69 8.116 8.116 7.915 0.201 18492
2779 1 8 . 1 1 88 88 LYS N N 70 123.589 123.589 122.338 1.251 18492
2780 1 8 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.428 -0.181 18492
2781 1 8 . 1 1 88 88 LYS C C 70 175.618 175.618 174.983 0.635 18492
2782 1 8 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.671 1.022 18492
2783 1 8 . 1 1 88 88 LYS CB C 70 33.089 33.089 34.907 -1.818 18492
2784 1 8 . 1 1 88 88 LYS H H 70 8.247 8.247 7.829 0.418 18492
2785 1 9 . 1 1 20 20 THR N N 2 114.872 114.872 119.245 -4.373 18492
2786 1 9 . 1 1 20 20 THR HA H 2 4.639 4.639 4.538 0.101 18492
2787 1 9 . 1 1 20 20 THR C C 2 175.858 175.858 175.464 0.394 18492
2788 1 9 . 1 1 20 20 THR CA C 2 59.992 59.992 62.504 -2.512 18492
2789 1 9 . 1 1 20 20 THR CB C 2 71.359 71.359 70.550 0.809 18492
2790 1 9 . 1 1 20 20 THR H H 2 9.423 9.423 8.297 1.126 18492
2791 1 9 . 1 1 21 21 GLU N N 3 121.694 121.694 123.040 -1.346 18492
2792 1 9 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.992 0.027 18492
2793 1 9 . 1 1 21 21 GLU C C 3 179.808 179.808 178.377 1.431 18492
2794 1 9 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.602 0.640 18492
2795 1 9 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.442 -0.109 18492
2796 1 9 . 1 1 21 21 GLU H H 3 9.120 9.120 9.023 0.097 18492
2797 1 9 . 1 1 22 22 GLU N N 4 120.617 120.617 118.514 2.103 18492
2798 1 9 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.069 0.033 18492
2799 1 9 . 1 1 22 22 GLU C C 4 179.604 179.604 178.889 0.715 18492
2800 1 9 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.221 0.682 18492
2801 1 9 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.925 0.244 18492
2802 1 9 . 1 1 22 22 GLU H H 4 8.735 8.735 8.796 -0.061 18492
2803 1 9 . 1 1 23 23 GLU N N 5 120.811 120.811 119.037 1.774 18492
2804 1 9 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.122 -0.048 18492
2805 1 9 . 1 1 23 23 GLU C C 5 179.511 179.511 179.000 0.511 18492
2806 1 9 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.620 0.847 18492
2807 1 9 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.839 2.574 18492
2808 1 9 . 1 1 23 23 GLU H H 5 7.887 7.887 8.002 -0.115 18492
2809 1 9 . 1 1 24 24 MET N N 6 117.260 117.260 120.687 -3.427 18492
2810 1 9 . 1 1 24 24 MET HA H 6 3.665 3.665 4.316 -0.651 18492
2811 1 9 . 1 1 24 24 MET C C 6 178.480 178.480 178.335 0.145 18492
2812 1 9 . 1 1 24 24 MET CA C 6 60.134 60.134 57.600 2.534 18492
2813 1 9 . 1 1 24 24 MET CB C 6 33.059 33.059 32.365 0.694 18492
2814 1 9 . 1 1 24 24 MET H H 6 8.607 8.607 8.537 0.070 18492
2815 1 9 . 1 1 25 25 GLY N N 7 106.564 106.564 105.838 0.726 18492
2816 1 9 . 1 1 25 25 GLY C C 7 177.376 177.376 176.046 1.330 18492
2817 1 9 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.254 0.078 18492
2818 1 9 . 1 1 25 25 GLY H H 7 8.494 8.494 8.004 0.490 18492
2819 1 9 . 1 1 26 26 THR N N 8 121.127 121.127 118.280 2.847 18492
2820 1 9 . 1 1 26 26 THR HA H 8 3.956 3.956 4.054 -0.098 18492
2821 1 9 . 1 1 26 26 THR C C 8 175.895 175.895 175.987 -0.092 18492
2822 1 9 . 1 1 26 26 THR CA C 8 66.737 66.737 65.846 0.891 18492
2823 1 9 . 1 1 26 26 THR CB C 8 67.623 67.623 68.664 -1.041 18492
2824 1 9 . 1 1 26 26 THR H H 8 8.242 8.242 7.898 0.344 18492
2825 1 9 . 1 1 27 27 ALA N N 9 125.226 125.226 125.494 -0.268 18492
2826 1 9 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.061 -0.182 18492
2827 1 9 . 1 1 27 27 ALA C C 9 179.361 179.361 178.791 0.570 18492
2828 1 9 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.223 0.521 18492
2829 1 9 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.072 -0.383 18492
2830 1 9 . 1 1 27 27 ALA H H 9 8.605 8.605 7.971 0.634 18492
2831 1 9 . 1 1 28 28 LYS N N 10 116.449 116.449 118.376 -1.927 18492
2832 1 9 . 1 1 28 28 LYS HA H 10 3.894 3.894 3.988 -0.094 18492
2833 1 9 . 1 1 28 28 LYS C C 10 179.264 179.264 178.591 0.673 18492
2834 1 9 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.606 1.648 18492
2835 1 9 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.347 -0.155 18492
2836 1 9 . 1 1 28 28 LYS H H 10 8.149 8.149 8.266 -0.117 18492
2837 1 9 . 1 1 29 29 LYS N N 11 121.248 121.248 118.625 2.623 18492
2838 1 9 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.114 -0.087 18492
2839 1 9 . 1 1 29 29 LYS C C 11 179.168 179.168 178.619 0.549 18492
2840 1 9 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.693 0.918 18492
2841 1 9 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.984 0.125 18492
2842 1 9 . 1 1 29 29 LYS H H 11 7.747 7.747 7.817 -0.070 18492
2843 1 9 . 1 1 30 30 GLY N N 12 108.727 108.727 107.634 1.093 18492
2844 1 9 . 1 1 30 30 GLY C C 12 174.800 174.800 176.268 -1.468 18492
2845 1 9 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.157 1.862 18492
2846 1 9 . 1 1 30 30 GLY H H 12 8.838 8.838 7.950 0.888 18492
2847 1 9 . 1 1 31 31 LEU N N 13 124.189 124.189 122.444 1.745 18492
2848 1 9 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.320 -0.231 18492
2849 1 9 . 1 1 31 31 LEU C C 13 179.023 179.023 179.266 -0.243 18492
2850 1 9 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.680 0.799 18492
2851 1 9 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.675 0.881 18492
2852 1 9 . 1 1 31 31 LEU H H 13 8.520 8.520 8.325 0.195 18492
2853 1 9 . 1 1 32 32 LEU N N 14 119.512 119.512 119.670 -0.158 18492
2854 1 9 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.954 0.004 18492
2855 1 9 . 1 1 32 32 LEU C C 14 178.844 178.844 177.891 0.953 18492
2856 1 9 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.779 0.156 18492
2857 1 9 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.832 -0.167 18492
2858 1 9 . 1 1 32 32 LEU H H 14 7.322 7.322 7.910 -0.588 18492
2859 1 9 . 1 1 33 33 GLU N N 15 117.254 117.254 117.061 0.193 18492
2860 1 9 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.831 0.171 18492
2861 1 9 . 1 1 33 33 GLU C C 15 178.636 178.636 179.035 -0.399 18492
2862 1 9 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.617 0.060 18492
2863 1 9 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.261 1.162 18492
2864 1 9 . 1 1 33 33 GLU H H 15 7.940 7.940 7.987 -0.048 18492
2865 1 9 . 1 1 34 34 HIS N N 16 113.397 113.397 115.894 -2.497 18492
2866 1 9 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.306 0.460 18492
2867 1 9 . 1 1 34 34 HIS C C 16 176.465 176.465 176.371 0.094 18492
2868 1 9 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.795 -2.268 18492
2869 1 9 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.591 1.803 18492
2870 1 9 . 1 1 34 34 HIS H H 16 8.732 8.732 7.685 1.047 18492
2871 1 9 . 1 1 35 35 GLY N N 17 112.392 112.392 107.072 5.320 18492
2872 1 9 . 1 1 35 35 GLY C C 17 172.914 172.914 174.086 -1.172 18492
2873 1 9 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.511 1.220 18492
2874 1 9 . 1 1 35 35 GLY H H 17 7.475 7.475 7.709 -0.234 18492
2875 1 9 . 1 1 36 36 ARG N N 18 121.605 121.605 122.239 -0.634 18492
2876 1 9 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.691 -1.006 18492
2877 1 9 . 1 1 36 36 ARG C C 18 174.673 174.673 174.636 0.037 18492
2878 1 9 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.912 -0.236 18492
2879 1 9 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.269 -0.499 18492
2880 1 9 . 1 1 36 36 ARG H H 18 7.805 7.805 8.294 -0.489 18492
2881 1 9 . 1 1 37 37 ASN N N 19 118.725 118.725 120.860 -2.135 18492
2882 1 9 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.507 -0.047 18492
2883 1 9 . 1 1 37 37 ASN C C 19 175.272 175.272 175.175 0.097 18492
2884 1 9 . 1 1 37 37 ASN CA C 19 50.354 50.354 51.548 -1.194 18492
2885 1 9 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.316 -0.141 18492
2886 1 9 . 1 1 37 37 ASN H H 19 6.939 6.939 7.603 -0.664 18492
2887 1 9 . 1 1 38 38 TRP N N 20 123.054 123.054 124.926 -1.872 18492
2888 1 9 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.370 0.042 18492
2889 1 9 . 1 1 38 38 TRP C C 20 177.950 177.950 178.034 -0.084 18492
2890 1 9 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.465 -1.663 18492
2891 1 9 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.049 1.551 18492
2892 1 9 . 1 1 38 38 TRP H H 20 7.064 7.064 7.661 -0.597 18492
2893 1 9 . 1 1 39 39 SER N N 21 112.959 112.959 114.099 -1.140 18492
2894 1 9 . 1 1 39 39 SER HA H 21 4.171 4.171 4.124 0.047 18492
2895 1 9 . 1 1 39 39 SER C C 21 176.653 176.653 176.464 0.189 18492
2896 1 9 . 1 1 39 39 SER CA C 21 61.632 61.632 61.545 0.087 18492
2897 1 9 . 1 1 39 39 SER CB C 21 62.389 62.389 62.663 -0.275 18492
2898 1 9 . 1 1 39 39 SER H H 21 8.526 8.526 8.397 0.129 18492
2899 1 9 . 1 1 40 40 ALA N N 22 124.572 124.572 123.747 0.825 18492
2900 1 9 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.000 -0.191 18492
2901 1 9 . 1 1 40 40 ALA C C 22 180.307 180.307 179.997 0.310 18492
2902 1 9 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.817 -0.481 18492
2903 1 9 . 1 1 40 40 ALA CB C 22 16.820 16.820 17.948 -1.128 18492
2904 1 9 . 1 1 40 40 ALA H H 22 7.130 7.130 7.531 -0.401 18492
2905 1 9 . 1 1 41 41 ILE N N 23 118.436 118.436 117.597 0.839 18492
2906 1 9 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.787 -0.202 18492
2907 1 9 . 1 1 41 41 ILE C C 23 177.684 177.684 177.690 -0.006 18492
2908 1 9 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.981 3.890 18492
2909 1 9 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.652 1.800 18492
2910 1 9 . 1 1 41 41 ILE H H 23 7.750 7.750 7.929 -0.179 18492
2911 1 9 . 1 1 42 42 ALA N N 24 122.987 122.987 122.420 0.567 18492
2912 1 9 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.138 -0.218 18492
2913 1 9 . 1 1 42 42 ALA C C 24 180.335 180.335 179.701 0.634 18492
2914 1 9 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.169 0.933 18492
2915 1 9 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.372 -0.038 18492
2916 1 9 . 1 1 42 42 ALA H H 24 8.730 8.730 8.101 0.629 18492
2917 1 9 . 1 1 43 43 ARG N N 25 117.188 117.188 117.560 -0.372 18492
2918 1 9 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.226 -0.204 18492
2919 1 9 . 1 1 43 43 ARG C C 25 178.559 178.559 178.864 -0.305 18492
2920 1 9 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.714 0.352 18492
2921 1 9 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.347 -0.393 18492
2922 1 9 . 1 1 43 43 ARG H H 25 7.511 7.511 7.918 -0.407 18492
2923 1 9 . 1 1 44 44 MET N N 26 117.388 117.388 120.161 -2.773 18492
2924 1 9 . 1 1 44 44 MET HA H 26 4.029 4.029 4.238 -0.209 18492
2925 1 9 . 1 1 44 44 MET C C 26 177.655 177.655 177.455 0.200 18492
2926 1 9 . 1 1 44 44 MET CA C 26 58.926 58.926 58.895 0.031 18492
2927 1 9 . 1 1 44 44 MET CB C 26 34.267 34.267 32.910 1.357 18492
2928 1 9 . 1 1 44 44 MET H H 26 7.399 7.399 7.743 -0.344 18492
2929 1 9 . 1 1 45 45 VAL N N 27 119.232 119.232 114.654 4.578 18492
2930 1 9 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.247 -0.666 18492
2931 1 9 . 1 1 45 45 VAL C C 27 178.991 178.991 177.677 1.314 18492
2932 1 9 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.257 1.502 18492
2933 1 9 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.077 0.328 18492
2934 1 9 . 1 1 45 45 VAL H H 27 8.526 8.526 8.095 0.431 18492
2935 1 9 . 1 1 46 46 GLY N N 28 108.996 108.996 107.813 1.183 18492
2936 1 9 . 1 1 46 46 GLY C C 28 175.739 175.739 175.152 0.587 18492
2937 1 9 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.061 2.189 18492
2938 1 9 . 1 1 46 46 GLY H H 28 8.663 8.663 7.781 0.882 18492
2939 1 9 . 1 1 47 47 SER N N 29 112.827 112.827 113.050 -0.223 18492
2940 1 9 . 1 1 47 47 SER HA H 29 4.291 4.291 4.383 -0.092 18492
2941 1 9 . 1 1 47 47 SER C C 29 173.701 173.701 173.685 0.016 18492
2942 1 9 . 1 1 47 47 SER CA C 29 57.352 57.352 59.757 -2.405 18492
2943 1 9 . 1 1 47 47 SER CB C 29 62.198 62.198 61.956 0.242 18492
2944 1 9 . 1 1 47 47 SER H H 29 7.948 7.948 7.908 0.040 18492
2945 1 9 . 1 1 48 48 LYS N N 30 119.562 119.562 118.053 1.509 18492
2946 1 9 . 1 1 48 48 LYS H H 30 6.655 6.655 7.839 -1.184 18492
2947 1 9 . 1 1 49 49 THR N N 31 111.264 111.264 116.451 -5.187 18492
2948 1 9 . 1 1 49 49 THR HA H 31 4.377 4.377 4.382 -0.005 18492
2949 1 9 . 1 1 49 49 THR C C 31 176.481 176.481 176.599 -0.118 18492
2950 1 9 . 1 1 49 49 THR CA C 31 60.302 60.302 62.727 -2.425 18492
2951 1 9 . 1 1 49 49 THR CB C 31 72.012 72.012 69.373 2.639 18492
2952 1 9 . 1 1 49 49 THR H H 31 8.900 8.900 8.330 0.570 18492
2953 1 9 . 1 1 50 50 VAL N N 32 121.079 121.079 126.624 -5.545 18492
2954 1 9 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.715 -0.195 18492
2955 1 9 . 1 1 50 50 VAL C C 32 177.818 177.818 177.352 0.466 18492
2956 1 9 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.852 2.213 18492
2957 1 9 . 1 1 50 50 VAL CB C 32 31.830 31.830 32.006 -0.176 18492
2958 1 9 . 1 1 50 50 VAL H H 32 8.697 8.697 8.719 -0.022 18492
2959 1 9 . 1 1 51 51 SER N N 33 113.769 113.769 114.395 -0.626 18492
2960 1 9 . 1 1 51 51 SER HA H 33 3.995 3.995 4.134 -0.139 18492
2961 1 9 . 1 1 51 51 SER C C 33 177.346 177.346 176.807 0.539 18492
2962 1 9 . 1 1 51 51 SER CA C 33 61.640 61.640 61.767 -0.127 18492
2963 1 9 . 1 1 51 51 SER CB C 33 62.431 62.431 62.531 -0.100 18492
2964 1 9 . 1 1 51 51 SER H H 33 8.334 8.334 8.274 0.060 18492
2965 1 9 . 1 1 52 52 GLN N N 34 120.084 120.084 120.352 -0.268 18492
2966 1 9 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.173 0.130 18492
2967 1 9 . 1 1 52 52 GLN C C 34 180.343 180.343 178.440 1.903 18492
2968 1 9 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.126 0.156 18492
2969 1 9 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.515 1.047 18492
2970 1 9 . 1 1 52 52 GLN H H 34 7.781 7.781 7.947 -0.166 18492
2971 1 9 . 1 1 53 53 CYS N N 35 120.950 120.950 117.766 3.184 18492
2972 1 9 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.546 -0.087 18492
2973 1 9 . 1 1 53 53 CYS C C 35 175.170 175.170 176.848 -1.678 18492
2974 1 9 . 1 1 53 53 CYS CA C 35 65.582 65.582 61.151 4.431 18492
2975 1 9 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.060 0.054 18492
2976 1 9 . 1 1 53 53 CYS H H 35 8.748 8.748 7.892 0.856 18492
2977 1 9 . 1 1 54 54 LYS N N 36 120.488 120.488 120.765 -0.277 18492
2978 1 9 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.512 -1.287 18492
2979 1 9 . 1 1 54 54 LYS C C 36 177.848 177.848 178.986 -1.138 18492
2980 1 9 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.934 -0.473 18492
2981 1 9 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.044 -0.110 18492
2982 1 9 . 1 1 54 54 LYS H H 36 7.790 7.790 7.605 0.185 18492
2983 1 9 . 1 1 55 55 ASN N N 37 116.085 116.085 117.901 -1.816 18492
2984 1 9 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.566 -0.142 18492
2985 1 9 . 1 1 55 55 ASN C C 37 177.149 177.149 177.531 -0.382 18492
2986 1 9 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.914 0.172 18492
2987 1 9 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.723 -0.254 18492
2988 1 9 . 1 1 55 55 ASN H H 37 7.988 7.988 8.246 -0.258 18492
2989 1 9 . 1 1 56 56 PHE N N 38 121.512 121.512 121.570 -0.058 18492
2990 1 9 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.045 -0.465 18492
2991 1 9 . 1 1 56 56 PHE C C 38 175.968 175.968 177.112 -1.144 18492
2992 1 9 . 1 1 56 56 PHE CA C 38 60.657 60.657 61.220 -0.563 18492
2993 1 9 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.779 0.082 18492
2994 1 9 . 1 1 56 56 PHE H H 38 8.117 8.117 8.310 -0.193 18492
2995 1 9 . 1 1 57 57 TYR N N 39 114.465 114.465 118.473 -4.008 18492
2996 1 9 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.531 0.136 18492
2997 1 9 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.802 0.046 18492
2998 1 9 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.533 0.187 18492
2999 1 9 . 1 1 57 57 TYR H H 39 7.723 7.723 7.691 0.032 18492
3000 1 9 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.106 -0.019 18492
3001 1 9 . 1 1 66 66 LEU C C 48 179.076 179.076 177.659 1.417 18492
3002 1 9 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.731 -0.467 18492
3003 1 9 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.554 -0.402 18492
3004 1 9 . 1 1 67 67 ASP N N 49 118.908 118.908 119.030 -0.122 18492
3005 1 9 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.344 0.353 18492
3006 1 9 . 1 1 67 67 ASP C C 49 179.483 179.483 177.973 1.510 18492
3007 1 9 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.645 -0.159 18492
3008 1 9 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.026 -1.948 18492
3009 1 9 . 1 1 67 67 ASP H H 49 8.630 8.630 8.456 0.174 18492
3010 1 9 . 1 1 68 68 GLU N N 50 122.261 122.261 119.858 2.403 18492
3011 1 9 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.138 -0.016 18492
3012 1 9 . 1 1 68 68 GLU C C 50 179.120 179.120 178.868 0.252 18492
3013 1 9 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.922 0.459 18492
3014 1 9 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.663 -0.480 18492
3015 1 9 . 1 1 68 68 GLU H H 50 7.906 7.906 7.627 0.279 18492
3016 1 9 . 1 1 69 69 ILE N N 51 120.582 120.582 120.543 0.039 18492
3017 1 9 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.691 0.103 18492
3018 1 9 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.372 -0.643 18492
3019 1 9 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.789 -0.326 18492
3020 1 9 . 1 1 69 69 ILE H H 51 7.296 7.296 7.591 -0.295 18492
3021 1 9 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.084 0.004 18492
3022 1 9 . 1 1 70 70 LEU C C 52 180.091 180.091 179.522 0.569 18492
3023 1 9 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.603 0.248 18492
3024 1 9 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.580 0.585 18492
3025 1 9 . 1 1 71 71 GLN N N 53 121.069 121.069 118.785 2.284 18492
3026 1 9 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.977 0.203 18492
3027 1 9 . 1 1 71 71 GLN C C 53 178.551 178.551 178.432 0.119 18492
3028 1 9 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.745 0.056 18492
3029 1 9 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.194 -0.443 18492
3030 1 9 . 1 1 71 71 GLN H H 53 8.075 8.075 7.754 0.321 18492
3031 1 9 . 1 1 72 72 GLN N N 54 119.983 119.983 118.174 1.809 18492
3032 1 9 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.981 0.039 18492
3033 1 9 . 1 1 72 72 GLN C C 54 179.376 179.376 178.463 0.913 18492
3034 1 9 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.840 -0.008 18492
3035 1 9 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.354 -0.276 18492
3036 1 9 . 1 1 72 72 GLN H H 54 7.900 7.900 8.310 -0.410 18492
3037 1 9 . 1 1 73 73 HIS N N 55 120.410 120.410 119.955 0.455 18492
3038 1 9 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.110 0.204 18492
3039 1 9 . 1 1 73 73 HIS C C 55 176.222 176.222 177.343 -1.121 18492
3040 1 9 . 1 1 73 73 HIS CA C 55 60.002 60.002 60.044 -0.042 18492
3041 1 9 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.863 -1.700 18492
3042 1 9 . 1 1 73 73 HIS H H 55 8.637 8.637 7.957 0.680 18492
3043 1 9 . 1 1 74 74 LYS N N 56 120.014 120.014 119.776 0.238 18492
3044 1 9 . 1 1 74 74 LYS HA H 56 3.765 3.765 4.005 -0.240 18492
3045 1 9 . 1 1 74 74 LYS C C 56 179.024 179.024 178.800 0.224 18492
3046 1 9 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.795 -0.149 18492
3047 1 9 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.565 -0.369 18492
3048 1 9 . 1 1 74 74 LYS H H 56 7.944 7.944 7.895 0.049 18492
3049 1 9 . 1 1 75 75 LEU N N 57 119.352 119.352 116.376 2.976 18492
3050 1 9 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.200 -0.146 18492
3051 1 9 . 1 1 75 75 LEU C C 57 179.386 179.386 179.000 0.386 18492
3052 1 9 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.790 -0.144 18492
3053 1 9 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.288 0.491 18492
3054 1 9 . 1 1 75 75 LEU H H 57 7.870 7.870 7.775 0.095 18492
3055 1 9 . 1 1 76 76 LYS N N 58 121.054 121.054 120.224 0.830 18492
3056 1 9 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.921 0.047 18492
3057 1 9 . 1 1 76 76 LYS C C 58 178.872 178.872 178.886 -0.014 18492
3058 1 9 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.481 -0.175 18492
3059 1 9 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.154 0.099 18492
3060 1 9 . 1 1 76 76 LYS H H 58 7.943 7.943 8.144 -0.201 18492
3061 1 9 . 1 1 77 77 MET N N 59 117.676 117.676 118.964 -1.288 18492
3062 1 9 . 1 1 77 77 MET HA H 59 4.164 4.164 4.085 0.079 18492
3063 1 9 . 1 1 77 77 MET C C 59 179.131 179.131 178.112 1.019 18492
3064 1 9 . 1 1 77 77 MET CA C 59 57.271 57.271 58.415 -1.144 18492
3065 1 9 . 1 1 77 77 MET CB C 59 31.676 31.676 32.516 -0.840 18492
3066 1 9 . 1 1 77 77 MET H H 59 7.910 7.910 7.624 0.286 18492
3067 1 9 . 1 1 78 78 GLU N N 60 120.695 120.695 119.823 0.872 18492
3068 1 9 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.030 -0.030 18492
3069 1 9 . 1 1 78 78 GLU C C 60 178.407 178.407 178.448 -0.041 18492
3070 1 9 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.604 -0.326 18492
3071 1 9 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.305 0.164 18492
3072 1 9 . 1 1 78 78 GLU H H 60 8.005 8.005 8.006 -0.001 18492
3073 1 9 . 1 1 79 79 LYS N N 61 119.944 119.944 118.434 1.510 18492
3074 1 9 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.018 0.056 18492
3075 1 9 . 1 1 79 79 LYS C C 61 179.350 179.350 178.912 0.438 18492
3076 1 9 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.320 -0.268 18492
3077 1 9 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.193 0.049 18492
3078 1 9 . 1 1 79 79 LYS H H 61 7.993 7.993 7.844 0.149 18492
3079 1 9 . 1 1 80 80 GLU N N 62 119.421 119.421 119.061 0.360 18492
3080 1 9 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.050 0.002 18492
3081 1 9 . 1 1 80 80 GLU C C 62 178.434 178.434 178.554 -0.120 18492
3082 1 9 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.803 -0.225 18492
3083 1 9 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.015 0.496 18492
3084 1 9 . 1 1 80 80 GLU H H 62 8.011 8.011 7.809 0.202 18492
3085 1 9 . 1 1 81 81 ARG N N 63 120.087 120.087 120.674 -0.587 18492
3086 1 9 . 1 1 81 81 ARG HA H 63 4.063 4.063 3.952 0.111 18492
3087 1 9 . 1 1 81 81 ARG C C 63 178.289 178.289 178.633 -0.344 18492
3088 1 9 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.307 -0.578 18492
3089 1 9 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.155 -0.171 18492
3090 1 9 . 1 1 81 81 ARG H H 63 8.038 8.038 7.769 0.269 18492
3091 1 9 . 1 1 82 82 ASN N N 64 117.835 117.835 117.489 0.346 18492
3092 1 9 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.488 0.038 18492
3093 1 9 . 1 1 82 82 ASN C C 64 176.397 176.397 177.254 -0.857 18492
3094 1 9 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.867 -1.192 18492
3095 1 9 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.271 0.224 18492
3096 1 9 . 1 1 82 82 ASN H H 64 8.176 8.176 7.837 0.339 18492
3097 1 9 . 1 1 83 83 ALA N N 65 122.797 122.797 122.246 0.551 18492
3098 1 9 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.062 0.142 18492
3099 1 9 . 1 1 83 83 ALA C C 65 178.776 178.776 179.254 -0.478 18492
3100 1 9 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.746 -0.988 18492
3101 1 9 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.735 0.034 18492
3102 1 9 . 1 1 83 83 ALA H H 65 7.883 7.883 7.588 0.295 18492
3103 1 9 . 1 1 84 84 ARG N N 66 118.042 118.042 116.348 1.694 18492
3104 1 9 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.118 0.095 18492
3105 1 9 . 1 1 84 84 ARG C C 66 177.040 177.040 177.730 -0.690 18492
3106 1 9 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.276 -1.206 18492
3107 1 9 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.183 0.202 18492
3108 1 9 . 1 1 84 84 ARG H H 66 7.855 7.855 8.153 -0.298 18492
3109 1 9 . 1 1 85 85 ARG N N 67 120.431 120.431 118.664 1.767 18492
3110 1 9 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.466 -0.252 18492
3111 1 9 . 1 1 85 85 ARG C C 67 176.547 176.547 176.688 -0.141 18492
3112 1 9 . 1 1 85 85 ARG CA C 67 56.886 56.886 56.624 0.262 18492
3113 1 9 . 1 1 85 85 ARG CB C 67 30.325 30.325 31.600 -1.275 18492
3114 1 9 . 1 1 85 85 ARG H H 67 7.873 7.873 7.548 0.325 18492
3115 1 9 . 1 1 86 86 LYS N N 68 121.690 121.690 123.058 -1.368 18492
3116 1 9 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.275 -0.010 18492
3117 1 9 . 1 1 86 86 LYS C C 68 176.561 176.561 175.343 1.218 18492
3118 1 9 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.709 1.217 18492
3119 1 9 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.008 0.878 18492
3120 1 9 . 1 1 86 86 LYS H H 68 8.040 8.040 8.004 0.036 18492
3121 1 9 . 1 1 87 87 LYS N N 69 122.486 122.486 128.036 -5.550 18492
3122 1 9 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.276 -0.007 18492
3123 1 9 . 1 1 87 87 LYS C C 69 176.383 176.383 175.879 0.504 18492
3124 1 9 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.445 0.055 18492
3125 1 9 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.915 1.185 18492
3126 1 9 . 1 1 87 87 LYS H H 69 8.116 8.116 7.916 0.200 18492
3127 1 9 . 1 1 88 88 LYS N N 70 123.589 123.589 126.152 -2.563 18492
3128 1 9 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.593 -0.346 18492
3129 1 9 . 1 1 88 88 LYS C C 70 175.618 175.618 175.935 -0.317 18492
3130 1 9 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.585 1.108 18492
3131 1 9 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.841 -0.752 18492
3132 1 9 . 1 1 88 88 LYS H H 70 8.247 8.247 8.130 0.117 18492
3133 1 10 . 1 1 20 20 THR N N 2 114.872 114.872 119.859 -4.987 18492
3134 1 10 . 1 1 20 20 THR HA H 2 4.639 4.639 4.448 0.191 18492
3135 1 10 . 1 1 20 20 THR C C 2 175.858 175.858 175.499 0.359 18492
3136 1 10 . 1 1 20 20 THR CA C 2 59.992 59.992 62.269 -2.277 18492
3137 1 10 . 1 1 20 20 THR CB C 2 71.359 71.359 70.070 1.289 18492
3138 1 10 . 1 1 20 20 THR H H 2 9.423 9.423 8.434 0.989 18492
3139 1 10 . 1 1 21 21 GLU N N 3 121.694 121.694 123.624 -1.930 18492
3140 1 10 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.031 -0.012 18492
3141 1 10 . 1 1 21 21 GLU C C 3 179.808 179.808 178.889 0.919 18492
3142 1 10 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.736 0.506 18492
3143 1 10 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.470 -0.137 18492
3144 1 10 . 1 1 21 21 GLU H H 3 9.120 9.120 9.044 0.076 18492
3145 1 10 . 1 1 22 22 GLU N N 4 120.617 120.617 118.980 1.637 18492
3146 1 10 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.076 0.026 18492
3147 1 10 . 1 1 22 22 GLU C C 4 179.604 179.604 178.844 0.760 18492
3148 1 10 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.549 0.354 18492
3149 1 10 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.216 -0.047 18492
3150 1 10 . 1 1 22 22 GLU H H 4 8.735 8.735 8.772 -0.037 18492
3151 1 10 . 1 1 23 23 GLU N N 5 120.811 120.811 118.720 2.091 18492
3152 1 10 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.207 -0.133 18492
3153 1 10 . 1 1 23 23 GLU C C 5 179.511 179.511 178.999 0.512 18492
3154 1 10 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.538 0.929 18492
3155 1 10 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.263 2.150 18492
3156 1 10 . 1 1 23 23 GLU H H 5 7.887 7.887 7.843 0.044 18492
3157 1 10 . 1 1 24 24 MET N N 6 117.260 117.260 119.491 -2.231 18492
3158 1 10 . 1 1 24 24 MET HA H 6 3.665 3.665 4.225 -0.560 18492
3159 1 10 . 1 1 24 24 MET C C 6 178.480 178.480 179.021 -0.541 18492
3160 1 10 . 1 1 24 24 MET CA C 6 60.134 60.134 57.783 2.351 18492
3161 1 10 . 1 1 24 24 MET CB C 6 33.059 33.059 31.624 1.435 18492
3162 1 10 . 1 1 24 24 MET H H 6 8.607 8.607 8.862 -0.255 18492
3163 1 10 . 1 1 25 25 GLY N N 7 106.564 106.564 106.398 0.166 18492
3164 1 10 . 1 1 25 25 GLY C C 7 177.376 177.376 176.109 1.267 18492
3165 1 10 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.415 -0.083 18492
3166 1 10 . 1 1 25 25 GLY H H 7 8.494 8.494 8.235 0.259 18492
3167 1 10 . 1 1 26 26 THR N N 8 121.127 121.127 118.332 2.795 18492
3168 1 10 . 1 1 26 26 THR HA H 8 3.956 3.956 4.073 -0.117 18492
3169 1 10 . 1 1 26 26 THR C C 8 175.895 175.895 176.128 -0.233 18492
3170 1 10 . 1 1 26 26 THR CA C 8 66.737 66.737 66.072 0.665 18492
3171 1 10 . 1 1 26 26 THR CB C 8 67.623 67.623 68.453 -0.830 18492
3172 1 10 . 1 1 26 26 THR H H 8 8.242 8.242 7.824 0.418 18492
3173 1 10 . 1 1 27 27 ALA N N 9 125.226 125.226 124.776 0.450 18492
3174 1 10 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.059 -0.180 18492
3175 1 10 . 1 1 27 27 ALA C C 9 179.361 179.361 179.005 0.356 18492
3176 1 10 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.097 0.647 18492
3177 1 10 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.869 -0.180 18492
3178 1 10 . 1 1 27 27 ALA H H 9 8.605 8.605 8.134 0.471 18492
3179 1 10 . 1 1 28 28 LYS N N 10 116.449 116.449 118.769 -2.320 18492
3180 1 10 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.083 -0.189 18492
3181 1 10 . 1 1 28 28 LYS C C 10 179.264 179.264 178.567 0.697 18492
3182 1 10 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.207 2.047 18492
3183 1 10 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.325 -0.133 18492
3184 1 10 . 1 1 28 28 LYS H H 10 8.149 8.149 8.251 -0.102 18492
3185 1 10 . 1 1 29 29 LYS N N 11 121.248 121.248 118.479 2.769 18492
3186 1 10 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.116 -0.089 18492
3187 1 10 . 1 1 29 29 LYS C C 11 179.168 179.168 178.628 0.540 18492
3188 1 10 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.481 1.130 18492
3189 1 10 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.977 0.132 18492
3190 1 10 . 1 1 29 29 LYS H H 11 7.747 7.747 8.054 -0.307 18492
3191 1 10 . 1 1 30 30 GLY N N 12 108.727 108.727 108.123 0.604 18492
3192 1 10 . 1 1 30 30 GLY C C 12 174.800 174.800 176.076 -1.276 18492
3193 1 10 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.207 1.812 18492
3194 1 10 . 1 1 30 30 GLY H H 12 8.838 8.838 7.889 0.949 18492
3195 1 10 . 1 1 31 31 LEU N N 13 124.189 124.189 122.557 1.632 18492
3196 1 10 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.402 -0.313 18492
3197 1 10 . 1 1 31 31 LEU C C 13 179.023 179.023 179.119 -0.096 18492
3198 1 10 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.854 0.625 18492
3199 1 10 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.959 0.596 18492
3200 1 10 . 1 1 31 31 LEU H H 13 8.520 8.520 8.119 0.401 18492
3201 1 10 . 1 1 32 32 LEU N N 14 119.512 119.512 118.807 0.705 18492
3202 1 10 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.755 0.203 18492
3203 1 10 . 1 1 32 32 LEU C C 14 178.844 178.844 178.116 0.728 18492
3204 1 10 . 1 1 32 32 LEU CA C 14 57.935 57.935 58.010 -0.075 18492
3205 1 10 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.762 -0.097 18492
3206 1 10 . 1 1 32 32 LEU H H 14 7.322 7.322 7.858 -0.536 18492
3207 1 10 . 1 1 33 33 GLU N N 15 117.254 117.254 116.095 1.159 18492
3208 1 10 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.694 0.308 18492
3209 1 10 . 1 1 33 33 GLU C C 15 178.636 178.636 178.523 0.113 18492
3210 1 10 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.233 0.444 18492
3211 1 10 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.458 0.965 18492
3212 1 10 . 1 1 33 33 GLU H H 15 7.940 7.940 7.539 0.401 18492
3213 1 10 . 1 1 34 34 HIS N N 16 113.397 113.397 115.293 -1.896 18492
3214 1 10 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.573 0.193 18492
3215 1 10 . 1 1 34 34 HIS C C 16 176.465 176.465 175.942 0.523 18492
3216 1 10 . 1 1 34 34 HIS CA C 16 55.527 55.527 56.836 -1.309 18492
3217 1 10 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.512 1.881 18492
3218 1 10 . 1 1 34 34 HIS H H 16 8.732 8.732 7.979 0.753 18492
3219 1 10 . 1 1 35 35 GLY N N 17 112.392 112.392 108.003 4.389 18492
3220 1 10 . 1 1 35 35 GLY C C 17 172.914 172.914 173.902 -0.988 18492
3221 1 10 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.562 1.169 18492
3222 1 10 . 1 1 35 35 GLY H H 17 7.475 7.475 7.297 0.178 18492
3223 1 10 . 1 1 36 36 ARG N N 18 121.605 121.605 119.608 1.997 18492
3224 1 10 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.825 -1.140 18492
3225 1 10 . 1 1 36 36 ARG C C 18 174.673 174.673 174.627 0.046 18492
3226 1 10 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.897 -0.221 18492
3227 1 10 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.589 -1.819 18492
3228 1 10 . 1 1 36 36 ARG H H 18 7.805 7.805 8.259 -0.454 18492
3229 1 10 . 1 1 37 37 ASN N N 19 118.725 118.725 120.017 -1.292 18492
3230 1 10 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.351 0.109 18492
3231 1 10 . 1 1 37 37 ASN C C 19 175.272 175.272 175.325 -0.053 18492
3232 1 10 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.231 -1.877 18492
3233 1 10 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.099 0.075 18492
3234 1 10 . 1 1 37 37 ASN H H 19 6.939 6.939 7.127 -0.188 18492
3235 1 10 . 1 1 38 38 TRP N N 20 123.054 123.054 126.195 -3.141 18492
3236 1 10 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.473 -0.061 18492
3237 1 10 . 1 1 38 38 TRP C C 20 177.950 177.950 178.537 -0.587 18492
3238 1 10 . 1 1 38 38 TRP CA C 20 58.802 58.802 58.971 -0.169 18492
3239 1 10 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.167 1.433 18492
3240 1 10 . 1 1 38 38 TRP H H 20 7.064 7.064 8.005 -0.941 18492
3241 1 10 . 1 1 39 39 SER N N 21 112.959 112.959 114.799 -1.840 18492
3242 1 10 . 1 1 39 39 SER HA H 21 4.171 4.171 4.280 -0.109 18492
3243 1 10 . 1 1 39 39 SER C C 21 176.653 176.653 176.312 0.341 18492
3244 1 10 . 1 1 39 39 SER CA C 21 61.632 61.632 61.237 0.395 18492
3245 1 10 . 1 1 39 39 SER CB C 21 62.389 62.389 62.536 -0.147 18492
3246 1 10 . 1 1 39 39 SER H H 21 8.526 8.526 8.223 0.303 18492
3247 1 10 . 1 1 40 40 ALA N N 22 124.572 124.572 124.273 0.299 18492
3248 1 10 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.110 -0.301 18492
3249 1 10 . 1 1 40 40 ALA C C 22 180.307 180.307 179.931 0.376 18492
3250 1 10 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.819 -0.483 18492
3251 1 10 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.374 -1.554 18492
3252 1 10 . 1 1 40 40 ALA H H 22 7.130 7.130 7.463 -0.333 18492
3253 1 10 . 1 1 41 41 ILE N N 23 118.436 118.436 117.724 0.712 18492
3254 1 10 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.845 -0.260 18492
3255 1 10 . 1 1 41 41 ILE C C 23 177.684 177.684 177.592 0.092 18492
3256 1 10 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.671 4.200 18492
3257 1 10 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.542 1.910 18492
3258 1 10 . 1 1 41 41 ILE H H 23 7.750 7.750 7.754 -0.004 18492
3259 1 10 . 1 1 42 42 ALA N N 24 122.987 122.987 122.679 0.308 18492
3260 1 10 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.034 -0.114 18492
3261 1 10 . 1 1 42 42 ALA C C 24 180.335 180.335 179.214 1.121 18492
3262 1 10 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.441 0.661 18492
3263 1 10 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.497 -0.163 18492
3264 1 10 . 1 1 42 42 ALA H H 24 8.730 8.730 8.114 0.616 18492
3265 1 10 . 1 1 43 43 ARG N N 25 117.188 117.188 118.152 -0.964 18492
3266 1 10 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.136 -0.114 18492
3267 1 10 . 1 1 43 43 ARG C C 25 178.559 178.559 178.066 0.493 18492
3268 1 10 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.668 0.398 18492
3269 1 10 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.172 -0.218 18492
3270 1 10 . 1 1 43 43 ARG H H 25 7.511 7.511 7.568 -0.057 18492
3271 1 10 . 1 1 44 44 MET N N 26 117.388 117.388 119.030 -1.642 18492
3272 1 10 . 1 1 44 44 MET HA H 26 4.029 4.029 4.158 -0.129 18492
3273 1 10 . 1 1 44 44 MET C C 26 177.655 177.655 178.073 -0.418 18492
3274 1 10 . 1 1 44 44 MET CA C 26 58.926 58.926 59.106 -0.180 18492
3275 1 10 . 1 1 44 44 MET CB C 26 34.267 34.267 32.949 1.318 18492
3276 1 10 . 1 1 44 44 MET H H 26 7.399 7.399 7.463 -0.064 18492
3277 1 10 . 1 1 45 45 VAL N N 27 119.232 119.232 113.628 5.604 18492
3278 1 10 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.210 -0.629 18492
3279 1 10 . 1 1 45 45 VAL C C 27 178.991 178.991 177.518 1.473 18492
3280 1 10 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.142 1.617 18492
3281 1 10 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.438 -0.033 18492
3282 1 10 . 1 1 45 45 VAL H H 27 8.526 8.526 8.251 0.275 18492
3283 1 10 . 1 1 46 46 GLY N N 28 108.996 108.996 107.402 1.594 18492
3284 1 10 . 1 1 46 46 GLY C C 28 175.739 175.739 174.993 0.746 18492
3285 1 10 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.609 1.641 18492
3286 1 10 . 1 1 46 46 GLY H H 28 8.663 8.663 7.906 0.757 18492
3287 1 10 . 1 1 47 47 SER N N 29 112.827 112.827 113.118 -0.291 18492
3288 1 10 . 1 1 47 47 SER HA H 29 4.291 4.291 4.133 0.158 18492
3289 1 10 . 1 1 47 47 SER C C 29 173.701 173.701 173.739 -0.038 18492
3290 1 10 . 1 1 47 47 SER CA C 29 57.352 57.352 59.282 -1.930 18492
3291 1 10 . 1 1 47 47 SER CB C 29 62.198 62.198 61.550 0.648 18492
3292 1 10 . 1 1 47 47 SER H H 29 7.948 7.948 7.921 0.027 18492
3293 1 10 . 1 1 48 48 LYS N N 30 119.562 119.562 120.156 -0.594 18492
3294 1 10 . 1 1 48 48 LYS H H 30 6.655 6.655 7.691 -1.036 18492
3295 1 10 . 1 1 49 49 THR N N 31 111.264 111.264 116.066 -4.802 18492
3296 1 10 . 1 1 49 49 THR HA H 31 4.377 4.377 4.689 -0.312 18492
3297 1 10 . 1 1 49 49 THR C C 31 176.481 176.481 175.001 1.480 18492
3298 1 10 . 1 1 49 49 THR CA C 31 60.302 60.302 60.708 -0.406 18492
3299 1 10 . 1 1 49 49 THR CB C 31 72.012 72.012 71.415 0.597 18492
3300 1 10 . 1 1 49 49 THR H H 31 8.900 8.900 7.815 1.085 18492
3301 1 10 . 1 1 50 50 VAL N N 32 121.079 121.079 124.833 -3.754 18492
3302 1 10 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.850 -0.330 18492
3303 1 10 . 1 1 50 50 VAL C C 32 177.818 177.818 177.338 0.480 18492
3304 1 10 . 1 1 50 50 VAL CA C 32 68.065 68.065 64.772 3.293 18492
3305 1 10 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.617 0.213 18492
3306 1 10 . 1 1 50 50 VAL H H 32 8.697 8.697 8.733 -0.036 18492
3307 1 10 . 1 1 51 51 SER N N 33 113.769 113.769 115.095 -1.326 18492
3308 1 10 . 1 1 51 51 SER HA H 33 3.995 3.995 4.102 -0.107 18492
3309 1 10 . 1 1 51 51 SER C C 33 177.346 177.346 176.774 0.572 18492
3310 1 10 . 1 1 51 51 SER CA C 33 61.640 61.640 61.013 0.627 18492
3311 1 10 . 1 1 51 51 SER CB C 33 62.431 62.431 62.787 -0.356 18492
3312 1 10 . 1 1 51 51 SER H H 33 8.334 8.334 8.397 -0.063 18492
3313 1 10 . 1 1 52 52 GLN N N 34 120.084 120.084 121.430 -1.346 18492
3314 1 10 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.175 0.128 18492
3315 1 10 . 1 1 52 52 GLN C C 34 180.343 180.343 177.891 2.452 18492
3316 1 10 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.753 0.529 18492
3317 1 10 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.361 1.201 18492
3318 1 10 . 1 1 52 52 GLN H H 34 7.781 7.781 7.760 0.021 18492
3319 1 10 . 1 1 53 53 CYS N N 35 120.950 120.950 117.474 3.476 18492
3320 1 10 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.335 0.124 18492
3321 1 10 . 1 1 53 53 CYS C C 35 175.170 175.170 176.612 -1.442 18492
3322 1 10 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.110 5.472 18492
3323 1 10 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.169 -0.055 18492
3324 1 10 . 1 1 53 53 CYS H H 35 8.748 8.748 7.817 0.931 18492
3325 1 10 . 1 1 54 54 LYS N N 36 120.488 120.488 120.168 0.320 18492
3326 1 10 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.052 -0.827 18492
3327 1 10 . 1 1 54 54 LYS C C 36 177.848 177.848 178.157 -0.309 18492
3328 1 10 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.978 0.483 18492
3329 1 10 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.124 -0.190 18492
3330 1 10 . 1 1 54 54 LYS H H 36 7.790 7.790 7.903 -0.113 18492
3331 1 10 . 1 1 55 55 ASN N N 37 116.085 116.085 117.526 -1.441 18492
3332 1 10 . 1 1 55 55 ASN HA H 37 4.424 4.424 3.063 1.361 18492
3333 1 10 . 1 1 55 55 ASN C C 37 177.149 177.149 177.318 -0.169 18492
3334 1 10 . 1 1 55 55 ASN CA C 37 56.086 56.086 54.684 1.402 18492
3335 1 10 . 1 1 55 55 ASN CB C 37 38.469 38.469 37.863 0.606 18492
3336 1 10 . 1 1 55 55 ASN H H 37 7.988 7.988 7.717 0.271 18492
3337 1 10 . 1 1 56 56 PHE N N 38 121.512 121.512 122.277 -0.765 18492
3338 1 10 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.049 -0.469 18492
3339 1 10 . 1 1 56 56 PHE C C 38 175.968 175.968 176.829 -0.861 18492
3340 1 10 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.605 0.052 18492
3341 1 10 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.937 -0.076 18492
3342 1 10 . 1 1 56 56 PHE H H 38 8.117 8.117 7.578 0.539 18492
3343 1 10 . 1 1 57 57 TYR N N 39 114.465 114.465 119.238 -4.773 18492
3344 1 10 . 1 1 57 57 TYR HA H 39 3.667 3.667 4.160 -0.492 18492
3345 1 10 . 1 1 57 57 TYR CA C 39 61.848 61.848 59.873 1.975 18492
3346 1 10 . 1 1 57 57 TYR CB C 39 38.720 38.720 37.995 0.725 18492
3347 1 10 . 1 1 57 57 TYR H H 39 7.723 7.723 7.397 0.326 18492
3348 1 10 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.190 -0.103 18492
3349 1 10 . 1 1 66 66 LEU C C 48 179.076 179.076 177.795 1.281 18492
3350 1 10 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.014 0.250 18492
3351 1 10 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.877 -0.725 18492
3352 1 10 . 1 1 67 67 ASP N N 49 118.908 118.908 118.811 0.097 18492
3353 1 10 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.373 0.324 18492
3354 1 10 . 1 1 67 67 ASP C C 49 179.483 179.483 177.843 1.640 18492
3355 1 10 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.894 -0.408 18492
3356 1 10 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.939 -1.861 18492
3357 1 10 . 1 1 67 67 ASP H H 49 8.630 8.630 8.654 -0.024 18492
3358 1 10 . 1 1 68 68 GLU N N 50 122.261 122.261 119.759 2.502 18492
3359 1 10 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.131 -0.009 18492
3360 1 10 . 1 1 68 68 GLU C C 50 179.120 179.120 178.940 0.180 18492
3361 1 10 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.018 0.363 18492
3362 1 10 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.639 -0.456 18492
3363 1 10 . 1 1 68 68 GLU H H 50 7.906 7.906 7.682 0.224 18492
3364 1 10 . 1 1 69 69 ILE N N 51 120.582 120.582 120.765 -0.183 18492
3365 1 10 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.768 0.026 18492
3366 1 10 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.214 -0.485 18492
3367 1 10 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.854 -0.391 18492
3368 1 10 . 1 1 69 69 ILE H H 51 7.296 7.296 7.521 -0.225 18492
3369 1 10 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.159 -0.071 18492
3370 1 10 . 1 1 70 70 LEU C C 52 180.091 180.091 179.473 0.618 18492
3371 1 10 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.340 0.511 18492
3372 1 10 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.664 0.501 18492
3373 1 10 . 1 1 71 71 GLN N N 53 121.069 121.069 119.142 1.927 18492
3374 1 10 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.066 0.114 18492
3375 1 10 . 1 1 71 71 GLN C C 53 178.551 178.551 178.380 0.171 18492
3376 1 10 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.699 0.102 18492
3377 1 10 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.198 -0.447 18492
3378 1 10 . 1 1 71 71 GLN H H 53 8.075 8.075 8.098 -0.023 18492
3379 1 10 . 1 1 72 72 GLN N N 54 119.983 119.983 118.580 1.403 18492
3380 1 10 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.037 -0.017 18492
3381 1 10 . 1 1 72 72 GLN C C 54 179.376 179.376 178.509 0.867 18492
3382 1 10 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.859 -0.027 18492
3383 1 10 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.400 -0.322 18492
3384 1 10 . 1 1 72 72 GLN H H 54 7.900 7.900 8.314 -0.414 18492
3385 1 10 . 1 1 73 73 HIS N N 55 120.410 120.410 119.355 1.055 18492
3386 1 10 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.193 0.121 18492
3387 1 10 . 1 1 73 73 HIS C C 55 176.222 176.222 177.108 -0.886 18492
3388 1 10 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.407 0.595 18492
3389 1 10 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.091 -1.928 18492
3390 1 10 . 1 1 73 73 HIS H H 55 8.637 8.637 7.893 0.744 18492
3391 1 10 . 1 1 74 74 LYS N N 56 120.014 120.014 120.244 -0.230 18492
3392 1 10 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.925 -0.160 18492
3393 1 10 . 1 1 74 74 LYS C C 56 179.024 179.024 178.848 0.176 18492
3394 1 10 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.588 0.058 18492
3395 1 10 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.510 -0.315 18492
3396 1 10 . 1 1 74 74 LYS H H 56 7.944 7.944 7.824 0.120 18492
3397 1 10 . 1 1 75 75 LEU N N 57 119.352 119.352 117.070 2.282 18492
3398 1 10 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.055 -0.001 18492
3399 1 10 . 1 1 75 75 LEU C C 57 179.386 179.386 178.958 0.428 18492
3400 1 10 . 1 1 75 75 LEU CA C 57 57.646 57.646 58.236 -0.590 18492
3401 1 10 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.260 0.519 18492
3402 1 10 . 1 1 75 75 LEU H H 57 7.870 7.870 8.245 -0.375 18492
3403 1 10 . 1 1 76 76 LYS N N 58 121.054 121.054 119.536 1.518 18492
3404 1 10 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.901 0.067 18492
3405 1 10 . 1 1 76 76 LYS C C 58 178.872 178.872 178.751 0.121 18492
3406 1 10 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.417 -0.111 18492
3407 1 10 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.200 0.052 18492
3408 1 10 . 1 1 76 76 LYS H H 58 7.943 7.943 7.683 0.260 18492
3409 1 10 . 1 1 77 77 MET N N 59 117.676 117.676 119.136 -1.460 18492
3410 1 10 . 1 1 77 77 MET HA H 59 4.164 4.164 4.146 0.018 18492
3411 1 10 . 1 1 77 77 MET C C 59 179.131 179.131 178.299 0.832 18492
3412 1 10 . 1 1 77 77 MET CA C 59 57.271 57.271 58.457 -1.186 18492
3413 1 10 . 1 1 77 77 MET CB C 59 31.676 31.676 32.395 -0.719 18492
3414 1 10 . 1 1 77 77 MET H H 59 7.910 7.910 7.619 0.291 18492
3415 1 10 . 1 1 78 78 GLU N N 60 120.695 120.695 119.983 0.712 18492
3416 1 10 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.976 0.024 18492
3417 1 10 . 1 1 78 78 GLU C C 60 178.407 178.407 178.377 0.030 18492
3418 1 10 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.909 -0.631 18492
3419 1 10 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.320 0.149 18492
3420 1 10 . 1 1 78 78 GLU H H 60 8.005 8.005 8.391 -0.386 18492
3421 1 10 . 1 1 79 79 LYS N N 61 119.944 119.944 118.125 1.819 18492
3422 1 10 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.054 0.020 18492
3423 1 10 . 1 1 79 79 LYS C C 61 179.350 179.350 179.189 0.161 18492
3424 1 10 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.202 -0.150 18492
3425 1 10 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.321 -0.080 18492
3426 1 10 . 1 1 79 79 LYS H H 61 7.993 7.993 7.684 0.309 18492
3427 1 10 . 1 1 80 80 GLU N N 62 119.421 119.421 118.845 0.576 18492
3428 1 10 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.104 -0.052 18492
3429 1 10 . 1 1 80 80 GLU C C 62 178.434 178.434 178.549 -0.115 18492
3430 1 10 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.725 -0.147 18492
3431 1 10 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.193 0.318 18492
3432 1 10 . 1 1 80 80 GLU H H 62 8.011 8.011 8.253 -0.242 18492
3433 1 10 . 1 1 81 81 ARG N N 63 120.087 120.087 121.143 -1.056 18492
3434 1 10 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.016 0.047 18492
3435 1 10 . 1 1 81 81 ARG C C 63 178.289 178.289 178.544 -0.255 18492
3436 1 10 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.359 -0.630 18492
3437 1 10 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.152 -0.168 18492
3438 1 10 . 1 1 81 81 ARG H H 63 8.038 8.038 7.810 0.228 18492
3439 1 10 . 1 1 82 82 ASN N N 64 117.835 117.835 117.515 0.320 18492
3440 1 10 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.434 0.092 18492
3441 1 10 . 1 1 82 82 ASN C C 64 176.397 176.397 176.727 -0.330 18492
3442 1 10 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.965 -1.290 18492
3443 1 10 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.324 0.171 18492
3444 1 10 . 1 1 82 82 ASN H H 64 8.176 8.176 8.088 0.088 18492
3445 1 10 . 1 1 83 83 ALA N N 65 122.797 122.797 122.306 0.491 18492
3446 1 10 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.092 0.112 18492
3447 1 10 . 1 1 83 83 ALA C C 65 178.776 178.776 179.516 -0.740 18492
3448 1 10 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.627 -0.869 18492
3449 1 10 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.948 -0.179 18492
3450 1 10 . 1 1 83 83 ALA H H 65 7.883 7.883 7.811 0.072 18492
3451 1 10 . 1 1 84 84 ARG N N 66 118.042 118.042 116.833 1.209 18492
3452 1 10 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.199 0.014 18492
3453 1 10 . 1 1 84 84 ARG C C 66 177.040 177.040 178.237 -1.197 18492
3454 1 10 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.349 -1.279 18492
3455 1 10 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.055 0.330 18492
3456 1 10 . 1 1 84 84 ARG H H 66 7.855 7.855 7.767 0.088 18492
3457 1 10 . 1 1 85 85 ARG N N 67 120.431 120.431 118.293 2.138 18492
3458 1 10 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.439 -0.225 18492
3459 1 10 . 1 1 85 85 ARG C C 67 176.547 176.547 176.251 0.296 18492
3460 1 10 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.723 1.163 18492
3461 1 10 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.971 0.354 18492
3462 1 10 . 1 1 85 85 ARG H H 67 7.873 7.873 7.843 0.030 18492
3463 1 10 . 1 1 86 86 LYS N N 68 121.690 121.690 117.592 4.098 18492
3464 1 10 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.488 -0.223 18492
3465 1 10 . 1 1 86 86 LYS C C 68 176.561 176.561 175.395 1.166 18492
3466 1 10 . 1 1 86 86 LYS CA C 68 56.926 56.926 54.881 2.045 18492
3467 1 10 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.355 0.531 18492
3468 1 10 . 1 1 86 86 LYS H H 68 8.040 8.040 7.557 0.483 18492
3469 1 10 . 1 1 87 87 LYS N N 69 122.486 122.486 122.753 -0.267 18492
3470 1 10 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.200 0.069 18492
3471 1 10 . 1 1 87 87 LYS C C 69 176.383 176.383 176.674 -0.291 18492
3472 1 10 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.377 0.123 18492
3473 1 10 . 1 1 87 87 LYS CB C 69 33.100 33.100 30.776 2.324 18492
3474 1 10 . 1 1 87 87 LYS H H 69 8.116 8.116 7.867 0.249 18492
3475 1 10 . 1 1 88 88 LYS N N 70 123.589 123.589 125.141 -1.552 18492
3476 1 10 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.067 0.180 18492
3477 1 10 . 1 1 88 88 LYS C C 70 175.618 175.618 175.433 0.185 18492
3478 1 10 . 1 1 88 88 LYS CA C 70 56.693 56.693 57.185 -0.492 18492
3479 1 10 . 1 1 88 88 LYS CB C 70 33.089 33.089 30.904 2.185 18492
3480 1 10 . 1 1 88 88 LYS H H 70 8.247 8.247 8.368 -0.121 18492
3481 1 11 . 1 1 20 20 THR N N 2 114.872 114.872 118.715 -3.843 18492
3482 1 11 . 1 1 20 20 THR HA H 2 4.639 4.639 4.729 -0.090 18492
3483 1 11 . 1 1 20 20 THR C C 2 175.858 175.858 175.378 0.480 18492
3484 1 11 . 1 1 20 20 THR CA C 2 59.992 59.992 60.489 -0.497 18492
3485 1 11 . 1 1 20 20 THR CB C 2 71.359 71.359 71.133 0.226 18492
3486 1 11 . 1 1 20 20 THR H H 2 9.423 9.423 8.453 0.970 18492
3487 1 11 . 1 1 21 21 GLU N N 3 121.694 121.694 123.028 -1.334 18492
3488 1 11 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.054 -0.035 18492
3489 1 11 . 1 1 21 21 GLU C C 3 179.808 179.808 178.743 1.065 18492
3490 1 11 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.596 0.646 18492
3491 1 11 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.213 0.120 18492
3492 1 11 . 1 1 21 21 GLU H H 3 9.120 9.120 8.913 0.207 18492
3493 1 11 . 1 1 22 22 GLU N N 4 120.617 120.617 118.473 2.144 18492
3494 1 11 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.005 0.097 18492
3495 1 11 . 1 1 22 22 GLU C C 4 179.604 179.604 178.789 0.815 18492
3496 1 11 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.299 0.604 18492
3497 1 11 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.950 0.220 18492
3498 1 11 . 1 1 22 22 GLU H H 4 8.735 8.735 8.878 -0.143 18492
3499 1 11 . 1 1 23 23 GLU N N 5 120.811 120.811 117.549 3.262 18492
3500 1 11 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.177 -0.103 18492
3501 1 11 . 1 1 23 23 GLU C C 5 179.511 179.511 179.117 0.394 18492
3502 1 11 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.372 1.095 18492
3503 1 11 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.131 2.283 18492
3504 1 11 . 1 1 23 23 GLU H H 5 7.887 7.887 7.741 0.146 18492
3505 1 11 . 1 1 24 24 MET N N 6 117.260 117.260 118.775 -1.515 18492
3506 1 11 . 1 1 24 24 MET HA H 6 3.665 3.665 4.375 -0.710 18492
3507 1 11 . 1 1 24 24 MET C C 6 178.480 178.480 178.896 -0.416 18492
3508 1 11 . 1 1 24 24 MET CA C 6 60.134 60.134 58.336 1.798 18492
3509 1 11 . 1 1 24 24 MET CB C 6 33.059 33.059 32.545 0.514 18492
3510 1 11 . 1 1 24 24 MET H H 6 8.607 8.607 8.655 -0.048 18492
3511 1 11 . 1 1 25 25 GLY N N 7 106.564 106.564 107.619 -1.055 18492
3512 1 11 . 1 1 25 25 GLY C C 7 177.376 177.376 175.397 1.979 18492
3513 1 11 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.193 0.139 18492
3514 1 11 . 1 1 25 25 GLY H H 7 8.494 8.494 8.095 0.399 18492
3515 1 11 . 1 1 26 26 THR N N 8 121.127 121.127 118.650 2.477 18492
3516 1 11 . 1 1 26 26 THR HA H 8 3.956 3.956 3.973 -0.017 18492
3517 1 11 . 1 1 26 26 THR C C 8 175.895 175.895 176.069 -0.174 18492
3518 1 11 . 1 1 26 26 THR CA C 8 66.737 66.737 66.236 0.501 18492
3519 1 11 . 1 1 26 26 THR CB C 8 67.623 67.623 68.623 -1.000 18492
3520 1 11 . 1 1 26 26 THR H H 8 8.242 8.242 7.495 0.747 18492
3521 1 11 . 1 1 27 27 ALA N N 9 125.226 125.226 124.607 0.619 18492
3522 1 11 . 1 1 27 27 ALA HA H 9 3.879 3.879 3.989 -0.110 18492
3523 1 11 . 1 1 27 27 ALA C C 9 179.361 179.361 178.942 0.419 18492
3524 1 11 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.410 0.334 18492
3525 1 11 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.013 -0.324 18492
3526 1 11 . 1 1 27 27 ALA H H 9 8.605 8.605 8.031 0.574 18492
3527 1 11 . 1 1 28 28 LYS N N 10 116.449 116.449 118.977 -2.528 18492
3528 1 11 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.080 -0.186 18492
3529 1 11 . 1 1 28 28 LYS C C 10 179.264 179.264 178.775 0.489 18492
3530 1 11 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.105 2.149 18492
3531 1 11 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.416 -0.224 18492
3532 1 11 . 1 1 28 28 LYS H H 10 8.149 8.149 7.879 0.270 18492
3533 1 11 . 1 1 29 29 LYS N N 11 121.248 121.248 119.042 2.206 18492
3534 1 11 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.071 -0.044 18492
3535 1 11 . 1 1 29 29 LYS C C 11 179.168 179.168 179.028 0.140 18492
3536 1 11 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.692 0.919 18492
3537 1 11 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.900 0.209 18492
3538 1 11 . 1 1 29 29 LYS H H 11 7.747 7.747 8.010 -0.263 18492
3539 1 11 . 1 1 30 30 GLY N N 12 108.727 108.727 107.180 1.547 18492
3540 1 11 . 1 1 30 30 GLY C C 12 174.800 174.800 176.446 -1.646 18492
3541 1 11 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.145 1.875 18492
3542 1 11 . 1 1 30 30 GLY H H 12 8.838 8.838 7.975 0.863 18492
3543 1 11 . 1 1 31 31 LEU N N 13 124.189 124.189 122.697 1.492 18492
3544 1 11 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.380 -0.291 18492
3545 1 11 . 1 1 31 31 LEU C C 13 179.023 179.023 179.135 -0.112 18492
3546 1 11 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.066 0.413 18492
3547 1 11 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.978 0.577 18492
3548 1 11 . 1 1 31 31 LEU H H 13 8.520 8.520 8.005 0.515 18492
3549 1 11 . 1 1 32 32 LEU N N 14 119.512 119.512 118.046 1.466 18492
3550 1 11 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.973 -0.015 18492
3551 1 11 . 1 1 32 32 LEU C C 14 178.844 178.844 177.316 1.528 18492
3552 1 11 . 1 1 32 32 LEU CA C 14 57.935 57.935 56.824 1.111 18492
3553 1 11 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.426 -0.761 18492
3554 1 11 . 1 1 32 32 LEU H H 14 7.322 7.322 7.926 -0.604 18492
3555 1 11 . 1 1 33 33 GLU N N 15 117.254 117.254 116.223 1.031 18492
3556 1 11 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.770 0.232 18492
3557 1 11 . 1 1 33 33 GLU C C 15 178.636 178.636 178.153 0.483 18492
3558 1 11 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.135 0.542 18492
3559 1 11 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.142 0.281 18492
3560 1 11 . 1 1 33 33 GLU H H 15 7.940 7.940 7.641 0.299 18492
3561 1 11 . 1 1 34 34 HIS N N 16 113.397 113.397 114.737 -1.340 18492
3562 1 11 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.473 0.293 18492
3563 1 11 . 1 1 34 34 HIS C C 16 176.465 176.465 176.470 -0.005 18492
3564 1 11 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.707 -2.180 18492
3565 1 11 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.634 0.760 18492
3566 1 11 . 1 1 34 34 HIS H H 16 8.732 8.732 8.121 0.611 18492
3567 1 11 . 1 1 35 35 GLY N N 17 112.392 112.392 105.910 6.482 18492
3568 1 11 . 1 1 35 35 GLY C C 17 172.914 172.914 173.094 -0.180 18492
3569 1 11 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.598 1.133 18492
3570 1 11 . 1 1 35 35 GLY H H 17 7.475 7.475 7.664 -0.189 18492
3571 1 11 . 1 1 36 36 ARG N N 18 121.605 121.605 120.056 1.549 18492
3572 1 11 . 1 1 36 36 ARG HA H 18 2.685 2.685 4.025 -1.340 18492
3573 1 11 . 1 1 36 36 ARG C C 18 174.673 174.673 174.887 -0.214 18492
3574 1 11 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.440 -0.764 18492
3575 1 11 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.792 -2.022 18492
3576 1 11 . 1 1 36 36 ARG H H 18 7.805 7.805 8.449 -0.644 18492
3577 1 11 . 1 1 37 37 ASN N N 19 118.725 118.725 119.770 -1.045 18492
3578 1 11 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.350 0.110 18492
3579 1 11 . 1 1 37 37 ASN C C 19 175.272 175.272 175.812 -0.540 18492
3580 1 11 . 1 1 37 37 ASN CA C 19 50.354 50.354 53.019 -2.665 18492
3581 1 11 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.603 0.571 18492
3582 1 11 . 1 1 37 37 ASN H H 19 6.939 6.939 7.774 -0.835 18492
3583 1 11 . 1 1 38 38 TRP N N 20 123.054 123.054 126.828 -3.774 18492
3584 1 11 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.309 0.103 18492
3585 1 11 . 1 1 38 38 TRP C C 20 177.950 177.950 178.668 -0.718 18492
3586 1 11 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.119 -1.317 18492
3587 1 11 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.862 1.738 18492
3588 1 11 . 1 1 38 38 TRP H H 20 7.064 7.064 8.109 -1.045 18492
3589 1 11 . 1 1 39 39 SER N N 21 112.959 112.959 114.211 -1.252 18492
3590 1 11 . 1 1 39 39 SER HA H 21 4.171 4.171 4.134 0.037 18492
3591 1 11 . 1 1 39 39 SER C C 21 176.653 176.653 176.623 0.030 18492
3592 1 11 . 1 1 39 39 SER CA C 21 61.632 61.632 61.607 0.025 18492
3593 1 11 . 1 1 39 39 SER CB C 21 62.389 62.389 62.531 -0.142 18492
3594 1 11 . 1 1 39 39 SER H H 21 8.526 8.526 8.528 -0.002 18492
3595 1 11 . 1 1 40 40 ALA N N 22 124.572 124.572 123.884 0.688 18492
3596 1 11 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.030 -0.221 18492
3597 1 11 . 1 1 40 40 ALA C C 22 180.307 180.307 180.036 0.271 18492
3598 1 11 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.741 -0.405 18492
3599 1 11 . 1 1 40 40 ALA CB C 22 16.820 16.820 17.997 -1.177 18492
3600 1 11 . 1 1 40 40 ALA H H 22 7.130 7.130 7.563 -0.433 18492
3601 1 11 . 1 1 41 41 ILE N N 23 118.436 118.436 117.611 0.825 18492
3602 1 11 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.846 -0.261 18492
3603 1 11 . 1 1 41 41 ILE C C 23 177.684 177.684 177.763 -0.079 18492
3604 1 11 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.424 4.447 18492
3605 1 11 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.470 1.982 18492
3606 1 11 . 1 1 41 41 ILE H H 23 7.750 7.750 7.688 0.062 18492
3607 1 11 . 1 1 42 42 ALA N N 24 122.987 122.987 123.176 -0.189 18492
3608 1 11 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.120 -0.200 18492
3609 1 11 . 1 1 42 42 ALA C C 24 180.335 180.335 180.132 0.203 18492
3610 1 11 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.454 0.648 18492
3611 1 11 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.429 -0.095 18492
3612 1 11 . 1 1 42 42 ALA H H 24 8.730 8.730 8.399 0.331 18492
3613 1 11 . 1 1 43 43 ARG N N 25 117.188 117.188 116.682 0.506 18492
3614 1 11 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.290 -0.268 18492
3615 1 11 . 1 1 43 43 ARG C C 25 178.559 178.559 178.814 -0.255 18492
3616 1 11 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.453 0.613 18492
3617 1 11 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.252 -0.298 18492
3618 1 11 . 1 1 43 43 ARG H H 25 7.511 7.511 8.184 -0.673 18492
3619 1 11 . 1 1 44 44 MET N N 26 117.388 117.388 120.058 -2.670 18492
3620 1 11 . 1 1 44 44 MET HA H 26 4.029 4.029 4.230 -0.201 18492
3621 1 11 . 1 1 44 44 MET C C 26 177.655 177.655 177.356 0.299 18492
3622 1 11 . 1 1 44 44 MET CA C 26 58.926 58.926 58.700 0.226 18492
3623 1 11 . 1 1 44 44 MET CB C 26 34.267 34.267 32.879 1.388 18492
3624 1 11 . 1 1 44 44 MET H H 26 7.399 7.399 7.556 -0.157 18492
3625 1 11 . 1 1 45 45 VAL N N 27 119.232 119.232 114.722 4.510 18492
3626 1 11 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.221 -0.640 18492
3627 1 11 . 1 1 45 45 VAL C C 27 178.991 178.991 177.364 1.627 18492
3628 1 11 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.586 1.173 18492
3629 1 11 . 1 1 45 45 VAL CB C 27 32.405 32.405 31.643 0.762 18492
3630 1 11 . 1 1 45 45 VAL H H 27 8.526 8.526 8.138 0.388 18492
3631 1 11 . 1 1 46 46 GLY N N 28 108.996 108.996 107.545 1.451 18492
3632 1 11 . 1 1 46 46 GLY C C 28 175.739 175.739 175.103 0.636 18492
3633 1 11 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.204 2.046 18492
3634 1 11 . 1 1 46 46 GLY H H 28 8.663 8.663 7.867 0.796 18492
3635 1 11 . 1 1 47 47 SER N N 29 112.827 112.827 114.235 -1.408 18492
3636 1 11 . 1 1 47 47 SER HA H 29 4.291 4.291 4.150 0.141 18492
3637 1 11 . 1 1 47 47 SER C C 29 173.701 173.701 173.491 0.210 18492
3638 1 11 . 1 1 47 47 SER CA C 29 57.352 57.352 59.312 -1.960 18492
3639 1 11 . 1 1 47 47 SER CB C 29 62.198 62.198 61.922 0.276 18492
3640 1 11 . 1 1 47 47 SER H H 29 7.948 7.948 8.131 -0.183 18492
3641 1 11 . 1 1 48 48 LYS N N 30 119.562 119.562 119.578 -0.016 18492
3642 1 11 . 1 1 48 48 LYS H H 30 6.655 6.655 7.778 -1.123 18492
3643 1 11 . 1 1 49 49 THR N N 31 111.264 111.264 115.747 -4.483 18492
3644 1 11 . 1 1 49 49 THR HA H 31 4.377 4.377 4.240 0.137 18492
3645 1 11 . 1 1 49 49 THR C C 31 176.481 176.481 176.223 0.258 18492
3646 1 11 . 1 1 49 49 THR CA C 31 60.302 60.302 63.397 -3.095 18492
3647 1 11 . 1 1 49 49 THR CB C 31 72.012 72.012 69.181 2.830 18492
3648 1 11 . 1 1 49 49 THR H H 31 8.900 8.900 8.390 0.510 18492
3649 1 11 . 1 1 50 50 VAL N N 32 121.079 121.079 125.407 -4.328 18492
3650 1 11 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.710 -0.190 18492
3651 1 11 . 1 1 50 50 VAL C C 32 177.818 177.818 177.295 0.523 18492
3652 1 11 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.839 2.226 18492
3653 1 11 . 1 1 50 50 VAL CB C 32 31.830 31.830 32.069 -0.239 18492
3654 1 11 . 1 1 50 50 VAL H H 32 8.697 8.697 8.708 -0.011 18492
3655 1 11 . 1 1 51 51 SER N N 33 113.769 113.769 114.704 -0.935 18492
3656 1 11 . 1 1 51 51 SER HA H 33 3.995 3.995 4.119 -0.124 18492
3657 1 11 . 1 1 51 51 SER C C 33 177.346 177.346 176.546 0.800 18492
3658 1 11 . 1 1 51 51 SER CA C 33 61.640 61.640 61.611 0.029 18492
3659 1 11 . 1 1 51 51 SER CB C 33 62.431 62.431 62.324 0.107 18492
3660 1 11 . 1 1 51 51 SER H H 33 8.334 8.334 8.163 0.171 18492
3661 1 11 . 1 1 52 52 GLN N N 34 120.084 120.084 121.102 -1.018 18492
3662 1 11 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.191 0.112 18492
3663 1 11 . 1 1 52 52 GLN C C 34 180.343 180.343 178.162 2.181 18492
3664 1 11 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.301 -0.019 18492
3665 1 11 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.376 1.186 18492
3666 1 11 . 1 1 52 52 GLN H H 34 7.781 7.781 7.962 -0.181 18492
3667 1 11 . 1 1 53 53 CYS N N 35 120.950 120.950 117.348 3.602 18492
3668 1 11 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.439 0.020 18492
3669 1 11 . 1 1 53 53 CYS C C 35 175.170 175.170 176.959 -1.789 18492
3670 1 11 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.628 4.954 18492
3671 1 11 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.250 -0.136 18492
3672 1 11 . 1 1 53 53 CYS H H 35 8.748 8.748 8.170 0.578 18492
3673 1 11 . 1 1 54 54 LYS N N 36 120.488 120.488 120.284 0.204 18492
3674 1 11 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.810 -1.585 18492
3675 1 11 . 1 1 54 54 LYS C C 36 177.848 177.848 178.177 -0.329 18492
3676 1 11 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.292 0.169 18492
3677 1 11 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.097 -0.163 18492
3678 1 11 . 1 1 54 54 LYS H H 36 7.790 7.790 7.606 0.184 18492
3679 1 11 . 1 1 55 55 ASN N N 37 116.085 116.085 116.678 -0.593 18492
3680 1 11 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.846 -0.422 18492
3681 1 11 . 1 1 55 55 ASN C C 37 177.149 177.149 177.461 -0.312 18492
3682 1 11 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.532 0.554 18492
3683 1 11 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.802 -0.333 18492
3684 1 11 . 1 1 55 55 ASN H H 37 7.988 7.988 8.179 -0.191 18492
3685 1 11 . 1 1 56 56 PHE N N 38 121.512 121.512 120.912 0.600 18492
3686 1 11 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.091 -0.511 18492
3687 1 11 . 1 1 56 56 PHE C C 38 175.968 175.968 177.186 -1.218 18492
3688 1 11 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.015 0.642 18492
3689 1 11 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.967 -0.106 18492
3690 1 11 . 1 1 56 56 PHE H H 38 8.117 8.117 7.785 0.332 18492
3691 1 11 . 1 1 57 57 TYR N N 39 114.465 114.465 119.815 -5.350 18492
3692 1 11 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.983 -0.316 18492
3693 1 11 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.945 0.903 18492
3694 1 11 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.053 0.667 18492
3695 1 11 . 1 1 57 57 TYR H H 39 7.723 7.723 7.600 0.123 18492
3696 1 11 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.086 0.001 18492
3697 1 11 . 1 1 66 66 LEU C C 48 179.076 179.076 176.894 2.182 18492
3698 1 11 . 1 1 66 66 LEU CA C 48 57.264 57.264 58.121 -0.857 18492
3699 1 11 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.846 -0.694 18492
3700 1 11 . 1 1 67 67 ASP N N 49 118.908 118.908 117.203 1.705 18492
3701 1 11 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.267 0.430 18492
3702 1 11 . 1 1 67 67 ASP C C 49 179.483 179.483 177.947 1.536 18492
3703 1 11 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.249 0.237 18492
3704 1 11 . 1 1 67 67 ASP CB C 49 39.078 39.078 39.893 -0.815 18492
3705 1 11 . 1 1 67 67 ASP H H 49 8.630 8.630 8.687 -0.057 18492
3706 1 11 . 1 1 68 68 GLU N N 50 122.261 122.261 120.448 1.813 18492
3707 1 11 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.125 -0.003 18492
3708 1 11 . 1 1 68 68 GLU C C 50 179.120 179.120 178.571 0.549 18492
3709 1 11 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.751 0.630 18492
3710 1 11 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.235 -0.052 18492
3711 1 11 . 1 1 68 68 GLU H H 50 7.906 7.906 8.342 -0.436 18492
3712 1 11 . 1 1 69 69 ILE N N 51 120.582 120.582 120.078 0.504 18492
3713 1 11 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.741 0.053 18492
3714 1 11 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.173 -0.444 18492
3715 1 11 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.870 -0.407 18492
3716 1 11 . 1 1 69 69 ILE H H 51 7.296 7.296 7.386 -0.090 18492
3717 1 11 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.251 -0.163 18492
3718 1 11 . 1 1 70 70 LEU C C 52 180.091 180.091 179.556 0.535 18492
3719 1 11 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.198 0.653 18492
3720 1 11 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.869 0.296 18492
3721 1 11 . 1 1 71 71 GLN N N 53 121.069 121.069 119.121 1.948 18492
3722 1 11 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.995 0.185 18492
3723 1 11 . 1 1 71 71 GLN C C 53 178.551 178.551 178.366 0.185 18492
3724 1 11 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.800 0.000 18492
3725 1 11 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.229 -0.478 18492
3726 1 11 . 1 1 71 71 GLN H H 53 8.075 8.075 7.884 0.191 18492
3727 1 11 . 1 1 72 72 GLN N N 54 119.983 119.983 118.115 1.868 18492
3728 1 11 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.031 -0.011 18492
3729 1 11 . 1 1 72 72 GLN C C 54 179.376 179.376 178.371 1.005 18492
3730 1 11 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.734 0.098 18492
3731 1 11 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.329 -0.251 18492
3732 1 11 . 1 1 72 72 GLN H H 54 7.900 7.900 7.868 0.032 18492
3733 1 11 . 1 1 73 73 HIS N N 55 120.410 120.410 119.863 0.547 18492
3734 1 11 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.101 0.212 18492
3735 1 11 . 1 1 73 73 HIS C C 55 176.222 176.222 177.036 -0.814 18492
3736 1 11 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.517 0.485 18492
3737 1 11 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.985 -1.822 18492
3738 1 11 . 1 1 73 73 HIS H H 55 8.637 8.637 7.831 0.806 18492
3739 1 11 . 1 1 74 74 LYS N N 56 120.014 120.014 120.022 -0.008 18492
3740 1 11 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.839 -0.074 18492
3741 1 11 . 1 1 74 74 LYS C C 56 179.024 179.024 178.967 0.057 18492
3742 1 11 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.665 -0.019 18492
3743 1 11 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.452 -0.257 18492
3744 1 11 . 1 1 74 74 LYS H H 56 7.944 7.944 7.917 0.027 18492
3745 1 11 . 1 1 75 75 LEU N N 57 119.352 119.352 116.046 3.306 18492
3746 1 11 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.192 -0.138 18492
3747 1 11 . 1 1 75 75 LEU C C 57 179.386 179.386 178.943 0.443 18492
3748 1 11 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.826 -0.180 18492
3749 1 11 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.272 0.507 18492
3750 1 11 . 1 1 75 75 LEU H H 57 7.870 7.870 7.878 -0.008 18492
3751 1 11 . 1 1 76 76 LYS N N 58 121.054 121.054 120.197 0.857 18492
3752 1 11 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.941 0.027 18492
3753 1 11 . 1 1 76 76 LYS C C 58 178.872 178.872 178.991 -0.119 18492
3754 1 11 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.485 -0.179 18492
3755 1 11 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.216 0.037 18492
3756 1 11 . 1 1 76 76 LYS H H 58 7.943 7.943 7.797 0.146 18492
3757 1 11 . 1 1 77 77 MET N N 59 117.676 117.676 118.871 -1.195 18492
3758 1 11 . 1 1 77 77 MET HA H 59 4.164 4.164 4.121 0.043 18492
3759 1 11 . 1 1 77 77 MET C C 59 179.131 179.131 178.010 1.121 18492
3760 1 11 . 1 1 77 77 MET CA C 59 57.271 57.271 58.592 -1.321 18492
3761 1 11 . 1 1 77 77 MET CB C 59 31.676 31.676 32.569 -0.893 18492
3762 1 11 . 1 1 77 77 MET H H 59 7.910 7.910 7.958 -0.048 18492
3763 1 11 . 1 1 78 78 GLU N N 60 120.695 120.695 119.314 1.381 18492
3764 1 11 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.050 -0.050 18492
3765 1 11 . 1 1 78 78 GLU C C 60 178.407 178.407 178.669 -0.262 18492
3766 1 11 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.416 -0.138 18492
3767 1 11 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.511 -0.042 18492
3768 1 11 . 1 1 78 78 GLU H H 60 8.005 8.005 7.870 0.135 18492
3769 1 11 . 1 1 79 79 LYS N N 61 119.944 119.944 117.910 2.034 18492
3770 1 11 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.026 0.048 18492
3771 1 11 . 1 1 79 79 LYS C C 61 179.350 179.350 179.023 0.327 18492
3772 1 11 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.313 -0.261 18492
3773 1 11 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.178 0.063 18492
3774 1 11 . 1 1 79 79 LYS H H 61 7.993 7.993 7.688 0.305 18492
3775 1 11 . 1 1 80 80 GLU N N 62 119.421 119.421 118.426 0.995 18492
3776 1 11 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.138 -0.086 18492
3777 1 11 . 1 1 80 80 GLU C C 62 178.434 178.434 178.582 -0.148 18492
3778 1 11 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.444 0.134 18492
3779 1 11 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.195 0.316 18492
3780 1 11 . 1 1 80 80 GLU H H 62 8.011 8.011 7.762 0.249 18492
3781 1 11 . 1 1 81 81 ARG N N 63 120.087 120.087 121.135 -1.048 18492
3782 1 11 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.039 0.024 18492
3783 1 11 . 1 1 81 81 ARG C C 63 178.289 178.289 178.259 0.030 18492
3784 1 11 . 1 1 81 81 ARG CA C 63 58.729 58.729 58.894 -0.165 18492
3785 1 11 . 1 1 81 81 ARG CB C 63 29.984 29.984 29.854 0.130 18492
3786 1 11 . 1 1 81 81 ARG H H 63 8.038 8.038 7.677 0.361 18492
3787 1 11 . 1 1 82 82 ASN N N 64 117.835 117.835 117.388 0.447 18492
3788 1 11 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.464 0.062 18492
3789 1 11 . 1 1 82 82 ASN C C 64 176.397 176.397 177.657 -1.260 18492
3790 1 11 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.105 -1.430 18492
3791 1 11 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.255 0.240 18492
3792 1 11 . 1 1 82 82 ASN H H 64 8.176 8.176 7.941 0.235 18492
3793 1 11 . 1 1 83 83 ALA N N 65 122.797 122.797 122.337 0.460 18492
3794 1 11 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.178 0.026 18492
3795 1 11 . 1 1 83 83 ALA C C 65 178.776 178.776 179.199 -0.423 18492
3796 1 11 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.649 -0.891 18492
3797 1 11 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.831 -0.062 18492
3798 1 11 . 1 1 83 83 ALA H H 65 7.883 7.883 7.564 0.319 18492
3799 1 11 . 1 1 84 84 ARG N N 66 118.042 118.042 114.454 3.588 18492
3800 1 11 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.214 -0.001 18492
3801 1 11 . 1 1 84 84 ARG C C 66 177.040 177.040 176.321 0.719 18492
3802 1 11 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.530 -0.460 18492
3803 1 11 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.410 -0.025 18492
3804 1 11 . 1 1 84 84 ARG H H 66 7.855 7.855 8.003 -0.148 18492
3805 1 11 . 1 1 85 85 ARG N N 67 120.431 120.431 118.195 2.236 18492
3806 1 11 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.436 -0.222 18492
3807 1 11 . 1 1 85 85 ARG C C 67 176.547 176.547 175.165 1.382 18492
3808 1 11 . 1 1 85 85 ARG CA C 67 56.886 56.886 54.853 2.033 18492
3809 1 11 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.813 0.512 18492
3810 1 11 . 1 1 85 85 ARG H H 67 7.873 7.873 7.399 0.473 18492
3811 1 11 . 1 1 86 86 LYS N N 68 121.690 121.690 120.216 1.474 18492
3812 1 11 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.522 -0.257 18492
3813 1 11 . 1 1 86 86 LYS C C 68 176.561 176.561 176.149 0.412 18492
3814 1 11 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.810 1.116 18492
3815 1 11 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.788 0.097 18492
3816 1 11 . 1 1 86 86 LYS H H 68 8.040 8.040 7.404 0.636 18492
3817 1 11 . 1 1 87 87 LYS N N 69 122.486 122.486 123.906 -1.420 18492
3818 1 11 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.485 -0.216 18492
3819 1 11 . 1 1 87 87 LYS C C 69 176.383 176.383 176.367 0.016 18492
3820 1 11 . 1 1 87 87 LYS CA C 69 56.500 56.500 55.392 1.108 18492
3821 1 11 . 1 1 87 87 LYS CB C 69 33.100 33.100 32.031 1.069 18492
3822 1 11 . 1 1 87 87 LYS H H 69 8.116 8.116 8.520 -0.404 18492
3823 1 11 . 1 1 88 88 LYS N N 70 123.589 123.589 121.599 1.990 18492
3824 1 11 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.232 0.015 18492
3825 1 11 . 1 1 88 88 LYS C C 70 175.618 175.618 176.705 -1.087 18492
3826 1 11 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.190 0.503 18492
3827 1 11 . 1 1 88 88 LYS CB C 70 33.089 33.089 30.951 2.138 18492
3828 1 11 . 1 1 88 88 LYS H H 70 8.247 8.247 7.966 0.281 18492
3829 1 12 . 1 1 20 20 THR N N 2 114.872 114.872 119.463 -4.591 18492
3830 1 12 . 1 1 20 20 THR HA H 2 4.639 4.639 4.444 0.195 18492
3831 1 12 . 1 1 20 20 THR C C 2 175.858 175.858 175.352 0.506 18492
3832 1 12 . 1 1 20 20 THR CA C 2 59.992 59.992 61.470 -1.478 18492
3833 1 12 . 1 1 20 20 THR CB C 2 71.359 71.359 70.001 1.358 18492
3834 1 12 . 1 1 20 20 THR H H 2 9.423 9.423 8.377 1.046 18492
3835 1 12 . 1 1 21 21 GLU N N 3 121.694 121.694 121.394 0.300 18492
3836 1 12 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.985 0.034 18492
3837 1 12 . 1 1 21 21 GLU C C 3 179.808 179.808 178.688 1.120 18492
3838 1 12 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.687 0.555 18492
3839 1 12 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.304 0.029 18492
3840 1 12 . 1 1 21 21 GLU H H 3 9.120 9.120 8.952 0.168 18492
3841 1 12 . 1 1 22 22 GLU N N 4 120.617 120.617 118.814 1.803 18492
3842 1 12 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.100 0.002 18492
3843 1 12 . 1 1 22 22 GLU C C 4 179.604 179.604 178.520 1.084 18492
3844 1 12 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.508 0.395 18492
3845 1 12 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.947 0.222 18492
3846 1 12 . 1 1 22 22 GLU H H 4 8.735 8.735 8.742 -0.007 18492
3847 1 12 . 1 1 23 23 GLU N N 5 120.811 120.811 118.934 1.877 18492
3848 1 12 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.209 -0.135 18492
3849 1 12 . 1 1 23 23 GLU C C 5 179.511 179.511 178.912 0.599 18492
3850 1 12 . 1 1 23 23 GLU CA C 5 59.467 59.467 57.991 1.476 18492
3851 1 12 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.157 2.256 18492
3852 1 12 . 1 1 23 23 GLU H H 5 7.887 7.887 7.807 0.080 18492
3853 1 12 . 1 1 24 24 MET N N 6 117.260 117.260 121.252 -3.992 18492
3854 1 12 . 1 1 24 24 MET HA H 6 3.665 3.665 4.423 -0.758 18492
3855 1 12 . 1 1 24 24 MET C C 6 178.480 178.480 178.478 0.002 18492
3856 1 12 . 1 1 24 24 MET CA C 6 60.134 60.134 58.147 1.987 18492
3857 1 12 . 1 1 24 24 MET CB C 6 33.059 33.059 32.414 0.645 18492
3858 1 12 . 1 1 24 24 MET H H 6 8.607 8.607 8.565 0.042 18492
3859 1 12 . 1 1 25 25 GLY N N 7 106.564 106.564 104.819 1.745 18492
3860 1 12 . 1 1 25 25 GLY C C 7 177.376 177.376 175.809 1.567 18492
3861 1 12 . 1 1 25 25 GLY CA C 7 47.332 47.332 46.950 0.382 18492
3862 1 12 . 1 1 25 25 GLY H H 7 8.494 8.494 8.021 0.473 18492
3863 1 12 . 1 1 26 26 THR N N 8 121.127 121.127 119.308 1.819 18492
3864 1 12 . 1 1 26 26 THR HA H 8 3.956 3.956 4.028 -0.072 18492
3865 1 12 . 1 1 26 26 THR C C 8 175.895 175.895 176.227 -0.332 18492
3866 1 12 . 1 1 26 26 THR CA C 8 66.737 66.737 66.153 0.585 18492
3867 1 12 . 1 1 26 26 THR CB C 8 67.623 67.623 68.785 -1.162 18492
3868 1 12 . 1 1 26 26 THR H H 8 8.242 8.242 7.764 0.478 18492
3869 1 12 . 1 1 27 27 ALA N N 9 125.226 125.226 123.856 1.370 18492
3870 1 12 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.009 -0.130 18492
3871 1 12 . 1 1 27 27 ALA C C 9 179.361 179.361 178.801 0.560 18492
3872 1 12 . 1 1 27 27 ALA CA C 9 55.744 55.744 54.723 1.021 18492
3873 1 12 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.779 -0.090 18492
3874 1 12 . 1 1 27 27 ALA H H 9 8.605 8.605 8.080 0.525 18492
3875 1 12 . 1 1 28 28 LYS N N 10 116.449 116.449 119.667 -3.218 18492
3876 1 12 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.071 -0.177 18492
3877 1 12 . 1 1 28 28 LYS C C 10 179.264 179.264 178.684 0.580 18492
3878 1 12 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.257 1.997 18492
3879 1 12 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.328 -0.135 18492
3880 1 12 . 1 1 28 28 LYS H H 10 8.149 8.149 7.858 0.291 18492
3881 1 12 . 1 1 29 29 LYS N N 11 121.248 121.248 118.791 2.457 18492
3882 1 12 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.067 -0.040 18492
3883 1 12 . 1 1 29 29 LYS C C 11 179.168 179.168 178.842 0.326 18492
3884 1 12 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.845 0.766 18492
3885 1 12 . 1 1 29 29 LYS CB C 11 32.109 32.109 32.018 0.091 18492
3886 1 12 . 1 1 29 29 LYS H H 11 7.747 7.747 7.899 -0.151 18492
3887 1 12 . 1 1 30 30 GLY N N 12 108.727 108.727 107.568 1.159 18492
3888 1 12 . 1 1 30 30 GLY C C 12 174.800 174.800 176.072 -1.272 18492
3889 1 12 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.095 1.924 18492
3890 1 12 . 1 1 30 30 GLY H H 12 8.838 8.838 7.814 1.024 18492
3891 1 12 . 1 1 31 31 LEU N N 13 124.189 124.189 122.146 2.043 18492
3892 1 12 . 1 1 31 31 LEU HA H 13 4.089 4.089 3.874 0.215 18492
3893 1 12 . 1 1 31 31 LEU C C 13 179.023 179.023 179.154 -0.131 18492
3894 1 12 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.222 0.257 18492
3895 1 12 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.710 0.845 18492
3896 1 12 . 1 1 31 31 LEU H H 13 8.520 8.520 7.960 0.560 18492
3897 1 12 . 1 1 32 32 LEU N N 14 119.512 119.512 120.110 -0.598 18492
3898 1 12 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.724 0.234 18492
3899 1 12 . 1 1 32 32 LEU C C 14 178.844 178.844 178.334 0.510 18492
3900 1 12 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.652 0.283 18492
3901 1 12 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.922 -0.257 18492
3902 1 12 . 1 1 32 32 LEU H H 14 7.322 7.322 7.723 -0.401 18492
3903 1 12 . 1 1 33 33 GLU N N 15 117.254 117.254 117.924 -0.670 18492
3904 1 12 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.745 0.257 18492
3905 1 12 . 1 1 33 33 GLU C C 15 178.636 178.636 178.932 -0.296 18492
3906 1 12 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.640 0.037 18492
3907 1 12 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.471 0.952 18492
3908 1 12 . 1 1 33 33 GLU H H 15 7.940 7.940 7.635 0.305 18492
3909 1 12 . 1 1 34 34 HIS N N 16 113.397 113.397 114.985 -1.588 18492
3910 1 12 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.323 0.443 18492
3911 1 12 . 1 1 34 34 HIS C C 16 176.465 176.465 175.961 0.504 18492
3912 1 12 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.215 -1.688 18492
3913 1 12 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.019 2.375 18492
3914 1 12 . 1 1 34 34 HIS H H 16 8.732 8.732 8.080 0.652 18492
3915 1 12 . 1 1 35 35 GLY N N 17 112.392 112.392 107.423 4.969 18492
3916 1 12 . 1 1 35 35 GLY C C 17 172.914 172.914 174.072 -1.158 18492
3917 1 12 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.822 0.909 18492
3918 1 12 . 1 1 35 35 GLY H H 17 7.475 7.475 7.641 -0.166 18492
3919 1 12 . 1 1 36 36 ARG N N 18 121.605 121.605 117.657 3.948 18492
3920 1 12 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.237 -0.552 18492
3921 1 12 . 1 1 36 36 ARG C C 18 174.673 174.673 174.649 0.024 18492
3922 1 12 . 1 1 36 36 ARG CA C 18 54.676 54.676 57.222 -2.546 18492
3923 1 12 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.288 -1.518 18492
3924 1 12 . 1 1 36 36 ARG H H 18 7.805 7.805 7.814 -0.009 18492
3925 1 12 . 1 1 37 37 ASN N N 19 118.725 118.725 117.719 1.006 18492
3926 1 12 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.621 -0.161 18492
3927 1 12 . 1 1 37 37 ASN C C 19 175.272 175.272 175.994 -0.722 18492
3928 1 12 . 1 1 37 37 ASN CA C 19 50.354 50.354 53.460 -3.106 18492
3929 1 12 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.439 -0.265 18492
3930 1 12 . 1 1 37 37 ASN H H 19 6.939 6.939 8.174 -1.235 18492
3931 1 12 . 1 1 38 38 TRP N N 20 123.054 123.054 124.414 -1.360 18492
3932 1 12 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.324 0.088 18492
3933 1 12 . 1 1 38 38 TRP C C 20 177.950 177.950 178.292 -0.342 18492
3934 1 12 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.445 -1.643 18492
3935 1 12 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.970 1.630 18492
3936 1 12 . 1 1 38 38 TRP H H 20 7.064 7.064 7.960 -0.896 18492
3937 1 12 . 1 1 39 39 SER N N 21 112.959 112.959 114.636 -1.677 18492
3938 1 12 . 1 1 39 39 SER HA H 21 4.171 4.171 4.114 0.057 18492
3939 1 12 . 1 1 39 39 SER C C 21 176.653 176.653 176.280 0.373 18492
3940 1 12 . 1 1 39 39 SER CA C 21 61.632 61.632 61.626 0.006 18492
3941 1 12 . 1 1 39 39 SER CB C 21 62.389 62.389 62.571 -0.182 18492
3942 1 12 . 1 1 39 39 SER H H 21 8.526 8.526 8.378 0.148 18492
3943 1 12 . 1 1 40 40 ALA N N 22 124.572 124.572 124.114 0.458 18492
3944 1 12 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.035 -0.226 18492
3945 1 12 . 1 1 40 40 ALA C C 22 180.307 180.307 179.971 0.336 18492
3946 1 12 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.804 -0.468 18492
3947 1 12 . 1 1 40 40 ALA CB C 22 16.820 16.820 17.987 -1.167 18492
3948 1 12 . 1 1 40 40 ALA H H 22 7.130 7.130 7.712 -0.582 18492
3949 1 12 . 1 1 41 41 ILE N N 23 118.436 118.436 118.001 0.435 18492
3950 1 12 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.668 -0.083 18492
3951 1 12 . 1 1 41 41 ILE C C 23 177.684 177.684 177.705 -0.021 18492
3952 1 12 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.614 4.256 18492
3953 1 12 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.480 1.972 18492
3954 1 12 . 1 1 41 41 ILE H H 23 7.750 7.750 7.531 0.219 18492
3955 1 12 . 1 1 42 42 ALA N N 24 122.987 122.987 123.053 -0.066 18492
3956 1 12 . 1 1 42 42 ALA HA H 24 3.920 3.920 3.995 -0.075 18492
3957 1 12 . 1 1 42 42 ALA C C 24 180.335 180.335 179.678 0.657 18492
3958 1 12 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.380 0.722 18492
3959 1 12 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.394 -0.060 18492
3960 1 12 . 1 1 42 42 ALA H H 24 8.730 8.730 8.447 0.283 18492
3961 1 12 . 1 1 43 43 ARG N N 25 117.188 117.188 117.233 -0.045 18492
3962 1 12 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.184 -0.162 18492
3963 1 12 . 1 1 43 43 ARG C C 25 178.559 178.559 178.855 -0.296 18492
3964 1 12 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.881 0.185 18492
3965 1 12 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.410 -0.456 18492
3966 1 12 . 1 1 43 43 ARG H H 25 7.511 7.511 7.837 -0.326 18492
3967 1 12 . 1 1 44 44 MET N N 26 117.388 117.388 119.941 -2.553 18492
3968 1 12 . 1 1 44 44 MET HA H 26 4.029 4.029 4.218 -0.189 18492
3969 1 12 . 1 1 44 44 MET C C 26 177.655 177.655 177.558 0.097 18492
3970 1 12 . 1 1 44 44 MET CA C 26 58.926 58.926 58.799 0.127 18492
3971 1 12 . 1 1 44 44 MET CB C 26 34.267 34.267 32.937 1.330 18492
3972 1 12 . 1 1 44 44 MET H H 26 7.399 7.399 7.732 -0.333 18492
3973 1 12 . 1 1 45 45 VAL N N 27 119.232 119.232 114.787 4.445 18492
3974 1 12 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.285 -0.704 18492
3975 1 12 . 1 1 45 45 VAL C C 27 178.991 178.991 177.542 1.449 18492
3976 1 12 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.116 1.643 18492
3977 1 12 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.043 0.362 18492
3978 1 12 . 1 1 45 45 VAL H H 27 8.526 8.526 8.086 0.440 18492
3979 1 12 . 1 1 46 46 GLY N N 28 108.996 108.996 108.139 0.857 18492
3980 1 12 . 1 1 46 46 GLY C C 28 175.739 175.739 175.206 0.533 18492
3981 1 12 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.399 1.851 18492
3982 1 12 . 1 1 46 46 GLY H H 28 8.663 8.663 7.780 0.883 18492
3983 1 12 . 1 1 47 47 SER N N 29 112.827 112.827 113.768 -0.941 18492
3984 1 12 . 1 1 47 47 SER HA H 29 4.291 4.291 4.239 0.052 18492
3985 1 12 . 1 1 47 47 SER C C 29 173.701 173.701 173.745 -0.044 18492
3986 1 12 . 1 1 47 47 SER CA C 29 57.352 57.352 59.340 -1.988 18492
3987 1 12 . 1 1 47 47 SER CB C 29 62.198 62.198 62.062 0.136 18492
3988 1 12 . 1 1 47 47 SER H H 29 7.948 7.948 7.842 0.106 18492
3989 1 12 . 1 1 48 48 LYS N N 30 119.562 119.562 119.294 0.268 18492
3990 1 12 . 1 1 48 48 LYS H H 30 6.655 6.655 8.181 -1.526 18492
3991 1 12 . 1 1 49 49 THR N N 31 111.264 111.264 115.622 -4.358 18492
3992 1 12 . 1 1 49 49 THR HA H 31 4.377 4.377 4.269 0.108 18492
3993 1 12 . 1 1 49 49 THR C C 31 176.481 176.481 176.531 -0.050 18492
3994 1 12 . 1 1 49 49 THR CA C 31 60.302 60.302 62.205 -1.903 18492
3995 1 12 . 1 1 49 49 THR CB C 31 72.012 72.012 69.401 2.611 18492
3996 1 12 . 1 1 49 49 THR H H 31 8.900 8.900 8.253 0.647 18492
3997 1 12 . 1 1 50 50 VAL N N 32 121.079 121.079 125.136 -4.057 18492
3998 1 12 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.729 -0.209 18492
3999 1 12 . 1 1 50 50 VAL C C 32 177.818 177.818 178.328 -0.510 18492
4000 1 12 . 1 1 50 50 VAL CA C 32 68.065 68.065 66.069 1.996 18492
4001 1 12 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.443 0.387 18492
4002 1 12 . 1 1 50 50 VAL H H 32 8.697 8.697 8.780 -0.083 18492
4003 1 12 . 1 1 51 51 SER N N 33 113.769 113.769 114.517 -0.748 18492
4004 1 12 . 1 1 51 51 SER HA H 33 3.995 3.995 4.046 -0.051 18492
4005 1 12 . 1 1 51 51 SER C C 33 177.346 177.346 176.505 0.841 18492
4006 1 12 . 1 1 51 51 SER CA C 33 61.640 61.640 61.388 0.252 18492
4007 1 12 . 1 1 51 51 SER CB C 33 62.431 62.431 62.679 -0.248 18492
4008 1 12 . 1 1 51 51 SER H H 33 8.334 8.334 8.173 0.161 18492
4009 1 12 . 1 1 52 52 GLN N N 34 120.084 120.084 120.053 0.031 18492
4010 1 12 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.219 0.084 18492
4011 1 12 . 1 1 52 52 GLN C C 34 180.343 180.343 178.301 2.042 18492
4012 1 12 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.934 0.348 18492
4013 1 12 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.788 0.774 18492
4014 1 12 . 1 1 52 52 GLN H H 34 7.781 7.781 8.026 -0.245 18492
4015 1 12 . 1 1 53 53 CYS N N 35 120.950 120.950 117.311 3.639 18492
4016 1 12 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.319 0.140 18492
4017 1 12 . 1 1 53 53 CYS C C 35 175.170 175.170 176.775 -1.605 18492
4018 1 12 . 1 1 53 53 CYS CA C 35 65.582 65.582 61.423 4.159 18492
4019 1 12 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.890 0.224 18492
4020 1 12 . 1 1 53 53 CYS H H 35 8.748 8.748 7.936 0.812 18492
4021 1 12 . 1 1 54 54 LYS N N 36 120.488 120.488 119.953 0.535 18492
4022 1 12 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.820 -1.595 18492
4023 1 12 . 1 1 54 54 LYS C C 36 177.848 177.848 179.138 -1.290 18492
4024 1 12 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.133 0.328 18492
4025 1 12 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.876 0.058 18492
4026 1 12 . 1 1 54 54 LYS H H 36 7.790 7.790 7.457 0.333 18492
4027 1 12 . 1 1 55 55 ASN N N 37 116.085 116.085 117.396 -1.311 18492
4028 1 12 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.679 -0.255 18492
4029 1 12 . 1 1 55 55 ASN C C 37 177.149 177.149 176.935 0.214 18492
4030 1 12 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.610 0.476 18492
4031 1 12 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.787 -0.318 18492
4032 1 12 . 1 1 55 55 ASN H H 37 7.988 7.988 8.143 -0.155 18492
4033 1 12 . 1 1 56 56 PHE N N 38 121.512 121.512 119.829 1.683 18492
4034 1 12 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.124 -0.544 18492
4035 1 12 . 1 1 56 56 PHE C C 38 175.968 175.968 176.458 -0.490 18492
4036 1 12 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.394 0.263 18492
4037 1 12 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.970 -0.109 18492
4038 1 12 . 1 1 56 56 PHE H H 38 8.117 8.117 7.969 0.148 18492
4039 1 12 . 1 1 57 57 TYR N N 39 114.465 114.465 118.592 -4.127 18492
4040 1 12 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.980 -0.313 18492
4041 1 12 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.398 1.450 18492
4042 1 12 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.804 -0.084 18492
4043 1 12 . 1 1 57 57 TYR H H 39 7.723 7.723 7.579 0.144 18492
4044 1 12 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.225 -0.138 18492
4045 1 12 . 1 1 66 66 LEU C C 48 179.076 179.076 178.182 0.894 18492
4046 1 12 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.529 -0.265 18492
4047 1 12 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.249 -0.097 18492
4048 1 12 . 1 1 67 67 ASP N N 49 118.908 118.908 119.368 -0.460 18492
4049 1 12 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.351 0.346 18492
4050 1 12 . 1 1 67 67 ASP C C 49 179.483 179.483 178.347 1.136 18492
4051 1 12 . 1 1 67 67 ASP CA C 49 57.486 57.486 58.025 -0.539 18492
4052 1 12 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.902 -1.824 18492
4053 1 12 . 1 1 67 67 ASP H H 49 8.630 8.630 8.664 -0.034 18492
4054 1 12 . 1 1 68 68 GLU N N 50 122.261 122.261 119.965 2.296 18492
4055 1 12 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.082 0.040 18492
4056 1 12 . 1 1 68 68 GLU C C 50 179.120 179.120 178.873 0.247 18492
4057 1 12 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.228 0.153 18492
4058 1 12 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.777 -0.594 18492
4059 1 12 . 1 1 68 68 GLU H H 50 7.906 7.906 7.608 0.298 18492
4060 1 12 . 1 1 69 69 ILE N N 51 120.582 120.582 120.874 -0.292 18492
4061 1 12 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.687 0.107 18492
4062 1 12 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.240 -0.511 18492
4063 1 12 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.739 -0.276 18492
4064 1 12 . 1 1 69 69 ILE H H 51 7.296 7.296 7.801 -0.505 18492
4065 1 12 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.105 -0.017 18492
4066 1 12 . 1 1 70 70 LEU C C 52 180.091 180.091 179.262 0.829 18492
4067 1 12 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.818 0.033 18492
4068 1 12 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.816 0.349 18492
4069 1 12 . 1 1 71 71 GLN N N 53 121.069 121.069 118.898 2.171 18492
4070 1 12 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.028 0.152 18492
4071 1 12 . 1 1 71 71 GLN C C 53 178.551 178.551 178.413 0.138 18492
4072 1 12 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.620 0.181 18492
4073 1 12 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.208 -0.457 18492
4074 1 12 . 1 1 71 71 GLN H H 53 8.075 8.075 7.770 0.305 18492
4075 1 12 . 1 1 72 72 GLN N N 54 119.983 119.983 118.587 1.396 18492
4076 1 12 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.049 -0.029 18492
4077 1 12 . 1 1 72 72 GLN C C 54 179.376 179.376 178.312 1.064 18492
4078 1 12 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.501 0.331 18492
4079 1 12 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.157 -0.079 18492
4080 1 12 . 1 1 72 72 GLN H H 54 7.900 7.900 8.437 -0.537 18492
4081 1 12 . 1 1 73 73 HIS N N 55 120.410 120.410 119.834 0.576 18492
4082 1 12 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.146 0.168 18492
4083 1 12 . 1 1 73 73 HIS C C 55 176.222 176.222 177.150 -0.928 18492
4084 1 12 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.949 0.053 18492
4085 1 12 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.985 -1.822 18492
4086 1 12 . 1 1 73 73 HIS H H 55 8.637 8.637 8.124 0.513 18492
4087 1 12 . 1 1 74 74 LYS N N 56 120.014 120.014 119.970 0.044 18492
4088 1 12 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.955 -0.190 18492
4089 1 12 . 1 1 74 74 LYS C C 56 179.024 179.024 178.819 0.205 18492
4090 1 12 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.765 -0.119 18492
4091 1 12 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.505 -0.310 18492
4092 1 12 . 1 1 74 74 LYS H H 56 7.944 7.944 7.936 0.008 18492
4093 1 12 . 1 1 75 75 LEU N N 57 119.352 119.352 116.737 2.615 18492
4094 1 12 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.149 -0.095 18492
4095 1 12 . 1 1 75 75 LEU C C 57 179.386 179.386 178.934 0.452 18492
4096 1 12 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.888 -0.242 18492
4097 1 12 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.233 0.545 18492
4098 1 12 . 1 1 75 75 LEU H H 57 7.870 7.870 7.909 -0.039 18492
4099 1 12 . 1 1 76 76 LYS N N 58 121.054 121.054 119.998 1.056 18492
4100 1 12 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.884 0.084 18492
4101 1 12 . 1 1 76 76 LYS C C 58 178.872 178.872 178.773 0.099 18492
4102 1 12 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.407 -0.101 18492
4103 1 12 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.132 0.121 18492
4104 1 12 . 1 1 76 76 LYS H H 58 7.943 7.943 8.108 -0.165 18492
4105 1 12 . 1 1 77 77 MET N N 59 117.676 117.676 119.877 -2.201 18492
4106 1 12 . 1 1 77 77 MET HA H 59 4.164 4.164 3.902 0.262 18492
4107 1 12 . 1 1 77 77 MET C C 59 179.131 179.131 177.695 1.436 18492
4108 1 12 . 1 1 77 77 MET CA C 59 57.271 57.271 59.172 -1.901 18492
4109 1 12 . 1 1 77 77 MET CB C 59 31.676 31.676 32.321 -0.645 18492
4110 1 12 . 1 1 77 77 MET H H 59 7.910 7.910 7.743 0.167 18492
4111 1 12 . 1 1 78 78 GLU N N 60 120.695 120.695 118.962 1.733 18492
4112 1 12 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.902 0.098 18492
4113 1 12 . 1 1 78 78 GLU C C 60 178.407 178.407 178.813 -0.406 18492
4114 1 12 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.891 -0.613 18492
4115 1 12 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.593 -0.124 18492
4116 1 12 . 1 1 78 78 GLU H H 60 8.005 8.005 8.172 -0.167 18492
4117 1 12 . 1 1 79 79 LYS N N 61 119.944 119.944 117.884 2.060 18492
4118 1 12 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.046 0.028 18492
4119 1 12 . 1 1 79 79 LYS C C 61 179.350 179.350 179.109 0.241 18492
4120 1 12 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.113 -0.061 18492
4121 1 12 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.298 -0.057 18492
4122 1 12 . 1 1 79 79 LYS H H 61 7.993 7.993 7.659 0.334 18492
4123 1 12 . 1 1 80 80 GLU N N 62 119.421 119.421 119.269 0.152 18492
4124 1 12 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.065 -0.013 18492
4125 1 12 . 1 1 80 80 GLU C C 62 178.434 178.434 178.869 -0.435 18492
4126 1 12 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.797 -0.219 18492
4127 1 12 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.154 0.357 18492
4128 1 12 . 1 1 80 80 GLU H H 62 8.011 8.011 8.051 -0.040 18492
4129 1 12 . 1 1 81 81 ARG N N 63 120.087 120.087 120.202 -0.115 18492
4130 1 12 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.057 0.006 18492
4131 1 12 . 1 1 81 81 ARG C C 63 178.289 178.289 178.480 -0.191 18492
4132 1 12 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.227 -0.498 18492
4133 1 12 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.264 -0.280 18492
4134 1 12 . 1 1 81 81 ARG H H 63 8.038 8.038 8.213 -0.175 18492
4135 1 12 . 1 1 82 82 ASN N N 64 117.835 117.835 117.927 -0.092 18492
4136 1 12 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.546 -0.020 18492
4137 1 12 . 1 1 82 82 ASN C C 64 176.397 176.397 176.690 -0.293 18492
4138 1 12 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.796 -1.121 18492
4139 1 12 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.390 0.105 18492
4140 1 12 . 1 1 82 82 ASN H H 64 8.176 8.176 8.029 0.147 18492
4141 1 12 . 1 1 83 83 ALA N N 65 122.797 122.797 121.245 1.552 18492
4142 1 12 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.274 -0.070 18492
4143 1 12 . 1 1 83 83 ALA C C 65 178.776 178.776 179.338 -0.562 18492
4144 1 12 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.220 -0.462 18492
4145 1 12 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.857 -0.088 18492
4146 1 12 . 1 1 83 83 ALA H H 65 7.883 7.883 7.758 0.125 18492
4147 1 12 . 1 1 84 84 ARG N N 66 118.042 118.042 117.686 0.356 18492
4148 1 12 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.213 0.000 18492
4149 1 12 . 1 1 84 84 ARG C C 66 177.040 177.040 177.984 -0.944 18492
4150 1 12 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.210 -1.140 18492
4151 1 12 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.206 0.179 18492
4152 1 12 . 1 1 84 84 ARG H H 66 7.855 7.855 7.706 0.149 18492
4153 1 12 . 1 1 85 85 ARG N N 67 120.431 120.431 118.818 1.613 18492
4154 1 12 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.329 -0.115 18492
4155 1 12 . 1 1 85 85 ARG C C 67 176.547 176.547 176.196 0.351 18492
4156 1 12 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.713 1.173 18492
4157 1 12 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.999 0.326 18492
4158 1 12 . 1 1 85 85 ARG H H 67 7.873 7.873 7.835 0.038 18492
4159 1 12 . 1 1 86 86 LYS N N 68 121.690 121.690 116.340 5.350 18492
4160 1 12 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.099 0.166 18492
4161 1 12 . 1 1 86 86 LYS C C 68 176.561 176.561 175.697 0.864 18492
4162 1 12 . 1 1 86 86 LYS CA C 68 56.926 56.926 57.775 -0.849 18492
4163 1 12 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.012 1.874 18492
4164 1 12 . 1 1 86 86 LYS H H 68 8.040 8.040 7.967 0.073 18492
4165 1 12 . 1 1 87 87 LYS N N 69 122.486 122.486 120.123 2.363 18492
4166 1 12 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.515 -0.246 18492
4167 1 12 . 1 1 87 87 LYS C C 69 176.383 176.383 175.365 1.018 18492
4168 1 12 . 1 1 87 87 LYS CA C 69 56.500 56.500 53.714 2.786 18492
4169 1 12 . 1 1 87 87 LYS CB C 69 33.100 33.100 33.883 -0.783 18492
4170 1 12 . 1 1 87 87 LYS H H 69 8.116 8.116 7.755 0.361 18492
4171 1 12 . 1 1 88 88 LYS N N 70 123.589 123.589 119.158 4.431 18492
4172 1 12 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.122 0.125 18492
4173 1 12 . 1 1 88 88 LYS C C 70 175.618 175.618 174.816 0.802 18492
4174 1 12 . 1 1 88 88 LYS CA C 70 56.693 56.693 57.093 -0.400 18492
4175 1 12 . 1 1 88 88 LYS CB C 70 33.089 33.089 31.611 1.478 18492
4176 1 12 . 1 1 88 88 LYS H H 70 8.247 8.247 8.378 -0.131 18492
4177 1 13 . 1 1 20 20 THR N N 2 114.872 114.872 120.283 -5.411 18492
4178 1 13 . 1 1 20 20 THR HA H 2 4.639 4.639 4.322 0.317 18492
4179 1 13 . 1 1 20 20 THR C C 2 175.858 175.858 175.599 0.259 18492
4180 1 13 . 1 1 20 20 THR CA C 2 59.992 59.992 62.041 -2.049 18492
4181 1 13 . 1 1 20 20 THR CB C 2 71.359 71.359 70.052 1.307 18492
4182 1 13 . 1 1 20 20 THR H H 2 9.423 9.423 8.414 1.009 18492
4183 1 13 . 1 1 21 21 GLU N N 3 121.694 121.694 123.275 -1.581 18492
4184 1 13 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.965 0.054 18492
4185 1 13 . 1 1 21 21 GLU C C 3 179.808 179.808 178.795 1.013 18492
4186 1 13 . 1 1 21 21 GLU CA C 3 60.242 60.242 60.286 -0.044 18492
4187 1 13 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.498 -0.165 18492
4188 1 13 . 1 1 21 21 GLU H H 3 9.120 9.120 8.925 0.195 18492
4189 1 13 . 1 1 22 22 GLU N N 4 120.617 120.617 117.690 2.927 18492
4190 1 13 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.057 0.045 18492
4191 1 13 . 1 1 22 22 GLU C C 4 179.604 179.604 178.909 0.695 18492
4192 1 13 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.634 0.269 18492
4193 1 13 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.250 -0.081 18492
4194 1 13 . 1 1 22 22 GLU H H 4 8.735 8.735 8.841 -0.106 18492
4195 1 13 . 1 1 23 23 GLU N N 5 120.811 120.811 118.750 2.061 18492
4196 1 13 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.178 -0.104 18492
4197 1 13 . 1 1 23 23 GLU C C 5 179.511 179.511 179.024 0.487 18492
4198 1 13 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.324 1.143 18492
4199 1 13 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.256 2.157 18492
4200 1 13 . 1 1 23 23 GLU H H 5 7.887 7.887 7.842 0.045 18492
4201 1 13 . 1 1 24 24 MET N N 6 117.260 117.260 121.633 -4.373 18492
4202 1 13 . 1 1 24 24 MET HA H 6 3.665 3.665 4.223 -0.558 18492
4203 1 13 . 1 1 24 24 MET C C 6 178.480 178.480 178.306 0.174 18492
4204 1 13 . 1 1 24 24 MET CA C 6 60.134 60.134 58.106 2.028 18492
4205 1 13 . 1 1 24 24 MET CB C 6 33.059 33.059 32.435 0.624 18492
4206 1 13 . 1 1 24 24 MET H H 6 8.607 8.607 8.776 -0.169 18492
4207 1 13 . 1 1 25 25 GLY N N 7 106.564 106.564 104.735 1.829 18492
4208 1 13 . 1 1 25 25 GLY C C 7 177.376 177.376 175.891 1.485 18492
4209 1 13 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.184 0.148 18492
4210 1 13 . 1 1 25 25 GLY H H 7 8.494 8.494 8.382 0.112 18492
4211 1 13 . 1 1 26 26 THR N N 8 121.127 121.127 119.310 1.817 18492
4212 1 13 . 1 1 26 26 THR HA H 8 3.956 3.956 3.988 -0.032 18492
4213 1 13 . 1 1 26 26 THR C C 8 175.895 175.895 175.976 -0.081 18492
4214 1 13 . 1 1 26 26 THR CA C 8 66.737 66.737 66.941 -0.204 18492
4215 1 13 . 1 1 26 26 THR CB C 8 67.623 67.623 68.378 -0.755 18492
4216 1 13 . 1 1 26 26 THR H H 8 8.242 8.242 7.726 0.516 18492
4217 1 13 . 1 1 27 27 ALA N N 9 125.226 125.226 124.849 0.377 18492
4218 1 13 . 1 1 27 27 ALA HA H 9 3.879 3.879 3.806 0.073 18492
4219 1 13 . 1 1 27 27 ALA C C 9 179.361 179.361 178.730 0.631 18492
4220 1 13 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.029 0.715 18492
4221 1 13 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.397 0.292 18492
4222 1 13 . 1 1 27 27 ALA H H 9 8.605 8.605 7.922 0.683 18492
4223 1 13 . 1 1 28 28 LYS N N 10 116.449 116.449 118.416 -1.967 18492
4224 1 13 . 1 1 28 28 LYS HA H 10 3.894 3.894 3.952 -0.058 18492
4225 1 13 . 1 1 28 28 LYS C C 10 179.264 179.264 178.628 0.636 18492
4226 1 13 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.619 1.635 18492
4227 1 13 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.464 -0.272 18492
4228 1 13 . 1 1 28 28 LYS H H 10 8.149 8.149 7.905 0.244 18492
4229 1 13 . 1 1 29 29 LYS N N 11 121.248 121.248 118.971 2.277 18492
4230 1 13 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.066 -0.039 18492
4231 1 13 . 1 1 29 29 LYS C C 11 179.168 179.168 179.147 0.021 18492
4232 1 13 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.843 0.768 18492
4233 1 13 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.990 0.119 18492
4234 1 13 . 1 1 29 29 LYS H H 11 7.747 7.747 7.659 0.088 18492
4235 1 13 . 1 1 30 30 GLY N N 12 108.727 108.727 106.330 2.397 18492
4236 1 13 . 1 1 30 30 GLY C C 12 174.800 174.800 176.644 -1.844 18492
4237 1 13 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.107 1.912 18492
4238 1 13 . 1 1 30 30 GLY H H 12 8.838 8.838 7.908 0.930 18492
4239 1 13 . 1 1 31 31 LEU N N 13 124.189 124.189 122.324 1.865 18492
4240 1 13 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.125 -0.036 18492
4241 1 13 . 1 1 31 31 LEU C C 13 179.023 179.023 178.459 0.564 18492
4242 1 13 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.122 0.357 18492
4243 1 13 . 1 1 31 31 LEU CB C 13 42.555 42.555 42.149 0.406 18492
4244 1 13 . 1 1 31 31 LEU H H 13 8.520 8.520 7.838 0.682 18492
4245 1 13 . 1 1 32 32 LEU N N 14 119.512 119.512 119.684 -0.172 18492
4246 1 13 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.139 -0.181 18492
4247 1 13 . 1 1 32 32 LEU C C 14 178.844 178.844 178.113 0.731 18492
4248 1 13 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.080 0.855 18492
4249 1 13 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.354 -0.689 18492
4250 1 13 . 1 1 32 32 LEU H H 14 7.322 7.322 8.190 -0.868 18492
4251 1 13 . 1 1 33 33 GLU N N 15 117.254 117.254 118.105 -0.851 18492
4252 1 13 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.043 -0.041 18492
4253 1 13 . 1 1 33 33 GLU C C 15 178.636 178.636 178.441 0.195 18492
4254 1 13 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.309 0.368 18492
4255 1 13 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.674 0.749 18492
4256 1 13 . 1 1 33 33 GLU H H 15 7.940 7.940 7.809 0.131 18492
4257 1 13 . 1 1 34 34 HIS N N 16 113.397 113.397 115.671 -2.274 18492
4258 1 13 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.397 0.369 18492
4259 1 13 . 1 1 34 34 HIS C C 16 176.465 176.465 176.007 0.458 18492
4260 1 13 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.892 -2.365 18492
4261 1 13 . 1 1 34 34 HIS CB C 16 32.394 32.394 31.328 1.066 18492
4262 1 13 . 1 1 34 34 HIS H H 16 8.732 8.732 8.031 0.701 18492
4263 1 13 . 1 1 35 35 GLY N N 17 112.392 112.392 107.889 4.503 18492
4264 1 13 . 1 1 35 35 GLY C C 17 172.914 172.914 173.641 -0.727 18492
4265 1 13 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.840 0.891 18492
4266 1 13 . 1 1 35 35 GLY H H 17 7.475 7.475 7.592 -0.117 18492
4267 1 13 . 1 1 36 36 ARG N N 18 121.605 121.605 118.342 3.263 18492
4268 1 13 . 1 1 36 36 ARG HA H 18 2.685 2.685 2.703 -0.018 18492
4269 1 13 . 1 1 36 36 ARG C C 18 174.673 174.673 174.441 0.232 18492
4270 1 13 . 1 1 36 36 ARG CA C 18 54.676 54.676 57.460 -2.784 18492
4271 1 13 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.418 -0.648 18492
4272 1 13 . 1 1 36 36 ARG H H 18 7.805 7.805 8.328 -0.523 18492
4273 1 13 . 1 1 37 37 ASN N N 19 118.725 118.725 118.145 0.580 18492
4274 1 13 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.444 0.016 18492
4275 1 13 . 1 1 37 37 ASN C C 19 175.272 175.272 175.808 -0.536 18492
4276 1 13 . 1 1 37 37 ASN CA C 19 50.354 50.354 53.148 -2.794 18492
4277 1 13 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.757 0.417 18492
4278 1 13 . 1 1 37 37 ASN H H 19 6.939 6.939 8.022 -1.083 18492
4279 1 13 . 1 1 38 38 TRP N N 20 123.054 123.054 122.765 0.289 18492
4280 1 13 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.316 0.096 18492
4281 1 13 . 1 1 38 38 TRP C C 20 177.950 177.950 178.153 -0.203 18492
4282 1 13 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.548 -0.746 18492
4283 1 13 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.834 1.766 18492
4284 1 13 . 1 1 38 38 TRP H H 20 7.064 7.064 7.464 -0.400 18492
4285 1 13 . 1 1 39 39 SER N N 21 112.959 112.959 114.515 -1.556 18492
4286 1 13 . 1 1 39 39 SER HA H 21 4.171 4.171 4.081 0.090 18492
4287 1 13 . 1 1 39 39 SER C C 21 176.653 176.653 176.256 0.397 18492
4288 1 13 . 1 1 39 39 SER CA C 21 61.632 61.632 61.001 0.631 18492
4289 1 13 . 1 1 39 39 SER CB C 21 62.389 62.389 62.277 0.112 18492
4290 1 13 . 1 1 39 39 SER H H 21 8.526 8.526 8.248 0.278 18492
4291 1 13 . 1 1 40 40 ALA N N 22 124.572 124.572 124.519 0.053 18492
4292 1 13 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.054 -0.245 18492
4293 1 13 . 1 1 40 40 ALA C C 22 180.307 180.307 179.747 0.560 18492
4294 1 13 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.561 -0.225 18492
4295 1 13 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.189 -1.369 18492
4296 1 13 . 1 1 40 40 ALA H H 22 7.130 7.130 7.624 -0.494 18492
4297 1 13 . 1 1 41 41 ILE N N 23 118.436 118.436 118.263 0.173 18492
4298 1 13 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.781 -0.196 18492
4299 1 13 . 1 1 41 41 ILE C C 23 177.684 177.684 177.856 -0.172 18492
4300 1 13 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.215 3.656 18492
4301 1 13 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.453 1.999 18492
4302 1 13 . 1 1 41 41 ILE H H 23 7.750 7.750 7.901 -0.151 18492
4303 1 13 . 1 1 42 42 ALA N N 24 122.987 122.987 122.641 0.346 18492
4304 1 13 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.057 -0.137 18492
4305 1 13 . 1 1 42 42 ALA C C 24 180.335 180.335 179.730 0.605 18492
4306 1 13 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.350 0.752 18492
4307 1 13 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.472 -0.138 18492
4308 1 13 . 1 1 42 42 ALA H H 24 8.730 8.730 8.351 0.379 18492
4309 1 13 . 1 1 43 43 ARG N N 25 117.188 117.188 116.927 0.261 18492
4310 1 13 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.177 -0.155 18492
4311 1 13 . 1 1 43 43 ARG C C 25 178.559 178.559 178.964 -0.405 18492
4312 1 13 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.505 0.561 18492
4313 1 13 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.241 -0.287 18492
4314 1 13 . 1 1 43 43 ARG H H 25 7.511 7.511 7.610 -0.099 18492
4315 1 13 . 1 1 44 44 MET N N 26 117.388 117.388 119.766 -2.378 18492
4316 1 13 . 1 1 44 44 MET HA H 26 4.029 4.029 4.210 -0.181 18492
4317 1 13 . 1 1 44 44 MET C C 26 177.655 177.655 177.597 0.058 18492
4318 1 13 . 1 1 44 44 MET CA C 26 58.926 58.926 58.614 0.312 18492
4319 1 13 . 1 1 44 44 MET CB C 26 34.267 34.267 33.066 1.201 18492
4320 1 13 . 1 1 44 44 MET H H 26 7.399 7.399 7.624 -0.225 18492
4321 1 13 . 1 1 45 45 VAL N N 27 119.232 119.232 112.666 6.566 18492
4322 1 13 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.172 -0.591 18492
4323 1 13 . 1 1 45 45 VAL C C 27 178.991 178.991 177.477 1.514 18492
4324 1 13 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.248 1.511 18492
4325 1 13 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.276 0.129 18492
4326 1 13 . 1 1 45 45 VAL H H 27 8.526 8.526 8.227 0.299 18492
4327 1 13 . 1 1 46 46 GLY N N 28 108.996 108.996 106.885 2.111 18492
4328 1 13 . 1 1 46 46 GLY C C 28 175.739 175.739 174.947 0.792 18492
4329 1 13 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.039 2.211 18492
4330 1 13 . 1 1 46 46 GLY H H 28 8.663 8.663 7.866 0.797 18492
4331 1 13 . 1 1 47 47 SER N N 29 112.827 112.827 113.403 -0.576 18492
4332 1 13 . 1 1 47 47 SER HA H 29 4.291 4.291 4.178 0.113 18492
4333 1 13 . 1 1 47 47 SER C C 29 173.701 173.701 174.368 -0.667 18492
4334 1 13 . 1 1 47 47 SER CA C 29 57.352 57.352 59.873 -2.521 18492
4335 1 13 . 1 1 47 47 SER CB C 29 62.198 62.198 61.626 0.572 18492
4336 1 13 . 1 1 47 47 SER H H 29 7.948 7.948 7.930 0.018 18492
4337 1 13 . 1 1 48 48 LYS N N 30 119.562 119.562 118.951 0.611 18492
4338 1 13 . 1 1 48 48 LYS H H 30 6.655 6.655 7.698 -1.043 18492
4339 1 13 . 1 1 49 49 THR N N 31 111.264 111.264 116.088 -4.824 18492
4340 1 13 . 1 1 49 49 THR HA H 31 4.377 4.377 4.303 0.074 18492
4341 1 13 . 1 1 49 49 THR C C 31 176.481 176.481 176.530 -0.049 18492
4342 1 13 . 1 1 49 49 THR CA C 31 60.302 60.302 62.503 -2.201 18492
4343 1 13 . 1 1 49 49 THR CB C 31 72.012 72.012 69.634 2.378 18492
4344 1 13 . 1 1 49 49 THR H H 31 8.900 8.900 8.186 0.714 18492
4345 1 13 . 1 1 50 50 VAL N N 32 121.079 121.079 124.134 -3.055 18492
4346 1 13 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.720 -0.200 18492
4347 1 13 . 1 1 50 50 VAL C C 32 177.818 177.818 177.632 0.186 18492
4348 1 13 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.927 2.138 18492
4349 1 13 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.499 0.331 18492
4350 1 13 . 1 1 50 50 VAL H H 32 8.697 8.697 8.689 0.008 18492
4351 1 13 . 1 1 51 51 SER N N 33 113.769 113.769 114.732 -0.963 18492
4352 1 13 . 1 1 51 51 SER HA H 33 3.995 3.995 4.106 -0.111 18492
4353 1 13 . 1 1 51 51 SER C C 33 177.346 177.346 177.209 0.137 18492
4354 1 13 . 1 1 51 51 SER CA C 33 61.640 61.640 61.909 -0.269 18492
4355 1 13 . 1 1 51 51 SER CB C 33 62.431 62.431 62.389 0.042 18492
4356 1 13 . 1 1 51 51 SER H H 33 8.334 8.334 8.281 0.053 18492
4357 1 13 . 1 1 52 52 GLN N N 34 120.084 120.084 119.655 0.429 18492
4358 1 13 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.274 0.029 18492
4359 1 13 . 1 1 52 52 GLN C C 34 180.343 180.343 178.387 1.956 18492
4360 1 13 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.820 0.462 18492
4361 1 13 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.218 1.344 18492
4362 1 13 . 1 1 52 52 GLN H H 34 7.781 7.781 8.021 -0.240 18492
4363 1 13 . 1 1 53 53 CYS N N 35 120.950 120.950 119.049 1.901 18492
4364 1 13 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.348 0.111 18492
4365 1 13 . 1 1 53 53 CYS C C 35 175.170 175.170 176.147 -0.977 18492
4366 1 13 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.822 4.760 18492
4367 1 13 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.721 0.393 18492
4368 1 13 . 1 1 53 53 CYS H H 35 8.748 8.748 7.823 0.925 18492
4369 1 13 . 1 1 54 54 LYS N N 36 120.488 120.488 120.563 -0.075 18492
4370 1 13 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.667 -1.442 18492
4371 1 13 . 1 1 54 54 LYS C C 36 177.848 177.848 178.690 -0.842 18492
4372 1 13 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.278 0.183 18492
4373 1 13 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.141 -0.207 18492
4374 1 13 . 1 1 54 54 LYS H H 36 7.790 7.790 7.549 0.241 18492
4375 1 13 . 1 1 55 55 ASN N N 37 116.085 116.085 118.057 -1.972 18492
4376 1 13 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.552 -0.128 18492
4377 1 13 . 1 1 55 55 ASN C C 37 177.149 177.149 177.962 -0.813 18492
4378 1 13 . 1 1 55 55 ASN CA C 37 56.086 56.086 56.201 -0.115 18492
4379 1 13 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.631 -0.162 18492
4380 1 13 . 1 1 55 55 ASN H H 37 7.988 7.988 8.031 -0.043 18492
4381 1 13 . 1 1 56 56 PHE N N 38 121.512 121.512 121.387 0.125 18492
4382 1 13 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.825 -0.245 18492
4383 1 13 . 1 1 56 56 PHE C C 38 175.968 175.968 177.654 -1.686 18492
4384 1 13 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.836 -0.179 18492
4385 1 13 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.605 0.256 18492
4386 1 13 . 1 1 56 56 PHE H H 38 8.117 8.117 7.820 0.297 18492
4387 1 13 . 1 1 57 57 TYR N N 39 114.465 114.465 119.322 -4.857 18492
4388 1 13 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.883 -0.216 18492
4389 1 13 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.896 0.952 18492
4390 1 13 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.235 0.485 18492
4391 1 13 . 1 1 57 57 TYR H H 39 7.723 7.723 7.570 0.153 18492
4392 1 13 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.148 -0.061 18492
4393 1 13 . 1 1 66 66 LEU C C 48 179.076 179.076 178.186 0.890 18492
4394 1 13 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.700 -0.436 18492
4395 1 13 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.522 -0.370 18492
4396 1 13 . 1 1 67 67 ASP N N 49 118.908 118.908 118.739 0.169 18492
4397 1 13 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.335 0.362 18492
4398 1 13 . 1 1 67 67 ASP C C 49 179.483 179.483 177.904 1.579 18492
4399 1 13 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.767 -0.281 18492
4400 1 13 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.061 -1.983 18492
4401 1 13 . 1 1 67 67 ASP H H 49 8.630 8.630 8.451 0.179 18492
4402 1 13 . 1 1 68 68 GLU N N 50 122.261 122.261 118.357 3.904 18492
4403 1 13 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.254 -0.132 18492
4404 1 13 . 1 1 68 68 GLU C C 50 179.120 179.120 179.168 -0.048 18492
4405 1 13 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.304 1.077 18492
4406 1 13 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.477 -0.294 18492
4407 1 13 . 1 1 68 68 GLU H H 50 7.906 7.906 7.713 0.193 18492
4408 1 13 . 1 1 69 69 ILE N N 51 120.582 120.582 122.247 -1.665 18492
4409 1 13 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.820 -0.026 18492
4410 1 13 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.243 -0.514 18492
4411 1 13 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.940 -0.477 18492
4412 1 13 . 1 1 69 69 ILE H H 51 7.296 7.296 7.765 -0.469 18492
4413 1 13 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.383 -0.295 18492
4414 1 13 . 1 1 70 70 LEU C C 52 180.091 180.091 179.180 0.911 18492
4415 1 13 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.589 1.262 18492
4416 1 13 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.934 0.231 18492
4417 1 13 . 1 1 71 71 GLN N N 53 121.069 121.069 119.688 1.381 18492
4418 1 13 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.993 0.187 18492
4419 1 13 . 1 1 71 71 GLN C C 53 178.551 178.551 178.200 0.351 18492
4420 1 13 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.886 -0.085 18492
4421 1 13 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.132 -0.381 18492
4422 1 13 . 1 1 71 71 GLN H H 53 8.075 8.075 7.892 0.183 18492
4423 1 13 . 1 1 72 72 GLN N N 54 119.983 119.983 118.485 1.498 18492
4424 1 13 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.996 0.024 18492
4425 1 13 . 1 1 72 72 GLN C C 54 179.376 179.376 178.183 1.193 18492
4426 1 13 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.712 0.120 18492
4427 1 13 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.100 -0.022 18492
4428 1 13 . 1 1 72 72 GLN H H 54 7.900 7.900 8.001 -0.101 18492
4429 1 13 . 1 1 73 73 HIS N N 55 120.410 120.410 119.721 0.689 18492
4430 1 13 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.163 0.151 18492
4431 1 13 . 1 1 73 73 HIS C C 55 176.222 176.222 177.566 -1.344 18492
4432 1 13 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.618 0.384 18492
4433 1 13 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.107 -1.944 18492
4434 1 13 . 1 1 73 73 HIS H H 55 8.637 8.637 8.078 0.559 18492
4435 1 13 . 1 1 74 74 LYS N N 56 120.014 120.014 119.477 0.537 18492
4436 1 13 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.866 -0.101 18492
4437 1 13 . 1 1 74 74 LYS C C 56 179.024 179.024 178.860 0.164 18492
4438 1 13 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.591 0.055 18492
4439 1 13 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.612 -0.417 18492
4440 1 13 . 1 1 74 74 LYS H H 56 7.944 7.944 7.910 0.034 18492
4441 1 13 . 1 1 75 75 LEU N N 57 119.352 119.352 117.243 2.109 18492
4442 1 13 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.116 -0.062 18492
4443 1 13 . 1 1 75 75 LEU C C 57 179.386 179.386 178.966 0.420 18492
4444 1 13 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.983 -0.337 18492
4445 1 13 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.294 0.485 18492
4446 1 13 . 1 1 75 75 LEU H H 57 7.870 7.870 8.067 -0.197 18492
4447 1 13 . 1 1 76 76 LYS N N 58 121.054 121.054 119.772 1.282 18492
4448 1 13 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.922 0.046 18492
4449 1 13 . 1 1 76 76 LYS C C 58 178.872 178.872 178.963 -0.091 18492
4450 1 13 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.484 -0.178 18492
4451 1 13 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.144 0.109 18492
4452 1 13 . 1 1 76 76 LYS H H 58 7.943 7.943 8.302 -0.359 18492
4453 1 13 . 1 1 77 77 MET N N 59 117.676 117.676 119.976 -2.300 18492
4454 1 13 . 1 1 77 77 MET HA H 59 4.164 4.164 4.404 -0.240 18492
4455 1 13 . 1 1 77 77 MET C C 59 179.131 179.131 178.109 1.022 18492
4456 1 13 . 1 1 77 77 MET CA C 59 57.271 57.271 58.338 -1.067 18492
4457 1 13 . 1 1 77 77 MET CB C 59 31.676 31.676 32.790 -1.114 18492
4458 1 13 . 1 1 77 77 MET H H 59 7.910 7.910 7.546 0.364 18492
4459 1 13 . 1 1 78 78 GLU N N 60 120.695 120.695 119.708 0.987 18492
4460 1 13 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.904 0.096 18492
4461 1 13 . 1 1 78 78 GLU C C 60 178.407 178.407 178.612 -0.205 18492
4462 1 13 . 1 1 78 78 GLU CA C 60 59.278 59.278 60.031 -0.753 18492
4463 1 13 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.638 -0.169 18492
4464 1 13 . 1 1 78 78 GLU H H 60 8.005 8.005 8.008 -0.003 18492
4465 1 13 . 1 1 79 79 LYS N N 61 119.944 119.944 117.779 2.165 18492
4466 1 13 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.022 0.052 18492
4467 1 13 . 1 1 79 79 LYS C C 61 179.350 179.350 179.095 0.255 18492
4468 1 13 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.283 -0.231 18492
4469 1 13 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.202 0.039 18492
4470 1 13 . 1 1 79 79 LYS H H 61 7.993 7.993 8.027 -0.034 18492
4471 1 13 . 1 1 80 80 GLU N N 62 119.421 119.421 118.948 0.473 18492
4472 1 13 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.124 -0.072 18492
4473 1 13 . 1 1 80 80 GLU C C 62 178.434 178.434 178.679 -0.245 18492
4474 1 13 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.574 0.004 18492
4475 1 13 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.154 0.357 18492
4476 1 13 . 1 1 80 80 GLU H H 62 8.011 8.011 7.772 0.239 18492
4477 1 13 . 1 1 81 81 ARG N N 63 120.087 120.087 120.792 -0.705 18492
4478 1 13 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.050 0.013 18492
4479 1 13 . 1 1 81 81 ARG C C 63 178.289 178.289 178.581 -0.292 18492
4480 1 13 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.388 -0.659 18492
4481 1 13 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.161 -0.177 18492
4482 1 13 . 1 1 81 81 ARG H H 63 8.038 8.038 7.881 0.157 18492
4483 1 13 . 1 1 82 82 ASN N N 64 117.835 117.835 117.940 -0.105 18492
4484 1 13 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.431 0.095 18492
4485 1 13 . 1 1 82 82 ASN C C 64 176.397 176.397 177.310 -0.913 18492
4486 1 13 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.416 -1.741 18492
4487 1 13 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.317 0.178 18492
4488 1 13 . 1 1 82 82 ASN H H 64 8.176 8.176 8.102 0.074 18492
4489 1 13 . 1 1 83 83 ALA N N 65 122.797 122.797 122.487 0.310 18492
4490 1 13 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.085 0.119 18492
4491 1 13 . 1 1 83 83 ALA C C 65 178.776 178.776 178.306 0.470 18492
4492 1 13 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.920 -1.162 18492
4493 1 13 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.595 0.174 18492
4494 1 13 . 1 1 83 83 ALA H H 65 7.883 7.883 7.799 0.084 18492
4495 1 13 . 1 1 84 84 ARG N N 66 118.042 118.042 115.923 2.119 18492
4496 1 13 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.156 0.057 18492
4497 1 13 . 1 1 84 84 ARG C C 66 177.040 177.040 178.867 -1.827 18492
4498 1 13 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.054 -0.984 18492
4499 1 13 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.030 0.355 18492
4500 1 13 . 1 1 84 84 ARG H H 66 7.855 7.855 7.853 0.002 18492
4501 1 13 . 1 1 85 85 ARG N N 67 120.431 120.431 120.503 -0.072 18492
4502 1 13 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.238 -0.024 18492
4503 1 13 . 1 1 85 85 ARG C C 67 176.547 176.547 177.967 -1.420 18492
4504 1 13 . 1 1 85 85 ARG CA C 67 56.886 56.886 58.518 -1.632 18492
4505 1 13 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.698 -0.373 18492
4506 1 13 . 1 1 85 85 ARG H H 67 7.873 7.873 7.770 0.103 18492
4507 1 13 . 1 1 86 86 LYS N N 68 121.690 121.690 117.303 4.387 18492
4508 1 13 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.381 -0.116 18492
4509 1 13 . 1 1 86 86 LYS C C 68 176.561 176.561 175.576 0.985 18492
4510 1 13 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.460 1.466 18492
4511 1 13 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.295 0.591 18492
4512 1 13 . 1 1 86 86 LYS H H 68 8.040 8.040 7.724 0.316 18492
4513 1 13 . 1 1 87 87 LYS N N 69 122.486 122.486 122.451 0.035 18492
4514 1 13 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.101 0.168 18492
4515 1 13 . 1 1 87 87 LYS C C 69 176.383 176.383 176.186 0.197 18492
4516 1 13 . 1 1 87 87 LYS CA C 69 56.500 56.500 57.478 -0.978 18492
4517 1 13 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.567 1.533 18492
4518 1 13 . 1 1 87 87 LYS H H 69 8.116 8.116 7.444 0.672 18492
4519 1 13 . 1 1 88 88 LYS N N 70 123.589 123.589 126.878 -3.289 18492
4520 1 13 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.405 -0.158 18492
4521 1 13 . 1 1 88 88 LYS C C 70 175.618 175.618 174.618 1.000 18492
4522 1 13 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.777 0.916 18492
4523 1 13 . 1 1 88 88 LYS CB C 70 33.089 33.089 34.399 -1.310 18492
4524 1 13 . 1 1 88 88 LYS H H 70 8.247 8.247 8.282 -0.035 18492
4525 1 14 . 1 1 20 20 THR N N 2 114.872 114.872 120.037 -5.165 18492
4526 1 14 . 1 1 20 20 THR HA H 2 4.639 4.639 4.511 0.128 18492
4527 1 14 . 1 1 20 20 THR C C 2 175.858 175.858 175.853 0.005 18492
4528 1 14 . 1 1 20 20 THR CA C 2 59.992 59.992 61.876 -1.884 18492
4529 1 14 . 1 1 20 20 THR CB C 2 71.359 71.359 70.297 1.062 18492
4530 1 14 . 1 1 20 20 THR H H 2 9.423 9.423 8.400 1.023 18492
4531 1 14 . 1 1 21 21 GLU N N 3 121.694 121.694 123.491 -1.797 18492
4532 1 14 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.968 0.051 18492
4533 1 14 . 1 1 21 21 GLU C C 3 179.808 179.808 178.174 1.634 18492
4534 1 14 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.911 0.331 18492
4535 1 14 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.223 0.110 18492
4536 1 14 . 1 1 21 21 GLU H H 3 9.120 9.120 9.043 0.077 18492
4537 1 14 . 1 1 22 22 GLU N N 4 120.617 120.617 118.653 1.964 18492
4538 1 14 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.110 -0.008 18492
4539 1 14 . 1 1 22 22 GLU C C 4 179.604 179.604 179.065 0.539 18492
4540 1 14 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.229 0.674 18492
4541 1 14 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.755 0.414 18492
4542 1 14 . 1 1 22 22 GLU H H 4 8.735 8.735 8.852 -0.117 18492
4543 1 14 . 1 1 23 23 GLU N N 5 120.811 120.811 118.291 2.520 18492
4544 1 14 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.260 -0.186 18492
4545 1 14 . 1 1 23 23 GLU C C 5 179.511 179.511 179.024 0.487 18492
4546 1 14 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.505 0.962 18492
4547 1 14 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.912 2.501 18492
4548 1 14 . 1 1 23 23 GLU H H 5 7.887 7.887 7.807 0.080 18492
4549 1 14 . 1 1 24 24 MET N N 6 117.260 117.260 119.276 -2.016 18492
4550 1 14 . 1 1 24 24 MET HA H 6 3.665 3.665 4.404 -0.739 18492
4551 1 14 . 1 1 24 24 MET C C 6 178.480 178.480 178.984 -0.504 18492
4552 1 14 . 1 1 24 24 MET CA C 6 60.134 60.134 57.473 2.661 18492
4553 1 14 . 1 1 24 24 MET CB C 6 33.059 33.059 31.448 1.611 18492
4554 1 14 . 1 1 24 24 MET H H 6 8.607 8.607 8.723 -0.116 18492
4555 1 14 . 1 1 25 25 GLY N N 7 106.564 106.564 107.098 -0.534 18492
4556 1 14 . 1 1 25 25 GLY C C 7 177.376 177.376 176.087 1.289 18492
4557 1 14 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.346 -0.014 18492
4558 1 14 . 1 1 25 25 GLY H H 7 8.494 8.494 8.320 0.174 18492
4559 1 14 . 1 1 26 26 THR N N 8 121.127 121.127 118.385 2.742 18492
4560 1 14 . 1 1 26 26 THR HA H 8 3.956 3.956 4.071 -0.115 18492
4561 1 14 . 1 1 26 26 THR C C 8 175.895 175.895 176.160 -0.265 18492
4562 1 14 . 1 1 26 26 THR CA C 8 66.737 66.737 66.065 0.672 18492
4563 1 14 . 1 1 26 26 THR CB C 8 67.623 67.623 68.384 -0.761 18492
4564 1 14 . 1 1 26 26 THR H H 8 8.242 8.242 7.781 0.461 18492
4565 1 14 . 1 1 27 27 ALA N N 9 125.226 125.226 125.431 -0.205 18492
4566 1 14 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.083 -0.204 18492
4567 1 14 . 1 1 27 27 ALA C C 9 179.361 179.361 179.034 0.327 18492
4568 1 14 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.297 0.447 18492
4569 1 14 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.066 -0.377 18492
4570 1 14 . 1 1 27 27 ALA H H 9 8.605 8.605 8.187 0.418 18492
4571 1 14 . 1 1 28 28 LYS N N 10 116.449 116.449 119.235 -2.786 18492
4572 1 14 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.040 -0.145 18492
4573 1 14 . 1 1 28 28 LYS C C 10 179.264 179.264 178.803 0.461 18492
4574 1 14 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.121 2.133 18492
4575 1 14 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.399 -0.207 18492
4576 1 14 . 1 1 28 28 LYS H H 10 8.149 8.149 8.052 0.097 18492
4577 1 14 . 1 1 29 29 LYS N N 11 121.248 121.248 118.957 2.291 18492
4578 1 14 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.096 -0.069 18492
4579 1 14 . 1 1 29 29 LYS C C 11 179.168 179.168 179.001 0.167 18492
4580 1 14 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.682 0.929 18492
4581 1 14 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.906 0.203 18492
4582 1 14 . 1 1 29 29 LYS H H 11 7.747 7.747 8.047 -0.300 18492
4583 1 14 . 1 1 30 30 GLY N N 12 108.727 108.727 107.003 1.724 18492
4584 1 14 . 1 1 30 30 GLY C C 12 174.800 174.800 176.461 -1.661 18492
4585 1 14 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.214 1.805 18492
4586 1 14 . 1 1 30 30 GLY H H 12 8.838 8.838 7.900 0.938 18492
4587 1 14 . 1 1 31 31 LEU N N 13 124.189 124.189 121.913 2.276 18492
4588 1 14 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.592 -0.503 18492
4589 1 14 . 1 1 31 31 LEU C C 13 179.023 179.023 179.234 -0.211 18492
4590 1 14 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.510 0.969 18492
4591 1 14 . 1 1 31 31 LEU CB C 13 42.555 42.555 42.055 0.500 18492
4592 1 14 . 1 1 31 31 LEU H H 13 8.520 8.520 8.063 0.457 18492
4593 1 14 . 1 1 32 32 LEU N N 14 119.512 119.512 119.432 0.080 18492
4594 1 14 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.168 -0.210 18492
4595 1 14 . 1 1 32 32 LEU C C 14 178.844 178.844 177.161 1.683 18492
4596 1 14 . 1 1 32 32 LEU CA C 14 57.935 57.935 56.757 1.178 18492
4597 1 14 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.337 -0.672 18492
4598 1 14 . 1 1 32 32 LEU H H 14 7.322 7.322 8.005 -0.683 18492
4599 1 14 . 1 1 33 33 GLU N N 15 117.254 117.254 117.698 -0.444 18492
4600 1 14 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.064 -0.062 18492
4601 1 14 . 1 1 33 33 GLU C C 15 178.636 178.636 178.221 0.415 18492
4602 1 14 . 1 1 33 33 GLU CA C 15 58.677 58.677 57.684 0.993 18492
4603 1 14 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.336 0.087 18492
4604 1 14 . 1 1 33 33 GLU H H 15 7.940 7.940 7.719 0.221 18492
4605 1 14 . 1 1 34 34 HIS N N 16 113.397 113.397 117.284 -3.887 18492
4606 1 14 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.421 0.345 18492
4607 1 14 . 1 1 34 34 HIS C C 16 176.465 176.465 176.284 0.181 18492
4608 1 14 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.614 -2.087 18492
4609 1 14 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.728 1.666 18492
4610 1 14 . 1 1 34 34 HIS H H 16 8.732 8.732 7.939 0.793 18492
4611 1 14 . 1 1 35 35 GLY N N 17 112.392 112.392 108.128 4.264 18492
4612 1 14 . 1 1 35 35 GLY C C 17 172.914 172.914 174.314 -1.400 18492
4613 1 14 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.924 0.807 18492
4614 1 14 . 1 1 35 35 GLY H H 17 7.475 7.475 7.869 -0.394 18492
4615 1 14 . 1 1 36 36 ARG N N 18 121.605 121.605 123.440 -1.835 18492
4616 1 14 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.706 -1.021 18492
4617 1 14 . 1 1 36 36 ARG C C 18 174.673 174.673 175.147 -0.474 18492
4618 1 14 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.654 -0.978 18492
4619 1 14 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.807 -2.037 18492
4620 1 14 . 1 1 36 36 ARG H H 18 7.805 7.805 8.389 -0.584 18492
4621 1 14 . 1 1 37 37 ASN N N 19 118.725 118.725 120.145 -1.420 18492
4622 1 14 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.330 0.130 18492
4623 1 14 . 1 1 37 37 ASN C C 19 175.272 175.272 175.897 -0.625 18492
4624 1 14 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.420 -2.066 18492
4625 1 14 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.364 -0.190 18492
4626 1 14 . 1 1 37 37 ASN H H 19 6.939 6.939 7.494 -0.555 18492
4627 1 14 . 1 1 38 38 TRP N N 20 123.054 123.054 126.477 -3.423 18492
4628 1 14 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.377 0.035 18492
4629 1 14 . 1 1 38 38 TRP C C 20 177.950 177.950 178.513 -0.563 18492
4630 1 14 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.295 -0.493 18492
4631 1 14 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.037 1.563 18492
4632 1 14 . 1 1 38 38 TRP H H 20 7.064 7.064 7.941 -0.877 18492
4633 1 14 . 1 1 39 39 SER N N 21 112.959 112.959 114.786 -1.827 18492
4634 1 14 . 1 1 39 39 SER HA H 21 4.171 4.171 4.195 -0.024 18492
4635 1 14 . 1 1 39 39 SER C C 21 176.653 176.653 176.426 0.227 18492
4636 1 14 . 1 1 39 39 SER CA C 21 61.632 61.632 61.803 -0.171 18492
4637 1 14 . 1 1 39 39 SER CB C 21 62.389 62.389 62.779 -0.390 18492
4638 1 14 . 1 1 39 39 SER H H 21 8.526 8.526 8.213 0.313 18492
4639 1 14 . 1 1 40 40 ALA N N 22 124.572 124.572 123.822 0.750 18492
4640 1 14 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.088 -0.279 18492
4641 1 14 . 1 1 40 40 ALA C C 22 180.307 180.307 179.806 0.501 18492
4642 1 14 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.861 -0.525 18492
4643 1 14 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.304 -1.484 18492
4644 1 14 . 1 1 40 40 ALA H H 22 7.130 7.130 7.793 -0.663 18492
4645 1 14 . 1 1 41 41 ILE N N 23 118.436 118.436 118.159 0.277 18492
4646 1 14 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.816 -0.231 18492
4647 1 14 . 1 1 41 41 ILE C C 23 177.684 177.684 177.776 -0.092 18492
4648 1 14 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.852 4.019 18492
4649 1 14 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.566 1.887 18492
4650 1 14 . 1 1 41 41 ILE H H 23 7.750 7.750 7.994 -0.244 18492
4651 1 14 . 1 1 42 42 ALA N N 24 122.987 122.987 122.743 0.244 18492
4652 1 14 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.045 -0.125 18492
4653 1 14 . 1 1 42 42 ALA C C 24 180.335 180.335 179.243 1.092 18492
4654 1 14 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.541 0.561 18492
4655 1 14 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.382 -0.048 18492
4656 1 14 . 1 1 42 42 ALA H H 24 8.730 8.730 8.403 0.327 18492
4657 1 14 . 1 1 43 43 ARG N N 25 117.188 117.188 118.939 -1.751 18492
4658 1 14 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.287 -0.265 18492
4659 1 14 . 1 1 43 43 ARG C C 25 178.559 178.559 178.361 0.198 18492
4660 1 14 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.869 0.197 18492
4661 1 14 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.332 -0.378 18492
4662 1 14 . 1 1 43 43 ARG H H 25 7.511 7.511 7.827 -0.316 18492
4663 1 14 . 1 1 44 44 MET N N 26 117.388 117.388 119.166 -1.778 18492
4664 1 14 . 1 1 44 44 MET HA H 26 4.029 4.029 4.231 -0.202 18492
4665 1 14 . 1 1 44 44 MET C C 26 177.655 177.655 177.695 -0.040 18492
4666 1 14 . 1 1 44 44 MET CA C 26 58.926 58.926 58.672 0.254 18492
4667 1 14 . 1 1 44 44 MET CB C 26 34.267 34.267 33.056 1.211 18492
4668 1 14 . 1 1 44 44 MET H H 26 7.399 7.399 7.590 -0.191 18492
4669 1 14 . 1 1 45 45 VAL N N 27 119.232 119.232 113.674 5.558 18492
4670 1 14 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.222 -0.641 18492
4671 1 14 . 1 1 45 45 VAL C C 27 178.991 178.991 177.484 1.507 18492
4672 1 14 . 1 1 45 45 VAL CA C 27 65.759 65.759 63.958 1.801 18492
4673 1 14 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.436 -0.031 18492
4674 1 14 . 1 1 45 45 VAL H H 27 8.526 8.526 8.277 0.249 18492
4675 1 14 . 1 1 46 46 GLY N N 28 108.996 108.996 107.786 1.210 18492
4676 1 14 . 1 1 46 46 GLY C C 28 175.739 175.739 175.170 0.569 18492
4677 1 14 . 1 1 46 46 GLY CA C 28 47.250 47.250 44.782 2.468 18492
4678 1 14 . 1 1 46 46 GLY H H 28 8.663 8.663 7.731 0.932 18492
4679 1 14 . 1 1 47 47 SER N N 29 112.827 112.827 114.255 -1.428 18492
4680 1 14 . 1 1 47 47 SER HA H 29 4.291 4.291 4.356 -0.065 18492
4681 1 14 . 1 1 47 47 SER C C 29 173.701 173.701 173.691 0.010 18492
4682 1 14 . 1 1 47 47 SER CA C 29 57.352 57.352 59.658 -2.306 18492
4683 1 14 . 1 1 47 47 SER CB C 29 62.198 62.198 62.001 0.198 18492
4684 1 14 . 1 1 47 47 SER H H 29 7.948 7.948 7.943 0.005 18492
4685 1 14 . 1 1 48 48 LYS N N 30 119.562 119.562 119.158 0.404 18492
4686 1 14 . 1 1 48 48 LYS H H 30 6.655 6.655 8.011 -1.356 18492
4687 1 14 . 1 1 49 49 THR N N 31 111.264 111.264 115.433 -4.169 18492
4688 1 14 . 1 1 49 49 THR HA H 31 4.377 4.377 4.407 -0.030 18492
4689 1 14 . 1 1 49 49 THR C C 31 176.481 176.481 176.283 0.198 18492
4690 1 14 . 1 1 49 49 THR CA C 31 60.302 60.302 62.718 -2.416 18492
4691 1 14 . 1 1 49 49 THR CB C 31 72.012 72.012 69.609 2.403 18492
4692 1 14 . 1 1 49 49 THR H H 31 8.900 8.900 8.338 0.562 18492
4693 1 14 . 1 1 50 50 VAL N N 32 121.079 121.079 123.531 -2.452 18492
4694 1 14 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.763 -0.243 18492
4695 1 14 . 1 1 50 50 VAL C C 32 177.818 177.818 177.402 0.416 18492
4696 1 14 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.732 2.333 18492
4697 1 14 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.907 -0.077 18492
4698 1 14 . 1 1 50 50 VAL H H 32 8.697 8.697 8.835 -0.138 18492
4699 1 14 . 1 1 51 51 SER N N 33 113.769 113.769 114.484 -0.715 18492
4700 1 14 . 1 1 51 51 SER HA H 33 3.995 3.995 4.111 -0.116 18492
4701 1 14 . 1 1 51 51 SER C C 33 177.346 177.346 176.650 0.696 18492
4702 1 14 . 1 1 51 51 SER CA C 33 61.640 61.640 61.322 0.318 18492
4703 1 14 . 1 1 51 51 SER CB C 33 62.431 62.431 62.597 -0.166 18492
4704 1 14 . 1 1 51 51 SER H H 33 8.334 8.334 8.068 0.266 18492
4705 1 14 . 1 1 52 52 GLN N N 34 120.084 120.084 121.376 -1.292 18492
4706 1 14 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.202 0.101 18492
4707 1 14 . 1 1 52 52 GLN C C 34 180.343 180.343 178.250 2.093 18492
4708 1 14 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.942 0.340 18492
4709 1 14 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.273 1.290 18492
4710 1 14 . 1 1 52 52 GLN H H 34 7.781 7.781 8.043 -0.262 18492
4711 1 14 . 1 1 53 53 CYS N N 35 120.950 120.950 117.328 3.622 18492
4712 1 14 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.515 -0.056 18492
4713 1 14 . 1 1 53 53 CYS C C 35 175.170 175.170 176.596 -1.426 18492
4714 1 14 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.039 5.543 18492
4715 1 14 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.262 -0.148 18492
4716 1 14 . 1 1 53 53 CYS H H 35 8.748 8.748 7.818 0.930 18492
4717 1 14 . 1 1 54 54 LYS N N 36 120.488 120.488 120.926 -0.438 18492
4718 1 14 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.066 -0.841 18492
4719 1 14 . 1 1 54 54 LYS C C 36 177.848 177.848 178.251 -0.403 18492
4720 1 14 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.310 0.151 18492
4721 1 14 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.227 -0.294 18492
4722 1 14 . 1 1 54 54 LYS H H 36 7.790 7.790 7.753 0.037 18492
4723 1 14 . 1 1 55 55 ASN N N 37 116.085 116.085 117.448 -1.363 18492
4724 1 14 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.602 -0.178 18492
4725 1 14 . 1 1 55 55 ASN C C 37 177.149 177.149 177.278 -0.129 18492
4726 1 14 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.896 0.190 18492
4727 1 14 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.722 -0.253 18492
4728 1 14 . 1 1 55 55 ASN H H 37 7.988 7.988 8.086 -0.098 18492
4729 1 14 . 1 1 56 56 PHE N N 38 121.512 121.512 121.810 -0.298 18492
4730 1 14 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.115 -0.535 18492
4731 1 14 . 1 1 56 56 PHE C C 38 175.968 175.968 176.990 -1.022 18492
4732 1 14 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.491 0.166 18492
4733 1 14 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.759 0.102 18492
4734 1 14 . 1 1 56 56 PHE H H 38 8.117 8.117 7.970 0.147 18492
4735 1 14 . 1 1 57 57 TYR N N 39 114.465 114.465 119.516 -5.051 18492
4736 1 14 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.620 0.047 18492
4737 1 14 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.467 0.381 18492
4738 1 14 . 1 1 57 57 TYR CB C 39 38.720 38.720 37.761 0.959 18492
4739 1 14 . 1 1 57 57 TYR H H 39 7.723 7.723 7.585 0.138 18492
4740 1 14 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.000 0.087 18492
4741 1 14 . 1 1 66 66 LEU C C 48 179.076 179.076 177.659 1.417 18492
4742 1 14 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.982 -0.718 18492
4743 1 14 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.409 -0.257 18492
4744 1 14 . 1 1 67 67 ASP N N 49 118.908 118.908 118.701 0.207 18492
4745 1 14 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.311 0.386 18492
4746 1 14 . 1 1 67 67 ASP C C 49 179.483 179.483 178.181 1.302 18492
4747 1 14 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.620 -0.133 18492
4748 1 14 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.864 -1.786 18492
4749 1 14 . 1 1 67 67 ASP H H 49 8.630 8.630 8.723 -0.093 18492
4750 1 14 . 1 1 68 68 GLU N N 50 122.261 122.261 119.396 2.865 18492
4751 1 14 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.188 -0.066 18492
4752 1 14 . 1 1 68 68 GLU C C 50 179.120 179.120 178.884 0.236 18492
4753 1 14 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.624 0.757 18492
4754 1 14 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.844 -0.661 18492
4755 1 14 . 1 1 68 68 GLU H H 50 7.906 7.906 7.606 0.300 18492
4756 1 14 . 1 1 69 69 ILE N N 51 120.582 120.582 120.996 -0.414 18492
4757 1 14 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.707 0.087 18492
4758 1 14 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.468 -0.739 18492
4759 1 14 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.842 -0.379 18492
4760 1 14 . 1 1 69 69 ILE H H 51 7.296 7.296 7.987 -0.691 18492
4761 1 14 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.315 -0.227 18492
4762 1 14 . 1 1 70 70 LEU C C 52 180.091 180.091 179.395 0.696 18492
4763 1 14 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.841 1.010 18492
4764 1 14 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.739 0.426 18492
4765 1 14 . 1 1 71 71 GLN N N 53 121.069 121.069 119.470 1.599 18492
4766 1 14 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.015 0.165 18492
4767 1 14 . 1 1 71 71 GLN C C 53 178.551 178.551 178.251 0.300 18492
4768 1 14 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.779 0.022 18492
4769 1 14 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.180 -0.429 18492
4770 1 14 . 1 1 71 71 GLN H H 53 8.075 8.075 7.650 0.425 18492
4771 1 14 . 1 1 72 72 GLN N N 54 119.983 119.983 118.238 1.745 18492
4772 1 14 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.009 0.011 18492
4773 1 14 . 1 1 72 72 GLN C C 54 179.376 179.376 178.409 0.967 18492
4774 1 14 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.554 0.278 18492
4775 1 14 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.197 -0.119 18492
4776 1 14 . 1 1 72 72 GLN H H 54 7.900 7.900 8.416 -0.516 18492
4777 1 14 . 1 1 73 73 HIS N N 55 120.410 120.410 120.007 0.403 18492
4778 1 14 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.159 0.155 18492
4779 1 14 . 1 1 73 73 HIS C C 55 176.222 176.222 177.351 -1.129 18492
4780 1 14 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.292 0.710 18492
4781 1 14 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.122 -1.960 18492
4782 1 14 . 1 1 73 73 HIS H H 55 8.637 8.637 8.063 0.574 18492
4783 1 14 . 1 1 74 74 LYS N N 56 120.014 120.014 119.636 0.378 18492
4784 1 14 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.846 -0.081 18492
4785 1 14 . 1 1 74 74 LYS C C 56 179.024 179.024 178.706 0.318 18492
4786 1 14 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.567 0.079 18492
4787 1 14 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.560 -0.366 18492
4788 1 14 . 1 1 74 74 LYS H H 56 7.944 7.944 7.695 0.249 18492
4789 1 14 . 1 1 75 75 LEU N N 57 119.352 119.352 116.921 2.431 18492
4790 1 14 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.085 -0.031 18492
4791 1 14 . 1 1 75 75 LEU C C 57 179.386 179.386 179.217 0.169 18492
4792 1 14 . 1 1 75 75 LEU CA C 57 57.646 57.646 58.184 -0.538 18492
4793 1 14 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.417 0.362 18492
4794 1 14 . 1 1 75 75 LEU H H 57 7.870 7.870 8.114 -0.244 18492
4795 1 14 . 1 1 76 76 LYS N N 58 121.054 121.054 119.020 2.034 18492
4796 1 14 . 1 1 76 76 LYS HA H 58 3.968 3.968 4.022 -0.054 18492
4797 1 14 . 1 1 76 76 LYS C C 58 178.872 178.872 178.713 0.159 18492
4798 1 14 . 1 1 76 76 LYS CA C 58 59.306 59.306 58.831 0.475 18492
4799 1 14 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.162 0.091 18492
4800 1 14 . 1 1 76 76 LYS H H 58 7.943 7.943 7.783 0.160 18492
4801 1 14 . 1 1 77 77 MET N N 59 117.676 117.676 120.665 -2.989 18492
4802 1 14 . 1 1 77 77 MET HA H 59 4.164 4.164 4.114 0.050 18492
4803 1 14 . 1 1 77 77 MET C C 59 179.131 179.131 177.875 1.256 18492
4804 1 14 . 1 1 77 77 MET CA C 59 57.271 57.271 57.893 -0.622 18492
4805 1 14 . 1 1 77 77 MET CB C 59 31.676 31.676 32.176 -0.500 18492
4806 1 14 . 1 1 77 77 MET H H 59 7.910 7.910 7.556 0.354 18492
4807 1 14 . 1 1 78 78 GLU N N 60 120.695 120.695 117.284 3.411 18492
4808 1 14 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.981 0.019 18492
4809 1 14 . 1 1 78 78 GLU C C 60 178.407 178.407 179.318 -0.911 18492
4810 1 14 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.003 0.275 18492
4811 1 14 . 1 1 78 78 GLU CB C 60 29.469 29.469 28.752 0.717 18492
4812 1 14 . 1 1 78 78 GLU H H 60 8.005 8.005 8.320 -0.315 18492
4813 1 14 . 1 1 79 79 LYS N N 61 119.944 119.944 120.672 -0.728 18492
4814 1 14 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.999 0.075 18492
4815 1 14 . 1 1 79 79 LYS C C 61 179.350 179.350 178.789 0.561 18492
4816 1 14 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.531 -0.479 18492
4817 1 14 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.548 -0.307 18492
4818 1 14 . 1 1 79 79 LYS H H 61 7.993 7.993 7.602 0.391 18492
4819 1 14 . 1 1 80 80 GLU N N 62 119.421 119.421 117.497 1.924 18492
4820 1 14 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.072 -0.020 18492
4821 1 14 . 1 1 80 80 GLU C C 62 178.434 178.434 179.036 -0.602 18492
4822 1 14 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.896 -0.318 18492
4823 1 14 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.264 0.247 18492
4824 1 14 . 1 1 80 80 GLU H H 62 8.011 8.011 7.918 0.093 18492
4825 1 14 . 1 1 81 81 ARG N N 63 120.087 120.087 119.930 0.157 18492
4826 1 14 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.067 -0.004 18492
4827 1 14 . 1 1 81 81 ARG C C 63 178.289 178.289 178.578 -0.289 18492
4828 1 14 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.239 -0.509 18492
4829 1 14 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.357 -0.373 18492
4830 1 14 . 1 1 81 81 ARG H H 63 8.038 8.038 8.325 -0.287 18492
4831 1 14 . 1 1 82 82 ASN N N 64 117.835 117.835 118.036 -0.201 18492
4832 1 14 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.563 -0.037 18492
4833 1 14 . 1 1 82 82 ASN C C 64 176.397 176.397 176.408 -0.011 18492
4834 1 14 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.314 -0.639 18492
4835 1 14 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.320 0.175 18492
4836 1 14 . 1 1 82 82 ASN H H 64 8.176 8.176 8.004 0.172 18492
4837 1 14 . 1 1 83 83 ALA N N 65 122.797 122.797 121.493 1.304 18492
4838 1 14 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.226 -0.022 18492
4839 1 14 . 1 1 83 83 ALA C C 65 178.776 178.776 179.070 -0.294 18492
4840 1 14 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.091 -0.333 18492
4841 1 14 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.877 -0.108 18492
4842 1 14 . 1 1 83 83 ALA H H 65 7.883 7.883 7.584 0.299 18492
4843 1 14 . 1 1 84 84 ARG N N 66 118.042 118.042 116.088 1.954 18492
4844 1 14 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.221 -0.008 18492
4845 1 14 . 1 1 84 84 ARG C C 66 177.040 177.040 178.023 -0.983 18492
4846 1 14 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.115 -0.045 18492
4847 1 14 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.736 -0.351 18492
4848 1 14 . 1 1 84 84 ARG H H 66 7.855 7.855 7.668 0.187 18492
4849 1 14 . 1 1 85 85 ARG N N 67 120.431 120.431 118.836 1.595 18492
4850 1 14 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.313 -0.099 18492
4851 1 14 . 1 1 85 85 ARG C C 67 176.547 176.547 176.062 0.485 18492
4852 1 14 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.063 1.823 18492
4853 1 14 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.746 0.579 18492
4854 1 14 . 1 1 85 85 ARG H H 67 7.873 7.873 7.665 0.208 18492
4855 1 14 . 1 1 86 86 LYS N N 68 121.690 121.690 120.950 0.740 18492
4856 1 14 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.185 0.080 18492
4857 1 14 . 1 1 86 86 LYS C C 68 176.561 176.561 176.323 0.238 18492
4858 1 14 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.798 0.128 18492
4859 1 14 . 1 1 86 86 LYS CB C 68 32.886 32.886 30.842 2.044 18492
4860 1 14 . 1 1 86 86 LYS H H 68 8.040 8.040 7.523 0.517 18492
4861 1 14 . 1 1 87 87 LYS N N 69 122.486 122.486 123.550 -1.064 18492
4862 1 14 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.316 -0.047 18492
4863 1 14 . 1 1 87 87 LYS C C 69 176.383 176.383 175.694 0.689 18492
4864 1 14 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.537 -0.037 18492
4865 1 14 . 1 1 87 87 LYS CB C 69 33.100 33.100 33.525 -0.425 18492
4866 1 14 . 1 1 87 87 LYS H H 69 8.116 8.116 8.132 -0.016 18492
4867 1 14 . 1 1 88 88 LYS N N 70 123.589 123.589 122.389 1.200 18492
4868 1 14 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.155 0.092 18492
4869 1 14 . 1 1 88 88 LYS C C 70 175.618 175.618 176.723 -1.105 18492
4870 1 14 . 1 1 88 88 LYS CA C 70 56.693 56.693 57.008 -0.315 18492
4871 1 14 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.161 0.928 18492
4872 1 14 . 1 1 88 88 LYS H H 70 8.247 8.247 8.261 -0.014 18492
4873 1 15 . 1 1 20 20 THR N N 2 114.872 114.872 119.814 -4.942 18492
4874 1 15 . 1 1 20 20 THR HA H 2 4.639 4.639 4.519 0.120 18492
4875 1 15 . 1 1 20 20 THR C C 2 175.858 175.858 175.403 0.455 18492
4876 1 15 . 1 1 20 20 THR CA C 2 59.992 59.992 62.203 -2.211 18492
4877 1 15 . 1 1 20 20 THR CB C 2 71.359 71.359 70.716 0.643 18492
4878 1 15 . 1 1 20 20 THR H H 2 9.423 9.423 8.290 1.133 18492
4879 1 15 . 1 1 21 21 GLU N N 3 121.694 121.694 123.861 -2.167 18492
4880 1 15 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.004 0.015 18492
4881 1 15 . 1 1 21 21 GLU C C 3 179.808 179.808 178.872 0.936 18492
4882 1 15 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.791 0.451 18492
4883 1 15 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.556 -0.223 18492
4884 1 15 . 1 1 21 21 GLU H H 3 9.120 9.120 8.981 0.139 18492
4885 1 15 . 1 1 22 22 GLU N N 4 120.617 120.617 118.777 1.840 18492
4886 1 15 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.107 -0.005 18492
4887 1 15 . 1 1 22 22 GLU C C 4 179.604 179.604 178.743 0.861 18492
4888 1 15 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.495 0.408 18492
4889 1 15 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.210 -0.041 18492
4890 1 15 . 1 1 22 22 GLU H H 4 8.735 8.735 8.640 0.095 18492
4891 1 15 . 1 1 23 23 GLU N N 5 120.811 120.811 119.086 1.725 18492
4892 1 15 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.103 -0.029 18492
4893 1 15 . 1 1 23 23 GLU C C 5 179.511 179.511 178.984 0.527 18492
4894 1 15 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.589 0.878 18492
4895 1 15 . 1 1 23 23 GLU CB C 5 31.413 31.413 28.880 2.533 18492
4896 1 15 . 1 1 23 23 GLU H H 5 7.887 7.887 7.969 -0.082 18492
4897 1 15 . 1 1 24 24 MET N N 6 117.260 117.260 120.255 -2.995 18492
4898 1 15 . 1 1 24 24 MET HA H 6 3.665 3.665 4.451 -0.786 18492
4899 1 15 . 1 1 24 24 MET C C 6 178.480 178.480 178.484 -0.004 18492
4900 1 15 . 1 1 24 24 MET CA C 6 60.134 60.134 58.794 1.340 18492
4901 1 15 . 1 1 24 24 MET CB C 6 33.059 33.059 32.832 0.227 18492
4902 1 15 . 1 1 24 24 MET H H 6 8.607 8.607 8.640 -0.033 18492
4903 1 15 . 1 1 25 25 GLY N N 7 106.564 106.564 105.894 0.670 18492
4904 1 15 . 1 1 25 25 GLY C C 7 177.376 177.376 175.831 1.545 18492
4905 1 15 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.270 0.062 18492
4906 1 15 . 1 1 25 25 GLY H H 7 8.494 8.494 8.120 0.374 18492
4907 1 15 . 1 1 26 26 THR N N 8 121.127 121.127 118.947 2.180 18492
4908 1 15 . 1 1 26 26 THR HA H 8 3.956 3.956 4.179 -0.223 18492
4909 1 15 . 1 1 26 26 THR C C 8 175.895 175.895 176.106 -0.211 18492
4910 1 15 . 1 1 26 26 THR CA C 8 66.737 66.737 66.387 0.350 18492
4911 1 15 . 1 1 26 26 THR CB C 8 67.623 67.623 68.530 -0.907 18492
4912 1 15 . 1 1 26 26 THR H H 8 8.242 8.242 7.899 0.343 18492
4913 1 15 . 1 1 27 27 ALA N N 9 125.226 125.226 125.548 -0.322 18492
4914 1 15 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.136 -0.257 18492
4915 1 15 . 1 1 27 27 ALA C C 9 179.361 179.361 178.945 0.416 18492
4916 1 15 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.424 0.320 18492
4917 1 15 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.221 -0.532 18492
4918 1 15 . 1 1 27 27 ALA H H 9 8.605 8.605 8.107 0.498 18492
4919 1 15 . 1 1 28 28 LYS N N 10 116.449 116.449 118.981 -2.532 18492
4920 1 15 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.101 -0.207 18492
4921 1 15 . 1 1 28 28 LYS C C 10 179.264 179.264 178.809 0.455 18492
4922 1 15 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.278 1.976 18492
4923 1 15 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.406 -0.214 18492
4924 1 15 . 1 1 28 28 LYS H H 10 8.149 8.149 8.127 0.022 18492
4925 1 15 . 1 1 29 29 LYS N N 11 121.248 121.248 118.901 2.347 18492
4926 1 15 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.119 -0.092 18492
4927 1 15 . 1 1 29 29 LYS C C 11 179.168 179.168 179.046 0.122 18492
4928 1 15 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.644 0.967 18492
4929 1 15 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.985 0.124 18492
4930 1 15 . 1 1 29 29 LYS H H 11 7.747 7.747 7.712 0.035 18492
4931 1 15 . 1 1 30 30 GLY N N 12 108.727 108.727 106.752 1.975 18492
4932 1 15 . 1 1 30 30 GLY C C 12 174.800 174.800 176.445 -1.645 18492
4933 1 15 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.074 1.945 18492
4934 1 15 . 1 1 30 30 GLY H H 12 8.838 8.838 7.949 0.889 18492
4935 1 15 . 1 1 31 31 LEU N N 13 124.189 124.189 122.214 1.975 18492
4936 1 15 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.333 -0.244 18492
4937 1 15 . 1 1 31 31 LEU C C 13 179.023 179.023 179.007 0.016 18492
4938 1 15 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.518 0.961 18492
4939 1 15 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.770 0.784 18492
4940 1 15 . 1 1 31 31 LEU H H 13 8.520 8.520 8.023 0.497 18492
4941 1 15 . 1 1 32 32 LEU N N 14 119.512 119.512 119.432 0.080 18492
4942 1 15 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.150 -0.192 18492
4943 1 15 . 1 1 32 32 LEU C C 14 178.844 178.844 177.384 1.460 18492
4944 1 15 . 1 1 32 32 LEU CA C 14 57.935 57.935 56.776 1.159 18492
4945 1 15 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.143 -0.478 18492
4946 1 15 . 1 1 32 32 LEU H H 14 7.322 7.322 7.950 -0.628 18492
4947 1 15 . 1 1 33 33 GLU N N 15 117.254 117.254 117.479 -0.225 18492
4948 1 15 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.012 -0.010 18492
4949 1 15 . 1 1 33 33 GLU C C 15 178.636 178.636 178.573 0.063 18492
4950 1 15 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.235 0.442 18492
4951 1 15 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.770 0.653 18492
4952 1 15 . 1 1 33 33 GLU H H 15 7.940 7.940 7.692 0.248 18492
4953 1 15 . 1 1 34 34 HIS N N 16 113.397 113.397 115.552 -2.155 18492
4954 1 15 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.456 0.310 18492
4955 1 15 . 1 1 34 34 HIS C C 16 176.465 176.465 176.320 0.145 18492
4956 1 15 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.823 -2.296 18492
4957 1 15 . 1 1 34 34 HIS CB C 16 32.394 32.394 32.008 0.387 18492
4958 1 15 . 1 1 34 34 HIS H H 16 8.732 8.732 8.097 0.635 18492
4959 1 15 . 1 1 35 35 GLY N N 17 112.392 112.392 107.114 5.278 18492
4960 1 15 . 1 1 35 35 GLY C C 17 172.914 172.914 173.628 -0.714 18492
4961 1 15 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.514 1.216 18492
4962 1 15 . 1 1 35 35 GLY H H 17 7.475 7.475 7.539 -0.064 18492
4963 1 15 . 1 1 36 36 ARG N N 18 121.605 121.605 121.792 -0.187 18492
4964 1 15 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.782 -1.097 18492
4965 1 15 . 1 1 36 36 ARG C C 18 174.673 174.673 174.766 -0.093 18492
4966 1 15 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.839 -0.163 18492
4967 1 15 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.117 -0.347 18492
4968 1 15 . 1 1 36 36 ARG H H 18 7.805 7.805 8.275 -0.470 18492
4969 1 15 . 1 1 37 37 ASN N N 19 118.725 118.725 120.408 -1.683 18492
4970 1 15 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.395 0.065 18492
4971 1 15 . 1 1 37 37 ASN C C 19 175.272 175.272 175.434 -0.162 18492
4972 1 15 . 1 1 37 37 ASN CA C 19 50.354 50.354 51.696 -1.342 18492
4973 1 15 . 1 1 37 37 ASN CB C 19 37.174 37.174 38.377 -1.203 18492
4974 1 15 . 1 1 37 37 ASN H H 19 6.939 6.939 7.494 -0.555 18492
4975 1 15 . 1 1 38 38 TRP N N 20 123.054 123.054 126.140 -3.086 18492
4976 1 15 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.349 0.063 18492
4977 1 15 . 1 1 38 38 TRP C C 20 177.950 177.950 178.212 -0.262 18492
4978 1 15 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.199 -1.397 18492
4979 1 15 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.995 1.605 18492
4980 1 15 . 1 1 38 38 TRP H H 20 7.064 7.064 7.502 -0.438 18492
4981 1 15 . 1 1 39 39 SER N N 21 112.959 112.959 113.611 -0.652 18492
4982 1 15 . 1 1 39 39 SER HA H 21 4.171 4.171 4.188 -0.017 18492
4983 1 15 . 1 1 39 39 SER C C 21 176.653 176.653 176.270 0.383 18492
4984 1 15 . 1 1 39 39 SER CA C 21 61.632 61.632 61.270 0.362 18492
4985 1 15 . 1 1 39 39 SER CB C 21 62.389 62.389 62.621 -0.232 18492
4986 1 15 . 1 1 39 39 SER H H 21 8.526 8.526 8.268 0.258 18492
4987 1 15 . 1 1 40 40 ALA N N 22 124.572 124.572 124.245 0.327 18492
4988 1 15 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.077 -0.268 18492
4989 1 15 . 1 1 40 40 ALA C C 22 180.307 180.307 179.864 0.443 18492
4990 1 15 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.957 -0.621 18492
4991 1 15 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.174 -1.354 18492
4992 1 15 . 1 1 40 40 ALA H H 22 7.130 7.130 7.712 -0.582 18492
4993 1 15 . 1 1 41 41 ILE N N 23 118.436 118.436 117.843 0.593 18492
4994 1 15 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.884 -0.299 18492
4995 1 15 . 1 1 41 41 ILE C C 23 177.684 177.684 177.743 -0.059 18492
4996 1 15 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.870 4.001 18492
4997 1 15 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.579 1.873 18492
4998 1 15 . 1 1 41 41 ILE H H 23 7.750 7.750 7.986 -0.236 18492
4999 1 15 . 1 1 42 42 ALA N N 24 122.987 122.987 122.599 0.388 18492
5000 1 15 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.244 -0.324 18492
5001 1 15 . 1 1 42 42 ALA C C 24 180.335 180.335 179.549 0.786 18492
5002 1 15 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.304 0.798 18492
5003 1 15 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.379 -0.045 18492
5004 1 15 . 1 1 42 42 ALA H H 24 8.730 8.730 8.376 0.354 18492
5005 1 15 . 1 1 43 43 ARG N N 25 117.188 117.188 119.376 -2.188 18492
5006 1 15 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.424 -0.402 18492
5007 1 15 . 1 1 43 43 ARG C C 25 178.559 178.559 178.253 0.306 18492
5008 1 15 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.334 0.732 18492
5009 1 15 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.088 -0.134 18492
5010 1 15 . 1 1 43 43 ARG H H 25 7.511 7.511 7.842 -0.331 18492
5011 1 15 . 1 1 44 44 MET N N 26 117.388 117.388 119.520 -2.132 18492
5012 1 15 . 1 1 44 44 MET HA H 26 4.029 4.029 4.281 -0.252 18492
5013 1 15 . 1 1 44 44 MET C C 26 177.655 177.655 177.653 0.002 18492
5014 1 15 . 1 1 44 44 MET CA C 26 58.926 58.926 58.778 0.148 18492
5015 1 15 . 1 1 44 44 MET CB C 26 34.267 34.267 33.030 1.237 18492
5016 1 15 . 1 1 44 44 MET H H 26 7.399 7.399 7.737 -0.338 18492
5017 1 15 . 1 1 45 45 VAL N N 27 119.232 119.232 113.764 5.468 18492
5018 1 15 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.216 -0.635 18492
5019 1 15 . 1 1 45 45 VAL C C 27 178.991 178.991 177.436 1.555 18492
5020 1 15 . 1 1 45 45 VAL CA C 27 65.759 65.759 63.935 1.824 18492
5021 1 15 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.486 -0.081 18492
5022 1 15 . 1 1 45 45 VAL H H 27 8.526 8.526 8.210 0.316 18492
5023 1 15 . 1 1 46 46 GLY N N 28 108.996 108.996 108.222 0.774 18492
5024 1 15 . 1 1 46 46 GLY C C 28 175.739 175.739 175.008 0.731 18492
5025 1 15 . 1 1 46 46 GLY CA C 28 47.250 47.250 44.743 2.507 18492
5026 1 15 . 1 1 46 46 GLY H H 28 8.663 8.663 7.842 0.821 18492
5027 1 15 . 1 1 47 47 SER N N 29 112.827 112.827 113.738 -0.911 18492
5028 1 15 . 1 1 47 47 SER HA H 29 4.291 4.291 4.341 -0.050 18492
5029 1 15 . 1 1 47 47 SER C C 29 173.701 173.701 173.648 0.053 18492
5030 1 15 . 1 1 47 47 SER CA C 29 57.352 57.352 59.386 -2.034 18492
5031 1 15 . 1 1 47 47 SER CB C 29 62.198 62.198 62.059 0.139 18492
5032 1 15 . 1 1 47 47 SER H H 29 7.948 7.948 7.854 0.094 18492
5033 1 15 . 1 1 48 48 LYS N N 30 119.562 119.562 117.936 1.626 18492
5034 1 15 . 1 1 48 48 LYS H H 30 6.655 6.655 7.824 -1.169 18492
5035 1 15 . 1 1 49 49 THR N N 31 111.264 111.264 114.803 -3.539 18492
5036 1 15 . 1 1 49 49 THR HA H 31 4.377 4.377 4.374 0.003 18492
5037 1 15 . 1 1 49 49 THR C C 31 176.481 176.481 176.380 0.101 18492
5038 1 15 . 1 1 49 49 THR CA C 31 60.302 60.302 61.491 -1.189 18492
5039 1 15 . 1 1 49 49 THR CB C 31 72.012 72.012 69.672 2.340 18492
5040 1 15 . 1 1 49 49 THR H H 31 8.900 8.900 8.326 0.574 18492
5041 1 15 . 1 1 50 50 VAL N N 32 121.079 121.079 126.145 -5.066 18492
5042 1 15 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.826 -0.306 18492
5043 1 15 . 1 1 50 50 VAL C C 32 177.818 177.818 177.104 0.714 18492
5044 1 15 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.506 2.559 18492
5045 1 15 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.911 -0.081 18492
5046 1 15 . 1 1 50 50 VAL H H 32 8.697 8.697 8.874 -0.177 18492
5047 1 15 . 1 1 51 51 SER N N 33 113.769 113.769 113.475 0.294 18492
5048 1 15 . 1 1 51 51 SER HA H 33 3.995 3.995 3.958 0.037 18492
5049 1 15 . 1 1 51 51 SER C C 33 177.346 177.346 176.675 0.671 18492
5050 1 15 . 1 1 51 51 SER CA C 33 61.640 61.640 61.268 0.372 18492
5051 1 15 . 1 1 51 51 SER CB C 33 62.431 62.431 62.693 -0.262 18492
5052 1 15 . 1 1 51 51 SER H H 33 8.334 8.334 8.099 0.235 18492
5053 1 15 . 1 1 52 52 GLN N N 34 120.084 120.084 120.010 0.074 18492
5054 1 15 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.282 0.021 18492
5055 1 15 . 1 1 52 52 GLN C C 34 180.343 180.343 178.737 1.606 18492
5056 1 15 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.991 0.291 18492
5057 1 15 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.498 1.064 18492
5058 1 15 . 1 1 52 52 GLN H H 34 7.781 7.781 7.888 -0.107 18492
5059 1 15 . 1 1 53 53 CYS N N 35 120.950 120.950 118.327 2.623 18492
5060 1 15 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.535 -0.076 18492
5061 1 15 . 1 1 53 53 CYS C C 35 175.170 175.170 176.481 -1.311 18492
5062 1 15 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.378 5.204 18492
5063 1 15 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.439 -0.324 18492
5064 1 15 . 1 1 53 53 CYS H H 35 8.748 8.748 7.862 0.886 18492
5065 1 15 . 1 1 54 54 LYS N N 36 120.488 120.488 120.814 -0.326 18492
5066 1 15 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.641 -1.416 18492
5067 1 15 . 1 1 54 54 LYS C C 36 177.848 177.848 178.517 -0.669 18492
5068 1 15 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.723 -0.262 18492
5069 1 15 . 1 1 54 54 LYS CB C 36 31.934 31.934 32.067 -0.133 18492
5070 1 15 . 1 1 54 54 LYS H H 36 7.790 7.790 8.115 -0.325 18492
5071 1 15 . 1 1 55 55 ASN N N 37 116.085 116.085 117.326 -1.241 18492
5072 1 15 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.411 0.013 18492
5073 1 15 . 1 1 55 55 ASN C C 37 177.149 177.149 177.633 -0.484 18492
5074 1 15 . 1 1 55 55 ASN CA C 37 56.086 56.086 56.250 -0.164 18492
5075 1 15 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.456 0.013 18492
5076 1 15 . 1 1 55 55 ASN H H 37 7.988 7.988 7.993 -0.005 18492
5077 1 15 . 1 1 56 56 PHE N N 38 121.512 121.512 121.565 -0.053 18492
5078 1 15 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.965 -0.385 18492
5079 1 15 . 1 1 56 56 PHE C C 38 175.968 175.968 176.244 -0.276 18492
5080 1 15 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.808 -0.151 18492
5081 1 15 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.435 0.426 18492
5082 1 15 . 1 1 56 56 PHE H H 38 8.117 8.117 7.598 0.519 18492
5083 1 15 . 1 1 57 57 TYR N N 39 114.465 114.465 117.640 -3.175 18492
5084 1 15 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.931 -0.264 18492
5085 1 15 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.902 0.946 18492
5086 1 15 . 1 1 57 57 TYR CB C 39 38.720 38.720 39.206 -0.486 18492
5087 1 15 . 1 1 57 57 TYR H H 39 7.723 7.723 7.483 0.240 18492
5088 1 15 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.204 -0.117 18492
5089 1 15 . 1 1 66 66 LEU C C 48 179.076 179.076 177.856 1.220 18492
5090 1 15 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.524 -0.260 18492
5091 1 15 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.377 -0.225 18492
5092 1 15 . 1 1 67 67 ASP N N 49 118.908 118.908 119.345 -0.437 18492
5093 1 15 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.327 0.370 18492
5094 1 15 . 1 1 67 67 ASP C C 49 179.483 179.483 178.235 1.248 18492
5095 1 15 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.747 -0.261 18492
5096 1 15 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.853 -1.775 18492
5097 1 15 . 1 1 67 67 ASP H H 49 8.630 8.630 8.369 0.261 18492
5098 1 15 . 1 1 68 68 GLU N N 50 122.261 122.261 119.647 2.614 18492
5099 1 15 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.107 0.015 18492
5100 1 15 . 1 1 68 68 GLU C C 50 179.120 179.120 178.914 0.206 18492
5101 1 15 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.119 0.262 18492
5102 1 15 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.669 -0.486 18492
5103 1 15 . 1 1 68 68 GLU H H 50 7.906 7.906 7.599 0.307 18492
5104 1 15 . 1 1 69 69 ILE N N 51 120.582 120.582 120.784 -0.202 18492
5105 1 15 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.756 0.038 18492
5106 1 15 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.056 -0.327 18492
5107 1 15 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.810 -0.347 18492
5108 1 15 . 1 1 69 69 ILE H H 51 7.296 7.296 7.385 -0.089 18492
5109 1 15 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.155 -0.067 18492
5110 1 15 . 1 1 70 70 LEU C C 52 180.091 180.091 178.968 1.123 18492
5111 1 15 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.665 0.186 18492
5112 1 15 . 1 1 70 70 LEU CB C 52 41.165 41.165 41.241 -0.076 18492
5113 1 15 . 1 1 71 71 GLN N N 53 121.069 121.069 118.719 2.350 18492
5114 1 15 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.933 0.247 18492
5115 1 15 . 1 1 71 71 GLN C C 53 178.551 178.551 178.248 0.303 18492
5116 1 15 . 1 1 71 71 GLN CA C 53 58.801 58.801 59.157 -0.356 18492
5117 1 15 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.617 -0.866 18492
5118 1 15 . 1 1 71 71 GLN H H 53 8.075 8.075 7.681 0.394 18492
5119 1 15 . 1 1 72 72 GLN N N 54 119.983 119.983 118.345 1.638 18492
5120 1 15 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.995 0.025 18492
5121 1 15 . 1 1 72 72 GLN C C 54 179.376 179.376 178.222 1.154 18492
5122 1 15 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.552 0.280 18492
5123 1 15 . 1 1 72 72 GLN CB C 54 28.078 28.078 27.970 0.108 18492
5124 1 15 . 1 1 72 72 GLN H H 54 7.900 7.900 8.044 -0.144 18492
5125 1 15 . 1 1 73 73 HIS N N 55 120.410 120.410 119.737 0.673 18492
5126 1 15 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.135 0.179 18492
5127 1 15 . 1 1 73 73 HIS C C 55 176.222 176.222 177.253 -1.031 18492
5128 1 15 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.892 0.110 18492
5129 1 15 . 1 1 73 73 HIS CB C 55 28.163 28.163 30.044 -1.881 18492
5130 1 15 . 1 1 73 73 HIS H H 55 8.637 8.637 7.986 0.651 18492
5131 1 15 . 1 1 74 74 LYS N N 56 120.014 120.014 119.499 0.515 18492
5132 1 15 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.885 -0.120 18492
5133 1 15 . 1 1 74 74 LYS C C 56 179.024 179.024 178.869 0.155 18492
5134 1 15 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.503 0.143 18492
5135 1 15 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.514 -0.319 18492
5136 1 15 . 1 1 74 74 LYS H H 56 7.944 7.944 7.538 0.406 18492
5137 1 15 . 1 1 75 75 LEU N N 57 119.352 119.352 116.727 2.625 18492
5138 1 15 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.177 -0.123 18492
5139 1 15 . 1 1 75 75 LEU C C 57 179.386 179.386 178.950 0.436 18492
5140 1 15 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.750 -0.104 18492
5141 1 15 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.119 0.660 18492
5142 1 15 . 1 1 75 75 LEU H H 57 7.870 7.870 8.032 -0.162 18492
5143 1 15 . 1 1 76 76 LYS N N 58 121.054 121.054 120.169 0.885 18492
5144 1 15 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.920 0.048 18492
5145 1 15 . 1 1 76 76 LYS C C 58 178.872 178.872 178.860 0.012 18492
5146 1 15 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.458 -0.152 18492
5147 1 15 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.106 0.147 18492
5148 1 15 . 1 1 76 76 LYS H H 58 7.943 7.943 8.053 -0.110 18492
5149 1 15 . 1 1 77 77 MET N N 59 117.676 117.676 118.986 -1.310 18492
5150 1 15 . 1 1 77 77 MET HA H 59 4.164 4.164 4.093 0.071 18492
5151 1 15 . 1 1 77 77 MET C C 59 179.131 179.131 178.069 1.062 18492
5152 1 15 . 1 1 77 77 MET CA C 59 57.271 57.271 58.536 -1.265 18492
5153 1 15 . 1 1 77 77 MET CB C 59 31.676 31.676 32.555 -0.879 18492
5154 1 15 . 1 1 77 77 MET H H 59 7.910 7.910 7.463 0.447 18492
5155 1 15 . 1 1 78 78 GLU N N 60 120.695 120.695 119.611 1.084 18492
5156 1 15 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.002 -0.002 18492
5157 1 15 . 1 1 78 78 GLU C C 60 178.407 178.407 178.470 -0.063 18492
5158 1 15 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.506 -0.228 18492
5159 1 15 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.164 0.305 18492
5160 1 15 . 1 1 78 78 GLU H H 60 8.005 8.005 8.061 -0.056 18492
5161 1 15 . 1 1 79 79 LYS N N 61 119.944 119.944 118.357 1.587 18492
5162 1 15 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.013 0.061 18492
5163 1 15 . 1 1 79 79 LYS C C 61 179.350 179.350 178.936 0.414 18492
5164 1 15 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.354 -0.302 18492
5165 1 15 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.228 0.013 18492
5166 1 15 . 1 1 79 79 LYS H H 61 7.993 7.993 7.829 0.164 18492
5167 1 15 . 1 1 80 80 GLU N N 62 119.421 119.421 118.287 1.134 18492
5168 1 15 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.155 -0.103 18492
5169 1 15 . 1 1 80 80 GLU C C 62 178.434 178.434 178.686 -0.252 18492
5170 1 15 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.459 0.119 18492
5171 1 15 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.198 0.313 18492
5172 1 15 . 1 1 80 80 GLU H H 62 8.011 8.011 7.791 0.220 18492
5173 1 15 . 1 1 81 81 ARG N N 63 120.087 120.087 120.987 -0.900 18492
5174 1 15 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.020 0.043 18492
5175 1 15 . 1 1 81 81 ARG C C 63 178.289 178.289 178.542 -0.253 18492
5176 1 15 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.501 -0.771 18492
5177 1 15 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.183 -0.199 18492
5178 1 15 . 1 1 81 81 ARG H H 63 8.038 8.038 7.786 0.252 18492
5179 1 15 . 1 1 82 82 ASN N N 64 117.835 117.835 117.786 0.049 18492
5180 1 15 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.486 0.040 18492
5181 1 15 . 1 1 82 82 ASN C C 64 176.397 176.397 177.453 -1.056 18492
5182 1 15 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.827 -1.152 18492
5183 1 15 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.008 0.487 18492
5184 1 15 . 1 1 82 82 ASN H H 64 8.176 8.176 7.782 0.394 18492
5185 1 15 . 1 1 83 83 ALA N N 65 122.797 122.797 122.284 0.513 18492
5186 1 15 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.028 0.176 18492
5187 1 15 . 1 1 83 83 ALA C C 65 178.776 178.776 178.240 0.536 18492
5188 1 15 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.875 -1.117 18492
5189 1 15 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.576 0.193 18492
5190 1 15 . 1 1 83 83 ALA H H 65 7.883 7.883 7.718 0.165 18492
5191 1 15 . 1 1 84 84 ARG N N 66 118.042 118.042 115.749 2.293 18492
5192 1 15 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.182 0.031 18492
5193 1 15 . 1 1 84 84 ARG C C 66 177.040 177.040 179.160 -2.120 18492
5194 1 15 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.358 -1.288 18492
5195 1 15 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.209 0.176 18492
5196 1 15 . 1 1 84 84 ARG H H 66 7.855 7.855 7.610 0.245 18492
5197 1 15 . 1 1 85 85 ARG N N 67 120.431 120.431 117.846 2.585 18492
5198 1 15 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.425 -0.211 18492
5199 1 15 . 1 1 85 85 ARG C C 67 176.547 176.547 177.118 -0.571 18492
5200 1 15 . 1 1 85 85 ARG CA C 67 56.886 56.886 56.227 0.659 18492
5201 1 15 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.673 0.652 18492
5202 1 15 . 1 1 85 85 ARG H H 67 7.873 7.873 7.905 -0.032 18492
5203 1 15 . 1 1 86 86 LYS N N 68 121.690 121.690 118.340 3.350 18492
5204 1 15 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.492 -0.227 18492
5205 1 15 . 1 1 86 86 LYS C C 68 176.561 176.561 175.461 1.100 18492
5206 1 15 . 1 1 86 86 LYS CA C 68 56.926 56.926 54.484 2.442 18492
5207 1 15 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.248 0.638 18492
5208 1 15 . 1 1 86 86 LYS H H 68 8.040 8.040 7.764 0.276 18492
5209 1 15 . 1 1 87 87 LYS N N 69 122.486 122.486 122.104 0.382 18492
5210 1 15 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.068 0.201 18492
5211 1 15 . 1 1 87 87 LYS C C 69 176.383 176.383 176.858 -0.475 18492
5212 1 15 . 1 1 87 87 LYS CA C 69 56.500 56.500 57.651 -1.151 18492
5213 1 15 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.837 1.263 18492
5214 1 15 . 1 1 87 87 LYS H H 69 8.116 8.116 7.358 0.758 18492
5215 1 15 . 1 1 88 88 LYS N N 70 123.589 123.589 122.289 1.300 18492
5216 1 15 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.424 -0.177 18492
5217 1 15 . 1 1 88 88 LYS C C 70 175.618 175.618 176.575 -0.957 18492
5218 1 15 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.116 0.577 18492
5219 1 15 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.968 0.121 18492
5220 1 15 . 1 1 88 88 LYS H H 70 8.247 8.247 8.378 -0.131 18492
5221 1 16 . 1 1 20 20 THR N N 2 114.872 114.872 118.546 -3.674 18492
5222 1 16 . 1 1 20 20 THR HA H 2 4.639 4.639 4.542 0.097 18492
5223 1 16 . 1 1 20 20 THR C C 2 175.858 175.858 175.370 0.488 18492
5224 1 16 . 1 1 20 20 THR CA C 2 59.992 59.992 61.448 -1.456 18492
5225 1 16 . 1 1 20 20 THR CB C 2 71.359 71.359 70.514 0.845 18492
5226 1 16 . 1 1 20 20 THR H H 2 9.423 9.423 8.362 1.061 18492
5227 1 16 . 1 1 21 21 GLU N N 3 121.694 121.694 122.663 -0.969 18492
5228 1 16 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.100 -0.081 18492
5229 1 16 . 1 1 21 21 GLU C C 3 179.808 179.808 178.602 1.206 18492
5230 1 16 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.900 0.342 18492
5231 1 16 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.780 -0.447 18492
5232 1 16 . 1 1 21 21 GLU H H 3 9.120 9.120 8.945 0.175 18492
5233 1 16 . 1 1 22 22 GLU N N 4 120.617 120.617 117.904 2.713 18492
5234 1 16 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.069 0.033 18492
5235 1 16 . 1 1 22 22 GLU C C 4 179.604 179.604 178.941 0.663 18492
5236 1 16 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.400 0.503 18492
5237 1 16 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.245 -0.076 18492
5238 1 16 . 1 1 22 22 GLU H H 4 8.735 8.735 8.800 -0.065 18492
5239 1 16 . 1 1 23 23 GLU N N 5 120.811 120.811 118.317 2.494 18492
5240 1 16 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.258 -0.184 18492
5241 1 16 . 1 1 23 23 GLU C C 5 179.511 179.511 178.885 0.626 18492
5242 1 16 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.249 1.218 18492
5243 1 16 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.115 2.298 18492
5244 1 16 . 1 1 23 23 GLU H H 5 7.887 7.887 7.912 -0.025 18492
5245 1 16 . 1 1 24 24 MET N N 6 117.260 117.260 121.288 -4.028 18492
5246 1 16 . 1 1 24 24 MET HA H 6 3.665 3.665 4.528 -0.863 18492
5247 1 16 . 1 1 24 24 MET C C 6 178.480 178.480 178.628 -0.148 18492
5248 1 16 . 1 1 24 24 MET CA C 6 60.134 60.134 58.374 1.760 18492
5249 1 16 . 1 1 24 24 MET CB C 6 33.059 33.059 32.694 0.365 18492
5250 1 16 . 1 1 24 24 MET H H 6 8.607 8.607 8.726 -0.119 18492
5251 1 16 . 1 1 25 25 GLY N N 7 106.564 106.564 105.187 1.377 18492
5252 1 16 . 1 1 25 25 GLY C C 7 177.376 177.376 176.004 1.372 18492
5253 1 16 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.171 0.161 18492
5254 1 16 . 1 1 25 25 GLY H H 7 8.494 8.494 8.382 0.112 18492
5255 1 16 . 1 1 26 26 THR N N 8 121.127 121.127 118.571 2.556 18492
5256 1 16 . 1 1 26 26 THR HA H 8 3.956 3.956 4.110 -0.154 18492
5257 1 16 . 1 1 26 26 THR C C 8 175.895 175.895 175.848 0.047 18492
5258 1 16 . 1 1 26 26 THR CA C 8 66.737 66.737 65.914 0.823 18492
5259 1 16 . 1 1 26 26 THR CB C 8 67.623 67.623 68.496 -0.873 18492
5260 1 16 . 1 1 26 26 THR H H 8 8.242 8.242 7.510 0.732 18492
5261 1 16 . 1 1 27 27 ALA N N 9 125.226 125.226 124.626 0.600 18492
5262 1 16 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.054 -0.175 18492
5263 1 16 . 1 1 27 27 ALA C C 9 179.361 179.361 179.092 0.269 18492
5264 1 16 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.295 0.449 18492
5265 1 16 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.875 -0.186 18492
5266 1 16 . 1 1 27 27 ALA H H 9 8.605 8.605 8.352 0.253 18492
5267 1 16 . 1 1 28 28 LYS N N 10 116.449 116.449 119.296 -2.847 18492
5268 1 16 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.114 -0.220 18492
5269 1 16 . 1 1 28 28 LYS C C 10 179.264 179.264 178.711 0.553 18492
5270 1 16 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.266 1.988 18492
5271 1 16 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.362 -0.170 18492
5272 1 16 . 1 1 28 28 LYS H H 10 8.149 8.149 8.005 0.144 18492
5273 1 16 . 1 1 29 29 LYS N N 11 121.248 121.248 118.772 2.476 18492
5274 1 16 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.085 -0.058 18492
5275 1 16 . 1 1 29 29 LYS C C 11 179.168 179.168 179.038 0.130 18492
5276 1 16 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.647 0.964 18492
5277 1 16 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.980 0.129 18492
5278 1 16 . 1 1 29 29 LYS H H 11 7.747 7.747 7.794 -0.047 18492
5279 1 16 . 1 1 30 30 GLY N N 12 108.727 108.727 107.391 1.336 18492
5280 1 16 . 1 1 30 30 GLY C C 12 174.800 174.800 176.279 -1.479 18492
5281 1 16 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.180 1.839 18492
5282 1 16 . 1 1 30 30 GLY H H 12 8.838 8.838 7.987 0.851 18492
5283 1 16 . 1 1 31 31 LEU N N 13 124.189 124.189 122.381 1.808 18492
5284 1 16 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.367 -0.278 18492
5285 1 16 . 1 1 31 31 LEU C C 13 179.023 179.023 179.156 -0.133 18492
5286 1 16 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.612 0.867 18492
5287 1 16 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.840 0.715 18492
5288 1 16 . 1 1 31 31 LEU H H 13 8.520 8.520 8.079 0.441 18492
5289 1 16 . 1 1 32 32 LEU N N 14 119.512 119.512 118.706 0.806 18492
5290 1 16 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.887 0.071 18492
5291 1 16 . 1 1 32 32 LEU C C 14 178.844 178.844 176.680 2.164 18492
5292 1 16 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.364 0.572 18492
5293 1 16 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.990 -0.325 18492
5294 1 16 . 1 1 32 32 LEU H H 14 7.322 7.322 7.991 -0.669 18492
5295 1 16 . 1 1 33 33 GLU N N 15 117.254 117.254 116.532 0.722 18492
5296 1 16 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.884 0.118 18492
5297 1 16 . 1 1 33 33 GLU C C 15 178.636 178.636 178.906 -0.270 18492
5298 1 16 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.123 0.554 18492
5299 1 16 . 1 1 33 33 GLU CB C 15 30.423 30.423 30.345 0.078 18492
5300 1 16 . 1 1 33 33 GLU H H 15 7.940 7.940 7.602 0.338 18492
5301 1 16 . 1 1 34 34 HIS N N 16 113.397 113.397 115.921 -2.524 18492
5302 1 16 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.396 0.370 18492
5303 1 16 . 1 1 34 34 HIS C C 16 176.465 176.465 176.314 0.151 18492
5304 1 16 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.959 -2.433 18492
5305 1 16 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.792 1.602 18492
5306 1 16 . 1 1 34 34 HIS H H 16 8.732 8.732 8.082 0.650 18492
5307 1 16 . 1 1 35 35 GLY N N 17 112.392 112.392 107.514 4.878 18492
5308 1 16 . 1 1 35 35 GLY C C 17 172.914 172.914 174.332 -1.418 18492
5309 1 16 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.628 1.103 18492
5310 1 16 . 1 1 35 35 GLY H H 17 7.475 7.475 7.482 -0.008 18492
5311 1 16 . 1 1 36 36 ARG N N 18 121.605 121.605 122.219 -0.614 18492
5312 1 16 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.424 -0.739 18492
5313 1 16 . 1 1 36 36 ARG C C 18 174.673 174.673 174.988 -0.315 18492
5314 1 16 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.900 -0.224 18492
5315 1 16 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.319 -0.549 18492
5316 1 16 . 1 1 36 36 ARG H H 18 7.805 7.805 8.309 -0.504 18492
5317 1 16 . 1 1 37 37 ASN N N 19 118.725 118.725 120.909 -2.184 18492
5318 1 16 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.567 -0.107 18492
5319 1 16 . 1 1 37 37 ASN C C 19 175.272 175.272 175.389 -0.117 18492
5320 1 16 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.391 -2.037 18492
5321 1 16 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.852 0.322 18492
5322 1 16 . 1 1 37 37 ASN H H 19 6.939 6.939 7.532 -0.593 18492
5323 1 16 . 1 1 38 38 TRP N N 20 123.054 123.054 123.084 -0.030 18492
5324 1 16 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.323 0.089 18492
5325 1 16 . 1 1 38 38 TRP C C 20 177.950 177.950 178.119 -0.169 18492
5326 1 16 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.788 -1.986 18492
5327 1 16 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.853 1.747 18492
5328 1 16 . 1 1 38 38 TRP H H 20 7.064 7.064 7.627 -0.563 18492
5329 1 16 . 1 1 39 39 SER N N 21 112.959 112.959 113.559 -0.600 18492
5330 1 16 . 1 1 39 39 SER HA H 21 4.171 4.171 4.130 0.041 18492
5331 1 16 . 1 1 39 39 SER C C 21 176.653 176.653 176.278 0.375 18492
5332 1 16 . 1 1 39 39 SER CA C 21 61.632 61.632 61.121 0.511 18492
5333 1 16 . 1 1 39 39 SER CB C 21 62.389 62.389 62.364 0.025 18492
5334 1 16 . 1 1 39 39 SER H H 21 8.526 8.526 8.429 0.097 18492
5335 1 16 . 1 1 40 40 ALA N N 22 124.572 124.572 124.366 0.206 18492
5336 1 16 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.085 -0.276 18492
5337 1 16 . 1 1 40 40 ALA C C 22 180.307 180.307 179.530 0.777 18492
5338 1 16 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.548 -0.212 18492
5339 1 16 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.285 -1.465 18492
5340 1 16 . 1 1 40 40 ALA H H 22 7.130 7.130 7.617 -0.487 18492
5341 1 16 . 1 1 41 41 ILE N N 23 118.436 118.436 118.325 0.111 18492
5342 1 16 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.773 -0.188 18492
5343 1 16 . 1 1 41 41 ILE C C 23 177.684 177.684 177.697 -0.013 18492
5344 1 16 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.776 4.095 18492
5345 1 16 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.527 1.925 18492
5346 1 16 . 1 1 41 41 ILE H H 23 7.750 7.750 8.020 -0.270 18492
5347 1 16 . 1 1 42 42 ALA N N 24 122.987 122.987 122.520 0.467 18492
5348 1 16 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.051 -0.131 18492
5349 1 16 . 1 1 42 42 ALA C C 24 180.335 180.335 179.236 1.099 18492
5350 1 16 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.357 0.745 18492
5351 1 16 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.466 -0.132 18492
5352 1 16 . 1 1 42 42 ALA H H 24 8.730 8.730 8.466 0.264 18492
5353 1 16 . 1 1 43 43 ARG N N 25 117.188 117.188 118.798 -1.610 18492
5354 1 16 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.201 -0.179 18492
5355 1 16 . 1 1 43 43 ARG C C 25 178.559 178.559 178.571 -0.012 18492
5356 1 16 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.519 0.547 18492
5357 1 16 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.203 -0.249 18492
5358 1 16 . 1 1 43 43 ARG H H 25 7.511 7.511 7.700 -0.189 18492
5359 1 16 . 1 1 44 44 MET N N 26 117.388 117.388 119.213 -1.825 18492
5360 1 16 . 1 1 44 44 MET HA H 26 4.029 4.029 4.244 -0.215 18492
5361 1 16 . 1 1 44 44 MET C C 26 177.655 177.655 177.454 0.201 18492
5362 1 16 . 1 1 44 44 MET CA C 26 58.926 58.926 58.851 0.075 18492
5363 1 16 . 1 1 44 44 MET CB C 26 34.267 34.267 32.975 1.292 18492
5364 1 16 . 1 1 44 44 MET H H 26 7.399 7.399 7.609 -0.210 18492
5365 1 16 . 1 1 45 45 VAL N N 27 119.232 119.232 114.776 4.456 18492
5366 1 16 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.268 -0.687 18492
5367 1 16 . 1 1 45 45 VAL C C 27 178.991 178.991 177.604 1.387 18492
5368 1 16 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.168 1.591 18492
5369 1 16 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.122 0.283 18492
5370 1 16 . 1 1 45 45 VAL H H 27 8.526 8.526 8.090 0.436 18492
5371 1 16 . 1 1 46 46 GLY N N 28 108.996 108.996 107.484 1.512 18492
5372 1 16 . 1 1 46 46 GLY C C 28 175.739 175.739 174.952 0.787 18492
5373 1 16 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.104 2.146 18492
5374 1 16 . 1 1 46 46 GLY H H 28 8.663 8.663 7.781 0.882 18492
5375 1 16 . 1 1 47 47 SER N N 29 112.827 112.827 113.548 -0.721 18492
5376 1 16 . 1 1 47 47 SER HA H 29 4.291 4.291 4.230 0.061 18492
5377 1 16 . 1 1 47 47 SER C C 29 173.701 173.701 173.609 0.092 18492
5378 1 16 . 1 1 47 47 SER CA C 29 57.352 57.352 59.588 -2.236 18492
5379 1 16 . 1 1 47 47 SER CB C 29 62.198 62.198 62.206 -0.008 18492
5380 1 16 . 1 1 47 47 SER H H 29 7.948 7.948 7.934 0.014 18492
5381 1 16 . 1 1 48 48 LYS N N 30 119.562 119.562 118.780 0.782 18492
5382 1 16 . 1 1 48 48 LYS H H 30 6.655 6.655 7.995 -1.340 18492
5383 1 16 . 1 1 49 49 THR N N 31 111.264 111.264 118.279 -7.015 18492
5384 1 16 . 1 1 49 49 THR HA H 31 4.377 4.377 4.226 0.151 18492
5385 1 16 . 1 1 49 49 THR C C 31 176.481 176.481 176.354 0.127 18492
5386 1 16 . 1 1 49 49 THR CA C 31 60.302 60.302 62.844 -2.542 18492
5387 1 16 . 1 1 49 49 THR CB C 31 72.012 72.012 69.217 2.795 18492
5388 1 16 . 1 1 49 49 THR H H 31 8.900 8.900 8.308 0.592 18492
5389 1 16 . 1 1 50 50 VAL N N 32 121.079 121.079 125.696 -4.617 18492
5390 1 16 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.813 -0.293 18492
5391 1 16 . 1 1 50 50 VAL C C 32 177.818 177.818 177.328 0.490 18492
5392 1 16 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.811 2.254 18492
5393 1 16 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.730 0.100 18492
5394 1 16 . 1 1 50 50 VAL H H 32 8.697 8.697 8.728 -0.031 18492
5395 1 16 . 1 1 51 51 SER N N 33 113.769 113.769 114.757 -0.988 18492
5396 1 16 . 1 1 51 51 SER HA H 33 3.995 3.995 4.118 -0.123 18492
5397 1 16 . 1 1 51 51 SER C C 33 177.346 177.346 176.890 0.456 18492
5398 1 16 . 1 1 51 51 SER CA C 33 61.640 61.640 62.137 -0.497 18492
5399 1 16 . 1 1 51 51 SER CB C 33 62.431 62.431 62.374 0.057 18492
5400 1 16 . 1 1 51 51 SER H H 33 8.334 8.334 8.322 0.012 18492
5401 1 16 . 1 1 52 52 GLN N N 34 120.084 120.084 120.965 -0.881 18492
5402 1 16 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.283 0.020 18492
5403 1 16 . 1 1 52 52 GLN C C 34 180.343 180.343 178.189 2.154 18492
5404 1 16 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.884 0.398 18492
5405 1 16 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.335 1.227 18492
5406 1 16 . 1 1 52 52 GLN H H 34 7.781 7.781 8.155 -0.374 18492
5407 1 16 . 1 1 53 53 CYS N N 35 120.950 120.950 117.367 3.583 18492
5408 1 16 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.379 0.080 18492
5409 1 16 . 1 1 53 53 CYS C C 35 175.170 175.170 176.937 -1.767 18492
5410 1 16 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.310 5.272 18492
5411 1 16 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.899 0.214 18492
5412 1 16 . 1 1 53 53 CYS H H 35 8.748 8.748 7.885 0.863 18492
5413 1 16 . 1 1 54 54 LYS N N 36 120.488 120.488 120.642 -0.154 18492
5414 1 16 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.737 -1.512 18492
5415 1 16 . 1 1 54 54 LYS C C 36 177.848 177.848 179.644 -1.796 18492
5416 1 16 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.116 0.345 18492
5417 1 16 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.878 0.056 18492
5418 1 16 . 1 1 54 54 LYS H H 36 7.790 7.790 7.979 -0.189 18492
5419 1 16 . 1 1 55 55 ASN N N 37 116.085 116.085 118.527 -2.442 18492
5420 1 16 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.665 -0.241 18492
5421 1 16 . 1 1 55 55 ASN C C 37 177.149 177.149 177.482 -0.333 18492
5422 1 16 . 1 1 55 55 ASN CA C 37 56.086 56.086 56.057 0.029 18492
5423 1 16 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.588 -0.119 18492
5424 1 16 . 1 1 55 55 ASN H H 37 7.988 7.988 8.091 -0.103 18492
5425 1 16 . 1 1 56 56 PHE N N 38 121.512 121.512 122.136 -0.624 18492
5426 1 16 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.850 -0.270 18492
5427 1 16 . 1 1 56 56 PHE C C 38 175.968 175.968 176.904 -0.936 18492
5428 1 16 . 1 1 56 56 PHE CA C 38 60.657 60.657 61.141 -0.484 18492
5429 1 16 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.413 0.448 18492
5430 1 16 . 1 1 56 56 PHE H H 38 8.117 8.117 8.001 0.116 18492
5431 1 16 . 1 1 57 57 TYR N N 39 114.465 114.465 118.488 -4.023 18492
5432 1 16 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.783 -0.116 18492
5433 1 16 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.742 1.106 18492
5434 1 16 . 1 1 57 57 TYR CB C 39 38.720 38.720 37.985 0.735 18492
5435 1 16 . 1 1 57 57 TYR H H 39 7.723 7.723 7.817 -0.094 18492
5436 1 16 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.286 -0.199 18492
5437 1 16 . 1 1 66 66 LEU C C 48 179.076 179.076 177.029 2.047 18492
5438 1 16 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.642 -0.377 18492
5439 1 16 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.458 -0.306 18492
5440 1 16 . 1 1 67 67 ASP N N 49 118.908 118.908 117.902 1.006 18492
5441 1 16 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.309 0.388 18492
5442 1 16 . 1 1 67 67 ASP C C 49 179.483 179.483 177.860 1.623 18492
5443 1 16 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.412 0.074 18492
5444 1 16 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.236 -1.158 18492
5445 1 16 . 1 1 67 67 ASP H H 49 8.630 8.630 8.872 -0.242 18492
5446 1 16 . 1 1 68 68 GLU N N 50 122.261 122.261 119.922 2.339 18492
5447 1 16 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.168 -0.045 18492
5448 1 16 . 1 1 68 68 GLU C C 50 179.120 179.120 178.739 0.381 18492
5449 1 16 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.466 0.915 18492
5450 1 16 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.095 0.088 18492
5451 1 16 . 1 1 68 68 GLU H H 50 7.906 7.906 8.293 -0.387 18492
5452 1 16 . 1 1 69 69 ILE N N 51 120.582 120.582 121.652 -1.070 18492
5453 1 16 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.773 0.021 18492
5454 1 16 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.028 -0.300 18492
5455 1 16 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.982 -0.519 18492
5456 1 16 . 1 1 69 69 ILE H H 51 7.296 7.296 7.415 -0.119 18492
5457 1 16 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.263 -0.175 18492
5458 1 16 . 1 1 70 70 LEU C C 52 180.091 180.091 179.461 0.630 18492
5459 1 16 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.458 1.393 18492
5460 1 16 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.567 0.598 18492
5461 1 16 . 1 1 71 71 GLN N N 53 121.069 121.069 120.047 1.022 18492
5462 1 16 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.022 0.158 18492
5463 1 16 . 1 1 71 71 GLN C C 53 178.551 178.551 178.268 0.283 18492
5464 1 16 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.852 -0.051 18492
5465 1 16 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.251 -0.500 18492
5466 1 16 . 1 1 71 71 GLN H H 53 8.075 8.075 8.120 -0.045 18492
5467 1 16 . 1 1 72 72 GLN N N 54 119.983 119.983 117.771 2.212 18492
5468 1 16 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.048 -0.028 18492
5469 1 16 . 1 1 72 72 GLN C C 54 179.376 179.376 178.663 0.713 18492
5470 1 16 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.435 0.397 18492
5471 1 16 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.398 -0.320 18492
5472 1 16 . 1 1 72 72 GLN H H 54 7.900 7.900 8.161 -0.261 18492
5473 1 16 . 1 1 73 73 HIS N N 55 120.410 120.410 119.549 0.861 18492
5474 1 16 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.229 0.085 18492
5475 1 16 . 1 1 73 73 HIS C C 55 176.222 176.222 177.236 -1.014 18492
5476 1 16 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.300 0.702 18492
5477 1 16 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.690 -1.527 18492
5478 1 16 . 1 1 73 73 HIS H H 55 8.637 8.637 8.095 0.542 18492
5479 1 16 . 1 1 74 74 LYS N N 56 120.014 120.014 120.233 -0.219 18492
5480 1 16 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.932 -0.167 18492
5481 1 16 . 1 1 74 74 LYS C C 56 179.024 179.024 178.565 0.459 18492
5482 1 16 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.633 0.013 18492
5483 1 16 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.407 -0.212 18492
5484 1 16 . 1 1 74 74 LYS H H 56 7.944 7.944 7.673 0.271 18492
5485 1 16 . 1 1 75 75 LEU N N 57 119.352 119.352 116.931 2.421 18492
5486 1 16 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.143 -0.089 18492
5487 1 16 . 1 1 75 75 LEU C C 57 179.386 179.386 179.032 0.354 18492
5488 1 16 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.977 -0.331 18492
5489 1 16 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.265 0.514 18492
5490 1 16 . 1 1 75 75 LEU H H 57 7.870 7.870 7.782 0.088 18492
5491 1 16 . 1 1 76 76 LYS N N 58 121.054 121.054 120.003 1.051 18492
5492 1 16 . 1 1 76 76 LYS HA H 58 3.968 3.968 4.001 -0.033 18492
5493 1 16 . 1 1 76 76 LYS C C 58 178.872 178.872 178.678 0.194 18492
5494 1 16 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.114 0.192 18492
5495 1 16 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.180 0.073 18492
5496 1 16 . 1 1 76 76 LYS H H 58 7.943 7.943 8.210 -0.267 18492
5497 1 16 . 1 1 77 77 MET N N 59 117.676 117.676 119.574 -1.898 18492
5498 1 16 . 1 1 77 77 MET HA H 59 4.164 4.164 4.213 -0.049 18492
5499 1 16 . 1 1 77 77 MET C C 59 179.131 179.131 178.171 0.960 18492
5500 1 16 . 1 1 77 77 MET CA C 59 57.271 57.271 57.638 -0.367 18492
5501 1 16 . 1 1 77 77 MET CB C 59 31.676 31.676 31.923 -0.247 18492
5502 1 16 . 1 1 77 77 MET H H 59 7.910 7.910 7.664 0.246 18492
5503 1 16 . 1 1 78 78 GLU N N 60 120.695 120.695 118.715 1.980 18492
5504 1 16 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.025 -0.025 18492
5505 1 16 . 1 1 78 78 GLU C C 60 178.407 178.407 178.917 -0.510 18492
5506 1 16 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.463 -0.185 18492
5507 1 16 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.165 0.304 18492
5508 1 16 . 1 1 78 78 GLU H H 60 8.005 8.005 8.074 -0.069 18492
5509 1 16 . 1 1 79 79 LYS N N 61 119.944 119.944 118.775 1.169 18492
5510 1 16 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.036 0.038 18492
5511 1 16 . 1 1 79 79 LYS C C 61 179.350 179.350 179.099 0.251 18492
5512 1 16 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.288 -0.235 18492
5513 1 16 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.327 -0.086 18492
5514 1 16 . 1 1 79 79 LYS H H 61 7.993 7.993 7.891 0.102 18492
5515 1 16 . 1 1 80 80 GLU N N 62 119.421 119.421 118.962 0.459 18492
5516 1 16 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.102 -0.050 18492
5517 1 16 . 1 1 80 80 GLU C C 62 178.434 178.434 178.591 -0.157 18492
5518 1 16 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.817 -0.239 18492
5519 1 16 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.188 0.323 18492
5520 1 16 . 1 1 80 80 GLU H H 62 8.011 8.011 8.335 -0.324 18492
5521 1 16 . 1 1 81 81 ARG N N 63 120.087 120.087 119.542 0.545 18492
5522 1 16 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.025 0.038 18492
5523 1 16 . 1 1 81 81 ARG C C 63 178.289 178.289 178.010 0.279 18492
5524 1 16 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.048 -0.320 18492
5525 1 16 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.236 -0.252 18492
5526 1 16 . 1 1 81 81 ARG H H 63 8.038 8.038 7.596 0.442 18492
5527 1 16 . 1 1 82 82 ASN N N 64 117.835 117.835 116.418 1.417 18492
5528 1 16 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.542 -0.016 18492
5529 1 16 . 1 1 82 82 ASN C C 64 176.397 176.397 177.689 -1.292 18492
5530 1 16 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.651 -0.976 18492
5531 1 16 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.431 0.063 18492
5532 1 16 . 1 1 82 82 ASN H H 64 8.176 8.176 7.999 0.177 18492
5533 1 16 . 1 1 83 83 ALA N N 65 122.797 122.797 123.083 -0.286 18492
5534 1 16 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.117 0.087 18492
5535 1 16 . 1 1 83 83 ALA C C 65 178.776 178.776 179.521 -0.745 18492
5536 1 16 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.874 -1.116 18492
5537 1 16 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.616 0.153 18492
5538 1 16 . 1 1 83 83 ALA H H 65 7.883 7.883 7.785 0.098 18492
5539 1 16 . 1 1 84 84 ARG N N 66 118.042 118.042 115.119 2.923 18492
5540 1 16 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.207 0.006 18492
5541 1 16 . 1 1 84 84 ARG C C 66 177.040 177.040 176.722 0.318 18492
5542 1 16 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.383 -0.313 18492
5543 1 16 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.233 0.152 18492
5544 1 16 . 1 1 84 84 ARG H H 66 7.855 7.855 7.686 0.169 18492
5545 1 16 . 1 1 85 85 ARG N N 67 120.431 120.431 118.024 2.407 18492
5546 1 16 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.534 -0.320 18492
5547 1 16 . 1 1 85 85 ARG C C 67 176.547 176.547 176.725 -0.178 18492
5548 1 16 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.431 1.455 18492
5549 1 16 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.443 -0.118 18492
5550 1 16 . 1 1 85 85 ARG H H 67 7.873 7.873 7.348 0.525 18492
5551 1 16 . 1 1 86 86 LYS N N 68 121.690 121.690 119.481 2.209 18492
5552 1 16 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.246 0.019 18492
5553 1 16 . 1 1 86 86 LYS C C 68 176.561 176.561 176.636 -0.075 18492
5554 1 16 . 1 1 86 86 LYS CA C 68 56.926 56.926 57.248 -0.322 18492
5555 1 16 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.789 0.097 18492
5556 1 16 . 1 1 86 86 LYS H H 68 8.040 8.040 7.898 0.142 18492
5557 1 16 . 1 1 87 87 LYS N N 69 122.486 122.486 121.242 1.244 18492
5558 1 16 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.223 0.046 18492
5559 1 16 . 1 1 87 87 LYS C C 69 176.383 176.383 176.179 0.204 18492
5560 1 16 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.559 -0.059 18492
5561 1 16 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.534 1.566 18492
5562 1 16 . 1 1 87 87 LYS H H 69 8.116 8.116 7.839 0.277 18492
5563 1 16 . 1 1 88 88 LYS N N 70 123.589 123.589 123.068 0.521 18492
5564 1 16 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.489 -0.242 18492
5565 1 16 . 1 1 88 88 LYS C C 70 175.618 175.618 175.415 0.203 18492
5566 1 16 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.113 0.580 18492
5567 1 16 . 1 1 88 88 LYS CB C 70 33.089 33.089 34.412 -1.323 18492
5568 1 16 . 1 1 88 88 LYS H H 70 8.247 8.247 8.114 0.133 18492
5569 1 17 . 1 1 20 20 THR N N 2 114.872 114.872 118.385 -3.513 18492
5570 1 17 . 1 1 20 20 THR HA H 2 4.639 4.639 4.722 -0.083 18492
5571 1 17 . 1 1 20 20 THR C C 2 175.858 175.858 175.369 0.489 18492
5572 1 17 . 1 1 20 20 THR CA C 2 59.992 59.992 60.598 -0.606 18492
5573 1 17 . 1 1 20 20 THR CB C 2 71.359 71.359 70.807 0.552 18492
5574 1 17 . 1 1 20 20 THR H H 2 9.423 9.423 8.572 0.851 18492
5575 1 17 . 1 1 21 21 GLU N N 3 121.694 121.694 121.599 0.095 18492
5576 1 17 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.035 -0.016 18492
5577 1 17 . 1 1 21 21 GLU C C 3 179.808 179.808 178.571 1.237 18492
5578 1 17 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.347 0.895 18492
5579 1 17 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.351 -0.017 18492
5580 1 17 . 1 1 21 21 GLU H H 3 9.120 9.120 8.893 0.227 18492
5581 1 17 . 1 1 22 22 GLU N N 4 120.617 120.617 119.090 1.527 18492
5582 1 17 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.132 -0.030 18492
5583 1 17 . 1 1 22 22 GLU C C 4 179.604 179.604 178.786 0.818 18492
5584 1 17 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.509 0.394 18492
5585 1 17 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.803 0.366 18492
5586 1 17 . 1 1 22 22 GLU H H 4 8.735 8.735 8.688 0.047 18492
5587 1 17 . 1 1 23 23 GLU N N 5 120.811 120.811 119.952 0.859 18492
5588 1 17 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.126 -0.052 18492
5589 1 17 . 1 1 23 23 GLU C C 5 179.511 179.511 178.744 0.767 18492
5590 1 17 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.528 0.939 18492
5591 1 17 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.066 2.347 18492
5592 1 17 . 1 1 23 23 GLU H H 5 7.887 7.887 8.082 -0.195 18492
5593 1 17 . 1 1 24 24 MET N N 6 117.260 117.260 120.552 -3.292 18492
5594 1 17 . 1 1 24 24 MET HA H 6 3.665 3.665 4.273 -0.608 18492
5595 1 17 . 1 1 24 24 MET C C 6 178.480 178.480 178.419 0.061 18492
5596 1 17 . 1 1 24 24 MET CA C 6 60.134 60.134 58.802 1.332 18492
5597 1 17 . 1 1 24 24 MET CB C 6 33.059 33.059 32.761 0.298 18492
5598 1 17 . 1 1 24 24 MET H H 6 8.607 8.607 8.452 0.155 18492
5599 1 17 . 1 1 25 25 GLY N N 7 106.564 106.564 106.603 -0.039 18492
5600 1 17 . 1 1 25 25 GLY C C 7 177.376 177.376 175.924 1.452 18492
5601 1 17 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.338 -0.006 18492
5602 1 17 . 1 1 25 25 GLY H H 7 8.494 8.494 8.082 0.412 18492
5603 1 17 . 1 1 26 26 THR N N 8 121.127 121.127 118.603 2.524 18492
5604 1 17 . 1 1 26 26 THR HA H 8 3.956 3.956 4.035 -0.079 18492
5605 1 17 . 1 1 26 26 THR C C 8 175.895 175.895 176.155 -0.260 18492
5606 1 17 . 1 1 26 26 THR CA C 8 66.737 66.737 66.227 0.510 18492
5607 1 17 . 1 1 26 26 THR CB C 8 67.623 67.623 68.399 -0.776 18492
5608 1 17 . 1 1 26 26 THR H H 8 8.242 8.242 7.755 0.487 18492
5609 1 17 . 1 1 27 27 ALA N N 9 125.226 125.226 124.856 0.370 18492
5610 1 17 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.023 -0.144 18492
5611 1 17 . 1 1 27 27 ALA C C 9 179.361 179.361 179.115 0.246 18492
5612 1 17 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.336 0.408 18492
5613 1 17 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.938 -0.249 18492
5614 1 17 . 1 1 27 27 ALA H H 9 8.605 8.605 8.218 0.387 18492
5615 1 17 . 1 1 28 28 LYS N N 10 116.449 116.449 119.194 -2.745 18492
5616 1 17 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.092 -0.198 18492
5617 1 17 . 1 1 28 28 LYS C C 10 179.264 179.264 178.784 0.480 18492
5618 1 17 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.244 2.010 18492
5619 1 17 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.379 -0.187 18492
5620 1 17 . 1 1 28 28 LYS H H 10 8.149 8.149 8.073 0.076 18492
5621 1 17 . 1 1 29 29 LYS N N 11 121.248 121.248 118.961 2.287 18492
5622 1 17 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.117 -0.090 18492
5623 1 17 . 1 1 29 29 LYS C C 11 179.168 179.168 179.081 0.087 18492
5624 1 17 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.728 0.882 18492
5625 1 17 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.914 0.195 18492
5626 1 17 . 1 1 29 29 LYS H H 11 7.747 7.747 7.748 -0.001 18492
5627 1 17 . 1 1 30 30 GLY N N 12 108.727 108.727 106.515 2.212 18492
5628 1 17 . 1 1 30 30 GLY C C 12 174.800 174.800 176.518 -1.718 18492
5629 1 17 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.114 1.905 18492
5630 1 17 . 1 1 30 30 GLY H H 12 8.838 8.838 7.801 1.037 18492
5631 1 17 . 1 1 31 31 LEU N N 13 124.189 124.189 122.243 1.946 18492
5632 1 17 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.328 -0.239 18492
5633 1 17 . 1 1 31 31 LEU C C 13 179.023 179.023 179.154 -0.131 18492
5634 1 17 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.478 1.001 18492
5635 1 17 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.943 0.612 18492
5636 1 17 . 1 1 31 31 LEU H H 13 8.520 8.520 7.905 0.615 18492
5637 1 17 . 1 1 32 32 LEU N N 14 119.512 119.512 120.991 -1.479 18492
5638 1 17 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.302 -0.344 18492
5639 1 17 . 1 1 32 32 LEU C C 14 178.844 178.844 179.073 -0.229 18492
5640 1 17 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.450 0.485 18492
5641 1 17 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.266 -0.601 18492
5642 1 17 . 1 1 32 32 LEU H H 14 7.322 7.322 8.187 -0.865 18492
5643 1 17 . 1 1 33 33 GLU N N 15 117.254 117.254 119.486 -2.232 18492
5644 1 17 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.195 -0.193 18492
5645 1 17 . 1 1 33 33 GLU C C 15 178.636 178.636 178.090 0.546 18492
5646 1 17 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.775 -0.098 18492
5647 1 17 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.595 0.828 18492
5648 1 17 . 1 1 33 33 GLU H H 15 7.940 7.940 8.109 -0.169 18492
5649 1 17 . 1 1 34 34 HIS N N 16 113.397 113.397 115.430 -2.033 18492
5650 1 17 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.549 0.217 18492
5651 1 17 . 1 1 34 34 HIS C C 16 176.465 176.465 175.659 0.806 18492
5652 1 17 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.859 -2.333 18492
5653 1 17 . 1 1 34 34 HIS CB C 16 32.394 32.394 32.717 -0.322 18492
5654 1 17 . 1 1 34 34 HIS H H 16 8.732 8.732 8.047 0.685 18492
5655 1 17 . 1 1 35 35 GLY N N 17 112.392 112.392 105.767 6.625 18492
5656 1 17 . 1 1 35 35 GLY C C 17 172.914 172.914 174.354 -1.440 18492
5657 1 17 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.199 1.532 18492
5658 1 17 . 1 1 35 35 GLY H H 17 7.475 7.475 7.868 -0.393 18492
5659 1 17 . 1 1 36 36 ARG N N 18 121.605 121.605 121.474 0.131 18492
5660 1 17 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.220 -0.535 18492
5661 1 17 . 1 1 36 36 ARG C C 18 174.673 174.673 175.051 -0.378 18492
5662 1 17 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.218 -0.542 18492
5663 1 17 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.016 -1.246 18492
5664 1 17 . 1 1 36 36 ARG H H 18 7.805 7.805 8.153 -0.348 18492
5665 1 17 . 1 1 37 37 ASN N N 19 118.725 118.725 119.023 -0.298 18492
5666 1 17 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.394 0.066 18492
5667 1 17 . 1 1 37 37 ASN C C 19 175.272 175.272 175.369 -0.097 18492
5668 1 17 . 1 1 37 37 ASN CA C 19 50.354 50.354 51.838 -1.484 18492
5669 1 17 . 1 1 37 37 ASN CB C 19 37.174 37.174 36.530 0.644 18492
5670 1 17 . 1 1 37 37 ASN H H 19 6.939 6.939 7.845 -0.906 18492
5671 1 17 . 1 1 38 38 TRP N N 20 123.054 123.054 125.350 -2.296 18492
5672 1 17 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.445 -0.033 18492
5673 1 17 . 1 1 38 38 TRP C C 20 177.950 177.950 178.326 -0.376 18492
5674 1 17 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.098 -0.296 18492
5675 1 17 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.119 1.481 18492
5676 1 17 . 1 1 38 38 TRP H H 20 7.064 7.064 7.942 -0.878 18492
5677 1 17 . 1 1 39 39 SER N N 21 112.959 112.959 115.927 -2.968 18492
5678 1 17 . 1 1 39 39 SER HA H 21 4.171 4.171 4.154 0.017 18492
5679 1 17 . 1 1 39 39 SER C C 21 176.653 176.653 176.477 0.176 18492
5680 1 17 . 1 1 39 39 SER CA C 21 61.632 61.632 61.753 -0.121 18492
5681 1 17 . 1 1 39 39 SER CB C 21 62.389 62.389 62.691 -0.302 18492
5682 1 17 . 1 1 39 39 SER H H 21 8.526 8.526 8.140 0.386 18492
5683 1 17 . 1 1 40 40 ALA N N 22 124.572 124.572 124.124 0.448 18492
5684 1 17 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.044 -0.235 18492
5685 1 17 . 1 1 40 40 ALA C C 22 180.307 180.307 179.752 0.555 18492
5686 1 17 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.823 -0.487 18492
5687 1 17 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.128 -1.308 18492
5688 1 17 . 1 1 40 40 ALA H H 22 7.130 7.130 7.918 -0.788 18492
5689 1 17 . 1 1 41 41 ILE N N 23 118.436 118.436 118.088 0.348 18492
5690 1 17 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.890 -0.305 18492
5691 1 17 . 1 1 41 41 ILE C C 23 177.684 177.684 177.624 0.060 18492
5692 1 17 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.628 4.243 18492
5693 1 17 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.698 1.754 18492
5694 1 17 . 1 1 41 41 ILE H H 23 7.750 7.750 7.625 0.125 18492
5695 1 17 . 1 1 42 42 ALA N N 24 122.987 122.987 122.113 0.874 18492
5696 1 17 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.145 -0.225 18492
5697 1 17 . 1 1 42 42 ALA C C 24 180.335 180.335 178.887 1.448 18492
5698 1 17 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.082 1.020 18492
5699 1 17 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.279 0.055 18492
5700 1 17 . 1 1 42 42 ALA H H 24 8.730 8.730 8.375 0.355 18492
5701 1 17 . 1 1 43 43 ARG N N 25 117.188 117.188 118.127 -0.939 18492
5702 1 17 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.134 -0.112 18492
5703 1 17 . 1 1 43 43 ARG C C 25 178.559 178.559 178.034 0.525 18492
5704 1 17 . 1 1 43 43 ARG CA C 25 59.066 59.066 59.344 -0.278 18492
5705 1 17 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.321 -0.367 18492
5706 1 17 . 1 1 43 43 ARG H H 25 7.511 7.511 7.777 -0.266 18492
5707 1 17 . 1 1 44 44 MET N N 26 117.388 117.388 118.512 -1.124 18492
5708 1 17 . 1 1 44 44 MET HA H 26 4.029 4.029 4.265 -0.236 18492
5709 1 17 . 1 1 44 44 MET C C 26 177.655 177.655 177.956 -0.301 18492
5710 1 17 . 1 1 44 44 MET CA C 26 58.926 58.926 58.731 0.195 18492
5711 1 17 . 1 1 44 44 MET CB C 26 34.267 34.267 33.120 1.147 18492
5712 1 17 . 1 1 44 44 MET H H 26 7.399 7.399 7.410 -0.011 18492
5713 1 17 . 1 1 45 45 VAL N N 27 119.232 119.232 114.607 4.625 18492
5714 1 17 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.134 -0.553 18492
5715 1 17 . 1 1 45 45 VAL C C 27 178.991 178.991 177.575 1.416 18492
5716 1 17 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.525 1.234 18492
5717 1 17 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.242 0.163 18492
5718 1 17 . 1 1 45 45 VAL H H 27 8.526 8.526 8.391 0.135 18492
5719 1 17 . 1 1 46 46 GLY N N 28 108.996 108.996 107.276 1.720 18492
5720 1 17 . 1 1 46 46 GLY C C 28 175.739 175.739 175.008 0.731 18492
5721 1 17 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.670 1.579 18492
5722 1 17 . 1 1 46 46 GLY H H 28 8.663 8.663 8.163 0.500 18492
5723 1 17 . 1 1 47 47 SER N N 29 112.827 112.827 112.925 -0.098 18492
5724 1 17 . 1 1 47 47 SER HA H 29 4.291 4.291 4.238 0.053 18492
5725 1 17 . 1 1 47 47 SER C C 29 173.701 173.701 174.086 -0.385 18492
5726 1 17 . 1 1 47 47 SER CA C 29 57.352 57.352 59.690 -2.338 18492
5727 1 17 . 1 1 47 47 SER CB C 29 62.198 62.198 61.779 0.419 18492
5728 1 17 . 1 1 47 47 SER H H 29 7.948 7.948 7.942 0.006 18492
5729 1 17 . 1 1 48 48 LYS N N 30 119.562 119.562 119.762 -0.200 18492
5730 1 17 . 1 1 48 48 LYS H H 30 6.655 6.655 7.654 -0.999 18492
5731 1 17 . 1 1 49 49 THR N N 31 111.264 111.264 115.761 -4.497 18492
5732 1 17 . 1 1 49 49 THR HA H 31 4.377 4.377 4.580 -0.203 18492
5733 1 17 . 1 1 49 49 THR C C 31 176.481 176.481 175.226 1.255 18492
5734 1 17 . 1 1 49 49 THR CA C 31 60.302 60.302 60.848 -0.546 18492
5735 1 17 . 1 1 49 49 THR CB C 31 72.012 72.012 71.398 0.614 18492
5736 1 17 . 1 1 49 49 THR H H 31 8.900 8.900 8.134 0.766 18492
5737 1 17 . 1 1 50 50 VAL N N 32 121.079 121.079 125.464 -4.385 18492
5738 1 17 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.877 -0.357 18492
5739 1 17 . 1 1 50 50 VAL C C 32 177.818 177.818 177.760 0.058 18492
5740 1 17 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.213 2.852 18492
5741 1 17 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.827 0.003 18492
5742 1 17 . 1 1 50 50 VAL H H 32 8.697 8.697 8.694 0.003 18492
5743 1 17 . 1 1 51 51 SER N N 33 113.769 113.769 114.399 -0.630 18492
5744 1 17 . 1 1 51 51 SER HA H 33 3.995 3.995 4.186 -0.191 18492
5745 1 17 . 1 1 51 51 SER C C 33 177.346 177.346 176.421 0.925 18492
5746 1 17 . 1 1 51 51 SER CA C 33 61.640 61.640 61.622 0.018 18492
5747 1 17 . 1 1 51 51 SER CB C 33 62.431 62.431 62.672 -0.241 18492
5748 1 17 . 1 1 51 51 SER H H 33 8.334 8.334 8.552 -0.218 18492
5749 1 17 . 1 1 52 52 GLN N N 34 120.084 120.084 118.970 1.114 18492
5750 1 17 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.246 0.057 18492
5751 1 17 . 1 1 52 52 GLN C C 34 180.343 180.343 178.256 2.087 18492
5752 1 17 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.526 0.756 18492
5753 1 17 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.195 1.367 18492
5754 1 17 . 1 1 52 52 GLN H H 34 7.781 7.781 7.936 -0.155 18492
5755 1 17 . 1 1 53 53 CYS N N 35 120.950 120.950 120.308 0.642 18492
5756 1 17 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.148 0.311 18492
5757 1 17 . 1 1 53 53 CYS C C 35 175.170 175.170 176.071 -0.901 18492
5758 1 17 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.595 4.987 18492
5759 1 17 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.088 0.026 18492
5760 1 17 . 1 1 53 53 CYS H H 35 8.748 8.748 7.863 0.885 18492
5761 1 17 . 1 1 54 54 LYS N N 36 120.488 120.488 120.523 -0.035 18492
5762 1 17 . 1 1 54 54 LYS HA H 36 2.225 2.225 2.467 -0.242 18492
5763 1 17 . 1 1 54 54 LYS C C 36 177.848 177.848 178.380 -0.532 18492
5764 1 17 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.638 0.823 18492
5765 1 17 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.777 0.157 18492
5766 1 17 . 1 1 54 54 LYS H H 36 7.790 7.790 7.539 0.251 18492
5767 1 17 . 1 1 55 55 ASN N N 37 116.085 116.085 117.558 -1.473 18492
5768 1 17 . 1 1 55 55 ASN HA H 37 4.424 4.424 3.769 0.655 18492
5769 1 17 . 1 1 55 55 ASN C C 37 177.149 177.149 176.610 0.539 18492
5770 1 17 . 1 1 55 55 ASN CA C 37 56.086 56.086 54.939 1.147 18492
5771 1 17 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.088 0.381 18492
5772 1 17 . 1 1 55 55 ASN H H 37 7.988 7.988 7.940 0.048 18492
5773 1 17 . 1 1 56 56 PHE N N 38 121.512 121.512 120.204 1.308 18492
5774 1 17 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.733 -0.153 18492
5775 1 17 . 1 1 56 56 PHE C C 38 175.968 175.968 176.847 -0.879 18492
5776 1 17 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.996 -0.339 18492
5777 1 17 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.328 0.533 18492
5778 1 17 . 1 1 56 56 PHE H H 38 8.117 8.117 7.556 0.561 18492
5779 1 17 . 1 1 57 57 TYR N N 39 114.465 114.465 118.606 -4.141 18492
5780 1 17 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.912 -0.245 18492
5781 1 17 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.269 0.579 18492
5782 1 17 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.693 0.028 18492
5783 1 17 . 1 1 57 57 TYR H H 39 7.723 7.723 7.449 0.274 18492
5784 1 17 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.271 -0.184 18492
5785 1 17 . 1 1 66 66 LEU C C 48 179.076 179.076 177.601 1.475 18492
5786 1 17 . 1 1 66 66 LEU CA C 48 57.264 57.264 56.648 0.616 18492
5787 1 17 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.469 -0.317 18492
5788 1 17 . 1 1 67 67 ASP N N 49 118.908 118.908 118.772 0.136 18492
5789 1 17 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.472 0.225 18492
5790 1 17 . 1 1 67 67 ASP C C 49 179.483 179.483 177.926 1.557 18492
5791 1 17 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.486 0.000 18492
5792 1 17 . 1 1 67 67 ASP CB C 49 39.078 39.078 41.034 -1.956 18492
5793 1 17 . 1 1 67 67 ASP H H 49 8.630 8.630 8.359 0.271 18492
5794 1 17 . 1 1 68 68 GLU N N 50 122.261 122.261 119.237 3.024 18492
5795 1 17 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.108 0.014 18492
5796 1 17 . 1 1 68 68 GLU C C 50 179.120 179.120 178.688 0.432 18492
5797 1 17 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.149 0.232 18492
5798 1 17 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.569 -0.386 18492
5799 1 17 . 1 1 68 68 GLU H H 50 7.906 7.906 7.682 0.224 18492
5800 1 17 . 1 1 69 69 ILE N N 51 120.582 120.582 120.270 0.312 18492
5801 1 17 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.863 -0.069 18492
5802 1 17 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.672 0.057 18492
5803 1 17 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.628 -0.165 18492
5804 1 17 . 1 1 69 69 ILE H H 51 7.296 7.296 7.538 -0.242 18492
5805 1 17 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.277 -0.189 18492
5806 1 17 . 1 1 70 70 LEU C C 52 180.091 180.091 179.501 0.590 18492
5807 1 17 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.463 0.388 18492
5808 1 17 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.703 0.463 18492
5809 1 17 . 1 1 71 71 GLN N N 53 121.069 121.069 119.395 1.674 18492
5810 1 17 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.029 0.151 18492
5811 1 17 . 1 1 71 71 GLN C C 53 178.551 178.551 178.324 0.227 18492
5812 1 17 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.776 0.025 18492
5813 1 17 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.137 -0.387 18492
5814 1 17 . 1 1 71 71 GLN H H 53 8.075 8.075 7.751 0.324 18492
5815 1 17 . 1 1 72 72 GLN N N 54 119.983 119.983 118.013 1.970 18492
5816 1 17 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.016 0.004 18492
5817 1 17 . 1 1 72 72 GLN C C 54 179.376 179.376 178.592 0.784 18492
5818 1 17 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.507 0.325 18492
5819 1 17 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.198 -0.121 18492
5820 1 17 . 1 1 72 72 GLN H H 54 7.900 7.900 8.291 -0.391 18492
5821 1 17 . 1 1 73 73 HIS N N 55 120.410 120.410 120.449 -0.039 18492
5822 1 17 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.190 0.124 18492
5823 1 17 . 1 1 73 73 HIS C C 55 176.222 176.222 177.305 -1.083 18492
5824 1 17 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.580 0.422 18492
5825 1 17 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.918 -1.755 18492
5826 1 17 . 1 1 73 73 HIS H H 55 8.637 8.637 8.094 0.543 18492
5827 1 17 . 1 1 74 74 LYS N N 56 120.014 120.014 119.291 0.723 18492
5828 1 17 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.933 -0.168 18492
5829 1 17 . 1 1 74 74 LYS C C 56 179.024 179.024 178.832 0.192 18492
5830 1 17 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.412 0.234 18492
5831 1 17 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.689 -0.494 18492
5832 1 17 . 1 1 74 74 LYS H H 56 7.944 7.944 7.599 0.345 18492
5833 1 17 . 1 1 75 75 LEU N N 57 119.352 119.352 116.538 2.814 18492
5834 1 17 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.189 -0.135 18492
5835 1 17 . 1 1 75 75 LEU C C 57 179.386 179.386 178.780 0.606 18492
5836 1 17 . 1 1 75 75 LEU CA C 57 57.646 57.646 58.100 -0.454 18492
5837 1 17 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.337 0.442 18492
5838 1 17 . 1 1 75 75 LEU H H 57 7.870 7.870 8.084 -0.214 18492
5839 1 17 . 1 1 76 76 LYS N N 58 121.054 121.054 119.650 1.404 18492
5840 1 17 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.905 0.063 18492
5841 1 17 . 1 1 76 76 LYS C C 58 178.872 178.872 179.029 -0.157 18492
5842 1 17 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.471 -0.165 18492
5843 1 17 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.145 0.108 18492
5844 1 17 . 1 1 76 76 LYS H H 58 7.943 7.943 7.698 0.245 18492
5845 1 17 . 1 1 77 77 MET N N 59 117.676 117.676 116.718 0.958 18492
5846 1 17 . 1 1 77 77 MET HA H 59 4.164 4.164 4.177 -0.013 18492
5847 1 17 . 1 1 77 77 MET C C 59 179.131 179.131 178.535 0.596 18492
5848 1 17 . 1 1 77 77 MET CA C 59 57.271 57.271 58.426 -1.155 18492
5849 1 17 . 1 1 77 77 MET CB C 59 31.676 31.676 32.417 -0.741 18492
5850 1 17 . 1 1 77 77 MET H H 59 7.910 7.910 7.808 0.102 18492
5851 1 17 . 1 1 78 78 GLU N N 60 120.695 120.695 120.735 -0.040 18492
5852 1 17 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.037 -0.037 18492
5853 1 17 . 1 1 78 78 GLU C C 60 178.407 178.407 178.628 -0.221 18492
5854 1 17 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.707 -0.429 18492
5855 1 17 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.887 -0.418 18492
5856 1 17 . 1 1 78 78 GLU H H 60 8.005 8.005 7.718 0.287 18492
5857 1 17 . 1 1 79 79 LYS N N 61 119.944 119.944 118.423 1.521 18492
5858 1 17 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.064 0.010 18492
5859 1 17 . 1 1 79 79 LYS C C 61 179.350 179.350 179.105 0.245 18492
5860 1 17 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.252 -0.200 18492
5861 1 17 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.351 -0.110 18492
5862 1 17 . 1 1 79 79 LYS H H 61 7.993 7.993 8.017 -0.024 18492
5863 1 17 . 1 1 80 80 GLU N N 62 119.421 119.421 118.528 0.893 18492
5864 1 17 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.079 -0.027 18492
5865 1 17 . 1 1 80 80 GLU C C 62 178.434 178.434 178.551 -0.117 18492
5866 1 17 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.821 -0.243 18492
5867 1 17 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.050 0.461 18492
5868 1 17 . 1 1 80 80 GLU H H 62 8.011 8.011 8.125 -0.114 18492
5869 1 17 . 1 1 81 81 ARG N N 63 120.087 120.087 120.787 -0.700 18492
5870 1 17 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.027 0.036 18492
5871 1 17 . 1 1 81 81 ARG C C 63 178.289 178.289 178.392 -0.103 18492
5872 1 17 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.153 -0.424 18492
5873 1 17 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.202 -0.218 18492
5874 1 17 . 1 1 81 81 ARG H H 63 8.038 8.038 7.675 0.363 18492
5875 1 17 . 1 1 82 82 ASN N N 64 117.835 117.835 117.690 0.145 18492
5876 1 17 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.429 0.097 18492
5877 1 17 . 1 1 82 82 ASN C C 64 176.397 176.397 177.040 -0.643 18492
5878 1 17 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.417 -1.742 18492
5879 1 17 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.394 0.101 18492
5880 1 17 . 1 1 82 82 ASN H H 64 8.176 8.176 8.037 0.139 18492
5881 1 17 . 1 1 83 83 ALA N N 65 122.797 122.797 122.358 0.439 18492
5882 1 17 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.151 0.053 18492
5883 1 17 . 1 1 83 83 ALA C C 65 178.776 178.776 179.456 -0.680 18492
5884 1 17 . 1 1 83 83 ALA CA C 65 53.758 53.758 55.057 -1.299 18492
5885 1 17 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.587 0.182 18492
5886 1 17 . 1 1 83 83 ALA H H 65 7.883 7.883 7.948 -0.065 18492
5887 1 17 . 1 1 84 84 ARG N N 66 118.042 118.042 116.946 1.096 18492
5888 1 17 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.142 0.071 18492
5889 1 17 . 1 1 84 84 ARG C C 66 177.040 177.040 178.144 -1.104 18492
5890 1 17 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.369 -1.299 18492
5891 1 17 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.184 0.201 18492
5892 1 17 . 1 1 84 84 ARG H H 66 7.855 7.855 7.808 0.047 18492
5893 1 17 . 1 1 85 85 ARG N N 67 120.431 120.431 117.689 2.742 18492
5894 1 17 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.467 -0.253 18492
5895 1 17 . 1 1 85 85 ARG C C 67 176.547 176.547 175.156 1.391 18492
5896 1 17 . 1 1 85 85 ARG CA C 67 56.886 56.886 54.646 2.240 18492
5897 1 17 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.841 0.484 18492
5898 1 17 . 1 1 85 85 ARG H H 67 7.873 7.873 7.719 0.154 18492
5899 1 17 . 1 1 86 86 LYS N N 68 121.690 121.690 117.743 3.947 18492
5900 1 17 . 1 1 86 86 LYS HA H 68 4.265 4.265 3.986 0.279 18492
5901 1 17 . 1 1 86 86 LYS C C 68 176.561 176.561 175.715 0.846 18492
5902 1 17 . 1 1 86 86 LYS CA C 68 56.926 56.926 57.566 -0.640 18492
5903 1 17 . 1 1 86 86 LYS CB C 68 32.886 32.886 30.683 2.203 18492
5904 1 17 . 1 1 86 86 LYS H H 68 8.040 8.040 7.620 0.420 18492
5905 1 17 . 1 1 87 87 LYS N N 69 122.486 122.486 120.164 2.322 18492
5906 1 17 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.378 -0.109 18492
5907 1 17 . 1 1 87 87 LYS C C 69 176.383 176.383 175.880 0.503 18492
5908 1 17 . 1 1 87 87 LYS CA C 69 56.500 56.500 55.449 1.051 18492
5909 1 17 . 1 1 87 87 LYS CB C 69 33.100 33.100 30.688 2.413 18492
5910 1 17 . 1 1 87 87 LYS H H 69 8.116 8.116 7.814 0.302 18492
5911 1 17 . 1 1 88 88 LYS N N 70 123.589 123.589 120.808 2.781 18492
5912 1 17 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.585 -0.338 18492
5913 1 17 . 1 1 88 88 LYS C C 70 175.618 175.618 174.672 0.946 18492
5914 1 17 . 1 1 88 88 LYS CA C 70 56.693 56.693 54.664 2.029 18492
5915 1 17 . 1 1 88 88 LYS CB C 70 33.089 33.089 34.017 -0.928 18492
5916 1 17 . 1 1 88 88 LYS H H 70 8.247 8.247 7.849 0.398 18492
5917 1 18 . 1 1 20 20 THR N N 2 114.872 114.872 118.105 -3.233 18492
5918 1 18 . 1 1 20 20 THR HA H 2 4.639 4.639 4.776 -0.137 18492
5919 1 18 . 1 1 20 20 THR C C 2 175.858 175.858 175.347 0.511 18492
5920 1 18 . 1 1 20 20 THR CA C 2 59.992 59.992 60.892 -0.900 18492
5921 1 18 . 1 1 20 20 THR CB C 2 71.359 71.359 70.919 0.440 18492
5922 1 18 . 1 1 20 20 THR H H 2 9.423 9.423 8.710 0.713 18492
5923 1 18 . 1 1 21 21 GLU N N 3 121.694 121.694 123.213 -1.519 18492
5924 1 18 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.928 0.091 18492
5925 1 18 . 1 1 21 21 GLU C C 3 179.808 179.808 178.135 1.673 18492
5926 1 18 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.553 0.689 18492
5927 1 18 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.291 0.042 18492
5928 1 18 . 1 1 21 21 GLU H H 3 9.120 9.120 8.916 0.204 18492
5929 1 18 . 1 1 22 22 GLU N N 4 120.617 120.617 118.548 2.069 18492
5930 1 18 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.128 -0.026 18492
5931 1 18 . 1 1 22 22 GLU C C 4 179.604 179.604 178.661 0.943 18492
5932 1 18 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.083 0.820 18492
5933 1 18 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.585 0.584 18492
5934 1 18 . 1 1 22 22 GLU H H 4 8.735 8.735 8.833 -0.098 18492
5935 1 18 . 1 1 23 23 GLU N N 5 120.811 120.811 119.720 1.091 18492
5936 1 18 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.294 -0.220 18492
5937 1 18 . 1 1 23 23 GLU C C 5 179.511 179.511 179.231 0.280 18492
5938 1 18 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.280 1.187 18492
5939 1 18 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.090 2.323 18492
5940 1 18 . 1 1 23 23 GLU H H 5 7.887 7.887 7.838 0.049 18492
5941 1 18 . 1 1 24 24 MET N N 6 117.260 117.260 118.823 -1.563 18492
5942 1 18 . 1 1 24 24 MET HA H 6 3.665 3.665 4.514 -0.849 18492
5943 1 18 . 1 1 24 24 MET C C 6 178.480 178.480 178.999 -0.519 18492
5944 1 18 . 1 1 24 24 MET CA C 6 60.134 60.134 58.603 1.531 18492
5945 1 18 . 1 1 24 24 MET CB C 6 33.059 33.059 32.345 0.714 18492
5946 1 18 . 1 1 24 24 MET H H 6 8.607 8.607 8.714 -0.107 18492
5947 1 18 . 1 1 25 25 GLY N N 7 106.564 106.564 107.658 -1.094 18492
5948 1 18 . 1 1 25 25 GLY C C 7 177.376 177.376 175.511 1.865 18492
5949 1 18 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.058 0.274 18492
5950 1 18 . 1 1 25 25 GLY H H 7 8.494 8.494 8.021 0.473 18492
5951 1 18 . 1 1 26 26 THR N N 8 121.127 121.127 118.978 2.149 18492
5952 1 18 . 1 1 26 26 THR HA H 8 3.956 3.956 4.016 -0.060 18492
5953 1 18 . 1 1 26 26 THR C C 8 175.895 175.895 176.121 -0.226 18492
5954 1 18 . 1 1 26 26 THR CA C 8 66.737 66.737 66.339 0.398 18492
5955 1 18 . 1 1 26 26 THR CB C 8 67.623 67.623 68.716 -1.093 18492
5956 1 18 . 1 1 26 26 THR H H 8 8.242 8.242 7.742 0.500 18492
5957 1 18 . 1 1 27 27 ALA N N 9 125.226 125.226 124.557 0.669 18492
5958 1 18 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.134 -0.255 18492
5959 1 18 . 1 1 27 27 ALA C C 9 179.361 179.361 178.997 0.364 18492
5960 1 18 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.541 0.203 18492
5961 1 18 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.287 -0.598 18492
5962 1 18 . 1 1 27 27 ALA H H 9 8.605 8.605 8.051 0.554 18492
5963 1 18 . 1 1 28 28 LYS N N 10 116.449 116.449 119.078 -2.629 18492
5964 1 18 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.084 -0.190 18492
5965 1 18 . 1 1 28 28 LYS C C 10 179.264 179.264 178.888 0.376 18492
5966 1 18 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.306 1.948 18492
5967 1 18 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.467 -0.275 18492
5968 1 18 . 1 1 28 28 LYS H H 10 8.149 8.149 8.060 0.089 18492
5969 1 18 . 1 1 29 29 LYS N N 11 121.248 121.248 118.503 2.745 18492
5970 1 18 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.152 -0.125 18492
5971 1 18 . 1 1 29 29 LYS C C 11 179.168 179.168 178.982 0.186 18492
5972 1 18 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.064 1.547 18492
5973 1 18 . 1 1 29 29 LYS CB C 11 32.109 32.109 32.049 0.060 18492
5974 1 18 . 1 1 29 29 LYS H H 11 7.747 7.747 7.850 -0.103 18492
5975 1 18 . 1 1 30 30 GLY N N 12 108.727 108.727 108.224 0.503 18492
5976 1 18 . 1 1 30 30 GLY C C 12 174.800 174.800 176.224 -1.424 18492
5977 1 18 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.191 1.828 18492
5978 1 18 . 1 1 30 30 GLY H H 12 8.838 8.838 8.016 0.822 18492
5979 1 18 . 1 1 31 31 LEU N N 13 124.189 124.189 122.185 2.004 18492
5980 1 18 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.201 -0.112 18492
5981 1 18 . 1 1 31 31 LEU C C 13 179.023 179.023 179.075 -0.052 18492
5982 1 18 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.742 0.737 18492
5983 1 18 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.667 0.888 18492
5984 1 18 . 1 1 31 31 LEU H H 13 8.520 8.520 8.194 0.326 18492
5985 1 18 . 1 1 32 32 LEU N N 14 119.512 119.512 119.644 -0.132 18492
5986 1 18 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.850 0.108 18492
5987 1 18 . 1 1 32 32 LEU C C 14 178.844 178.844 178.271 0.573 18492
5988 1 18 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.383 0.552 18492
5989 1 18 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.911 -0.246 18492
5990 1 18 . 1 1 32 32 LEU H H 14 7.322 7.322 7.788 -0.466 18492
5991 1 18 . 1 1 33 33 GLU N N 15 117.254 117.254 116.997 0.257 18492
5992 1 18 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.639 0.363 18492
5993 1 18 . 1 1 33 33 GLU C C 15 178.636 178.636 178.424 0.212 18492
5994 1 18 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.492 0.185 18492
5995 1 18 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.596 0.827 18492
5996 1 18 . 1 1 33 33 GLU H H 15 7.940 7.940 7.738 0.202 18492
5997 1 18 . 1 1 34 34 HIS N N 16 113.397 113.397 114.808 -1.411 18492
5998 1 18 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.465 0.301 18492
5999 1 18 . 1 1 34 34 HIS C C 16 176.465 176.465 176.300 0.165 18492
6000 1 18 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.129 -1.602 18492
6001 1 18 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.845 1.549 18492
6002 1 18 . 1 1 34 34 HIS H H 16 8.732 8.732 7.643 1.089 18492
6003 1 18 . 1 1 35 35 GLY N N 17 112.392 112.392 107.698 4.694 18492
6004 1 18 . 1 1 35 35 GLY C C 17 172.914 172.914 174.200 -1.286 18492
6005 1 18 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.540 1.191 18492
6006 1 18 . 1 1 35 35 GLY H H 17 7.475 7.475 7.565 -0.090 18492
6007 1 18 . 1 1 36 36 ARG N N 18 121.605 121.605 122.008 -0.403 18492
6008 1 18 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.805 -1.120 18492
6009 1 18 . 1 1 36 36 ARG C C 18 174.673 174.673 174.836 -0.163 18492
6010 1 18 . 1 1 36 36 ARG CA C 18 54.676 54.676 54.967 -0.291 18492
6011 1 18 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.317 -0.547 18492
6012 1 18 . 1 1 36 36 ARG H H 18 7.805 7.805 8.306 -0.501 18492
6013 1 18 . 1 1 37 37 ASN N N 19 118.725 118.725 120.540 -1.815 18492
6014 1 18 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.549 -0.089 18492
6015 1 18 . 1 1 37 37 ASN C C 19 175.272 175.272 175.548 -0.276 18492
6016 1 18 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.972 -2.618 18492
6017 1 18 . 1 1 37 37 ASN CB C 19 37.174 37.174 38.073 -0.899 18492
6018 1 18 . 1 1 37 37 ASN H H 19 6.939 6.939 7.655 -0.716 18492
6019 1 18 . 1 1 38 38 TRP N N 20 123.054 123.054 125.358 -2.304 18492
6020 1 18 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.222 0.190 18492
6021 1 18 . 1 1 38 38 TRP C C 20 177.950 177.950 177.879 0.071 18492
6022 1 18 . 1 1 38 38 TRP CA C 20 58.802 58.802 61.025 -2.223 18492
6023 1 18 . 1 1 38 38 TRP CB C 20 30.600 30.600 28.974 1.625 18492
6024 1 18 . 1 1 38 38 TRP H H 20 7.064 7.064 7.859 -0.795 18492
6025 1 18 . 1 1 39 39 SER N N 21 112.959 112.959 114.103 -1.144 18492
6026 1 18 . 1 1 39 39 SER HA H 21 4.171 4.171 4.163 0.008 18492
6027 1 18 . 1 1 39 39 SER C C 21 176.653 176.653 176.345 0.308 18492
6028 1 18 . 1 1 39 39 SER CA C 21 61.632 61.632 61.872 -0.240 18492
6029 1 18 . 1 1 39 39 SER CB C 21 62.389 62.389 62.251 0.139 18492
6030 1 18 . 1 1 39 39 SER H H 21 8.526 8.526 8.274 0.252 18492
6031 1 18 . 1 1 40 40 ALA N N 22 124.572 124.572 124.279 0.293 18492
6032 1 18 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.079 -0.270 18492
6033 1 18 . 1 1 40 40 ALA C C 22 180.307 180.307 179.928 0.379 18492
6034 1 18 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.842 -0.506 18492
6035 1 18 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.229 -1.409 18492
6036 1 18 . 1 1 40 40 ALA H H 22 7.130 7.130 7.649 -0.519 18492
6037 1 18 . 1 1 41 41 ILE N N 23 118.436 118.436 117.588 0.848 18492
6038 1 18 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.845 -0.260 18492
6039 1 18 . 1 1 41 41 ILE C C 23 177.684 177.684 177.790 -0.106 18492
6040 1 18 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.941 3.930 18492
6041 1 18 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.651 1.801 18492
6042 1 18 . 1 1 41 41 ILE H H 23 7.750 7.750 7.870 -0.120 18492
6043 1 18 . 1 1 42 42 ALA N N 24 122.987 122.987 122.181 0.806 18492
6044 1 18 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.171 -0.251 18492
6045 1 18 . 1 1 42 42 ALA C C 24 180.335 180.335 178.904 1.431 18492
6046 1 18 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.074 1.028 18492
6047 1 18 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.571 -0.237 18492
6048 1 18 . 1 1 42 42 ALA H H 24 8.730 8.730 8.229 0.501 18492
6049 1 18 . 1 1 43 43 ARG N N 25 117.188 117.188 117.866 -0.678 18492
6050 1 18 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.178 -0.156 18492
6051 1 18 . 1 1 43 43 ARG C C 25 178.559 178.559 178.208 0.351 18492
6052 1 18 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.659 0.407 18492
6053 1 18 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.318 -0.364 18492
6054 1 18 . 1 1 43 43 ARG H H 25 7.511 7.511 7.708 -0.197 18492
6055 1 18 . 1 1 44 44 MET N N 26 117.388 117.388 119.636 -2.248 18492
6056 1 18 . 1 1 44 44 MET HA H 26 4.029 4.029 4.257 -0.228 18492
6057 1 18 . 1 1 44 44 MET C C 26 177.655 177.655 177.673 -0.018 18492
6058 1 18 . 1 1 44 44 MET CA C 26 58.926 58.926 58.862 0.064 18492
6059 1 18 . 1 1 44 44 MET CB C 26 34.267 34.267 33.034 1.233 18492
6060 1 18 . 1 1 44 44 MET H H 26 7.399 7.399 7.760 -0.361 18492
6061 1 18 . 1 1 45 45 VAL N N 27 119.232 119.232 114.445 4.787 18492
6062 1 18 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.250 -0.669 18492
6063 1 18 . 1 1 45 45 VAL C C 27 178.991 178.991 178.242 0.749 18492
6064 1 18 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.128 1.631 18492
6065 1 18 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.050 0.355 18492
6066 1 18 . 1 1 45 45 VAL H H 27 8.526 8.526 8.095 0.431 18492
6067 1 18 . 1 1 46 46 GLY N N 28 108.996 108.996 108.376 0.620 18492
6068 1 18 . 1 1 46 46 GLY C C 28 175.739 175.739 174.840 0.899 18492
6069 1 18 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.979 1.271 18492
6070 1 18 . 1 1 46 46 GLY H H 28 8.663 8.663 7.845 0.818 18492
6071 1 18 . 1 1 47 47 SER N N 29 112.827 112.827 113.117 -0.290 18492
6072 1 18 . 1 1 47 47 SER HA H 29 4.291 4.291 4.139 0.152 18492
6073 1 18 . 1 1 47 47 SER C C 29 173.701 173.701 174.019 -0.318 18492
6074 1 18 . 1 1 47 47 SER CA C 29 57.352 57.352 59.564 -2.212 18492
6075 1 18 . 1 1 47 47 SER CB C 29 62.198 62.198 61.119 1.079 18492
6076 1 18 . 1 1 47 47 SER H H 29 7.948 7.948 7.774 0.174 18492
6077 1 18 . 1 1 48 48 LYS N N 30 119.562 119.562 121.614 -2.052 18492
6078 1 18 . 1 1 48 48 LYS H H 30 6.655 6.655 7.705 -1.050 18492
6079 1 18 . 1 1 49 49 THR N N 31 111.264 111.264 116.233 -4.969 18492
6080 1 18 . 1 1 49 49 THR HA H 31 4.377 4.377 4.634 -0.257 18492
6081 1 18 . 1 1 49 49 THR C C 31 176.481 176.481 175.677 0.804 18492
6082 1 18 . 1 1 49 49 THR CA C 31 60.302 60.302 61.090 -0.788 18492
6083 1 18 . 1 1 49 49 THR CB C 31 72.012 72.012 70.736 1.276 18492
6084 1 18 . 1 1 49 49 THR H H 31 8.900 8.900 8.444 0.456 18492
6085 1 18 . 1 1 50 50 VAL N N 32 121.079 121.079 126.880 -5.801 18492
6086 1 18 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.893 -0.373 18492
6087 1 18 . 1 1 50 50 VAL C C 32 177.818 177.818 177.345 0.473 18492
6088 1 18 . 1 1 50 50 VAL CA C 32 68.065 68.065 64.782 3.283 18492
6089 1 18 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.817 0.013 18492
6090 1 18 . 1 1 50 50 VAL H H 32 8.697 8.697 8.793 -0.097 18492
6091 1 18 . 1 1 51 51 SER N N 33 113.769 113.769 115.020 -1.251 18492
6092 1 18 . 1 1 51 51 SER HA H 33 3.995 3.995 4.124 -0.129 18492
6093 1 18 . 1 1 51 51 SER C C 33 177.346 177.346 176.142 1.204 18492
6094 1 18 . 1 1 51 51 SER CA C 33 61.640 61.640 60.934 0.706 18492
6095 1 18 . 1 1 51 51 SER CB C 33 62.431 62.431 62.578 -0.146 18492
6096 1 18 . 1 1 51 51 SER H H 33 8.334 8.334 8.401 -0.067 18492
6097 1 18 . 1 1 52 52 GLN N N 34 120.084 120.084 121.910 -1.826 18492
6098 1 18 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.219 0.084 18492
6099 1 18 . 1 1 52 52 GLN C C 34 180.343 180.343 177.927 2.416 18492
6100 1 18 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.273 0.009 18492
6101 1 18 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.899 0.663 18492
6102 1 18 . 1 1 52 52 GLN H H 34 7.781 7.781 7.719 0.062 18492
6103 1 18 . 1 1 53 53 CYS N N 35 120.950 120.950 116.921 4.029 18492
6104 1 18 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.582 -0.123 18492
6105 1 18 . 1 1 53 53 CYS C C 35 175.170 175.170 177.499 -2.329 18492
6106 1 18 . 1 1 53 53 CYS CA C 35 65.582 65.582 61.644 3.938 18492
6107 1 18 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.888 -0.774 18492
6108 1 18 . 1 1 53 53 CYS H H 35 8.748 8.748 8.108 0.640 18492
6109 1 18 . 1 1 54 54 LYS N N 36 120.488 120.488 121.996 -1.508 18492
6110 1 18 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.761 -1.536 18492
6111 1 18 . 1 1 54 54 LYS C C 36 177.848 177.848 179.099 -1.251 18492
6112 1 18 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.523 -0.062 18492
6113 1 18 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.824 0.110 18492
6114 1 18 . 1 1 54 54 LYS H H 36 7.790 7.790 7.641 0.149 18492
6115 1 18 . 1 1 55 55 ASN N N 37 116.085 116.085 116.636 -0.551 18492
6116 1 18 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.616 -0.192 18492
6117 1 18 . 1 1 55 55 ASN C C 37 177.149 177.149 177.252 -0.103 18492
6118 1 18 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.673 0.413 18492
6119 1 18 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.750 -0.281 18492
6120 1 18 . 1 1 55 55 ASN H H 37 7.988 7.988 8.092 -0.104 18492
6121 1 18 . 1 1 56 56 PHE N N 38 121.512 121.512 120.509 1.003 18492
6122 1 18 . 1 1 56 56 PHE HA H 38 3.580 3.580 4.288 -0.708 18492
6123 1 18 . 1 1 56 56 PHE C C 38 175.968 175.968 176.834 -0.866 18492
6124 1 18 . 1 1 56 56 PHE CA C 38 60.657 60.657 58.861 1.796 18492
6125 1 18 . 1 1 56 56 PHE CB C 38 38.861 38.861 39.344 -0.483 18492
6126 1 18 . 1 1 56 56 PHE H H 38 8.117 8.117 8.195 -0.078 18492
6127 1 18 . 1 1 57 57 TYR N N 39 114.465 114.465 121.598 -7.133 18492
6128 1 18 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.883 -0.216 18492
6129 1 18 . 1 1 57 57 TYR CA C 39 61.848 61.848 62.087 -0.238 18492
6130 1 18 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.482 0.238 18492
6131 1 18 . 1 1 57 57 TYR H H 39 7.723 7.723 7.891 -0.168 18492
6132 1 18 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.059 0.028 18492
6133 1 18 . 1 1 66 66 LEU C C 48 179.076 179.076 177.443 1.633 18492
6134 1 18 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.001 0.263 18492
6135 1 18 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.171 -0.019 18492
6136 1 18 . 1 1 67 67 ASP N N 49 118.908 118.908 119.568 -0.660 18492
6137 1 18 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.283 0.414 18492
6138 1 18 . 1 1 67 67 ASP C C 49 179.483 179.483 178.265 1.218 18492
6139 1 18 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.337 0.149 18492
6140 1 18 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.551 -1.473 18492
6141 1 18 . 1 1 67 67 ASP H H 49 8.630 8.630 8.480 0.150 18492
6142 1 18 . 1 1 68 68 GLU N N 50 122.261 122.261 119.615 2.646 18492
6143 1 18 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.111 0.011 18492
6144 1 18 . 1 1 68 68 GLU C C 50 179.120 179.120 178.654 0.466 18492
6145 1 18 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.982 0.399 18492
6146 1 18 . 1 1 68 68 GLU CB C 50 29.183 29.183 28.997 0.186 18492
6147 1 18 . 1 1 68 68 GLU H H 50 7.906 7.906 8.746 -0.840 18492
6148 1 18 . 1 1 69 69 ILE N N 51 120.582 120.582 119.908 0.674 18492
6149 1 18 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.783 0.011 18492
6150 1 18 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.564 0.165 18492
6151 1 18 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.604 -0.141 18492
6152 1 18 . 1 1 69 69 ILE H H 51 7.296 7.296 7.164 0.132 18492
6153 1 18 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.070 0.018 18492
6154 1 18 . 1 1 70 70 LEU C C 52 180.091 180.091 179.472 0.619 18492
6155 1 18 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.611 0.240 18492
6156 1 18 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.547 0.618 18492
6157 1 18 . 1 1 71 71 GLN N N 53 121.069 121.069 118.657 2.412 18492
6158 1 18 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.925 0.255 18492
6159 1 18 . 1 1 71 71 GLN C C 53 178.551 178.551 178.375 0.176 18492
6160 1 18 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.737 0.063 18492
6161 1 18 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.258 -0.507 18492
6162 1 18 . 1 1 71 71 GLN H H 53 8.075 8.075 8.077 -0.002 18492
6163 1 18 . 1 1 72 72 GLN N N 54 119.983 119.983 118.954 1.029 18492
6164 1 18 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.984 0.036 18492
6165 1 18 . 1 1 72 72 GLN C C 54 179.376 179.376 178.364 1.012 18492
6166 1 18 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.859 -0.028 18492
6167 1 18 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.313 -0.235 18492
6168 1 18 . 1 1 72 72 GLN H H 54 7.900 7.900 8.356 -0.456 18492
6169 1 18 . 1 1 73 73 HIS N N 55 120.410 120.410 120.057 0.353 18492
6170 1 18 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.170 0.144 18492
6171 1 18 . 1 1 73 73 HIS C C 55 176.222 176.222 177.388 -1.166 18492
6172 1 18 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.769 0.233 18492
6173 1 18 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.894 -1.731 18492
6174 1 18 . 1 1 73 73 HIS H H 55 8.637 8.637 7.910 0.727 18492
6175 1 18 . 1 1 74 74 LYS N N 56 120.014 120.014 119.330 0.684 18492
6176 1 18 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.936 -0.171 18492
6177 1 18 . 1 1 74 74 LYS C C 56 179.024 179.024 179.030 -0.006 18492
6178 1 18 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.587 0.059 18492
6179 1 18 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.521 -0.326 18492
6180 1 18 . 1 1 74 74 LYS H H 56 7.944 7.944 7.860 0.084 18492
6181 1 18 . 1 1 75 75 LEU N N 57 119.352 119.352 115.754 3.598 18492
6182 1 18 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.316 -0.262 18492
6183 1 18 . 1 1 75 75 LEU C C 57 179.386 179.386 178.735 0.651 18492
6184 1 18 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.669 -0.023 18492
6185 1 18 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.276 0.503 18492
6186 1 18 . 1 1 75 75 LEU H H 57 7.870 7.870 7.773 0.097 18492
6187 1 18 . 1 1 76 76 LYS N N 58 121.054 121.054 120.686 0.368 18492
6188 1 18 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.953 0.015 18492
6189 1 18 . 1 1 76 76 LYS C C 58 178.872 178.872 178.946 -0.074 18492
6190 1 18 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.369 -0.063 18492
6191 1 18 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.202 0.051 18492
6192 1 18 . 1 1 76 76 LYS H H 58 7.943 7.943 8.099 -0.156 18492
6193 1 18 . 1 1 77 77 MET N N 59 117.676 117.676 116.670 1.006 18492
6194 1 18 . 1 1 77 77 MET HA H 59 4.164 4.164 4.275 -0.111 18492
6195 1 18 . 1 1 77 77 MET C C 59 179.131 179.131 178.661 0.470 18492
6196 1 18 . 1 1 77 77 MET CA C 59 57.271 57.271 57.663 -0.392 18492
6197 1 18 . 1 1 77 77 MET CB C 59 31.676 31.676 31.977 -0.301 18492
6198 1 18 . 1 1 77 77 MET H H 59 7.910 7.910 7.544 0.366 18492
6199 1 18 . 1 1 78 78 GLU N N 60 120.695 120.695 119.873 0.822 18492
6200 1 18 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.055 -0.055 18492
6201 1 18 . 1 1 78 78 GLU C C 60 178.407 178.407 178.486 -0.079 18492
6202 1 18 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.329 -0.051 18492
6203 1 18 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.800 -0.331 18492
6204 1 18 . 1 1 78 78 GLU H H 60 8.005 8.005 7.790 0.215 18492
6205 1 18 . 1 1 79 79 LYS N N 61 119.944 119.944 118.865 1.079 18492
6206 1 18 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.009 0.065 18492
6207 1 18 . 1 1 79 79 LYS C C 61 179.350 179.350 179.001 0.349 18492
6208 1 18 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.324 -0.272 18492
6209 1 18 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.225 0.016 18492
6210 1 18 . 1 1 79 79 LYS H H 61 7.993 7.993 8.114 -0.121 18492
6211 1 18 . 1 1 80 80 GLU N N 62 119.421 119.421 118.774 0.647 18492
6212 1 18 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.050 0.002 18492
6213 1 18 . 1 1 80 80 GLU C C 62 178.434 178.434 178.470 -0.036 18492
6214 1 18 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.859 -0.281 18492
6215 1 18 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.007 0.504 18492
6216 1 18 . 1 1 80 80 GLU H H 62 8.011 8.011 8.092 -0.081 18492
6217 1 18 . 1 1 81 81 ARG N N 63 120.087 120.087 120.559 -0.472 18492
6218 1 18 . 1 1 81 81 ARG HA H 63 4.063 4.063 3.961 0.102 18492
6219 1 18 . 1 1 81 81 ARG C C 63 178.289 178.289 178.303 -0.014 18492
6220 1 18 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.189 -0.460 18492
6221 1 18 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.047 -0.063 18492
6222 1 18 . 1 1 81 81 ARG H H 63 8.038 8.038 7.549 0.489 18492
6223 1 18 . 1 1 82 82 ASN N N 64 117.835 117.835 117.029 0.806 18492
6224 1 18 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.490 0.036 18492
6225 1 18 . 1 1 82 82 ASN C C 64 176.397 176.397 177.841 -1.444 18492
6226 1 18 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.227 -1.552 18492
6227 1 18 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.512 -0.017 18492
6228 1 18 . 1 1 82 82 ASN H H 64 8.176 8.176 7.944 0.232 18492
6229 1 18 . 1 1 83 83 ALA N N 65 122.797 122.797 122.207 0.590 18492
6230 1 18 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.145 0.059 18492
6231 1 18 . 1 1 83 83 ALA C C 65 178.776 178.776 179.368 -0.592 18492
6232 1 18 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.656 -0.898 18492
6233 1 18 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.721 0.048 18492
6234 1 18 . 1 1 83 83 ALA H H 65 7.883 7.883 7.886 -0.003 18492
6235 1 18 . 1 1 84 84 ARG N N 66 118.042 118.042 114.764 3.278 18492
6236 1 18 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.333 -0.120 18492
6237 1 18 . 1 1 84 84 ARG C C 66 177.040 177.040 176.810 0.230 18492
6238 1 18 . 1 1 84 84 ARG CA C 66 57.070 57.070 56.878 0.192 18492
6239 1 18 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.656 -0.271 18492
6240 1 18 . 1 1 84 84 ARG H H 66 7.855 7.855 7.703 0.152 18492
6241 1 18 . 1 1 85 85 ARG N N 67 120.431 120.431 119.423 1.008 18492
6242 1 18 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.544 -0.330 18492
6243 1 18 . 1 1 85 85 ARG C C 67 176.547 176.547 175.914 0.633 18492
6244 1 18 . 1 1 85 85 ARG CA C 67 56.886 56.886 54.721 2.165 18492
6245 1 18 . 1 1 85 85 ARG CB C 67 30.325 30.325 29.736 0.589 18492
6246 1 18 . 1 1 85 85 ARG H H 67 7.873 7.873 7.459 0.414 18492
6247 1 18 . 1 1 86 86 LYS N N 68 121.690 121.690 120.420 1.270 18492
6248 1 18 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.369 -0.104 18492
6249 1 18 . 1 1 86 86 LYS C C 68 176.561 176.561 175.832 0.729 18492
6250 1 18 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.210 0.716 18492
6251 1 18 . 1 1 86 86 LYS CB C 68 32.886 32.886 32.248 0.638 18492
6252 1 18 . 1 1 86 86 LYS H H 68 8.040 8.040 7.868 0.172 18492
6253 1 18 . 1 1 87 87 LYS N N 69 122.486 122.486 116.929 5.557 18492
6254 1 18 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.010 0.259 18492
6255 1 18 . 1 1 87 87 LYS C C 69 176.383 176.383 175.906 0.477 18492
6256 1 18 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.734 -0.234 18492
6257 1 18 . 1 1 87 87 LYS CB C 69 33.100 33.100 30.698 2.402 18492
6258 1 18 . 1 1 87 87 LYS H H 69 8.116 8.116 8.124 -0.008 18492
6259 1 18 . 1 1 88 88 LYS N N 70 123.589 123.589 119.936 3.653 18492
6260 1 18 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.109 0.138 18492
6261 1 18 . 1 1 88 88 LYS C C 70 175.618 175.618 175.694 -0.076 18492
6262 1 18 . 1 1 88 88 LYS CA C 70 56.693 56.693 57.224 -0.531 18492
6263 1 18 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.874 0.215 18492
6264 1 18 . 1 1 88 88 LYS H H 70 8.247 8.247 8.204 0.043 18492
6265 1 19 . 1 1 20 20 THR N N 2 114.872 114.872 119.246 -4.374 18492
6266 1 19 . 1 1 20 20 THR HA H 2 4.639 4.639 4.559 0.080 18492
6267 1 19 . 1 1 20 20 THR C C 2 175.858 175.858 175.269 0.589 18492
6268 1 19 . 1 1 20 20 THR CA C 2 59.992 59.992 61.131 -1.139 18492
6269 1 19 . 1 1 20 20 THR CB C 2 71.359 71.359 70.351 1.008 18492
6270 1 19 . 1 1 20 20 THR H H 2 9.423 9.423 8.189 1.234 18492
6271 1 19 . 1 1 21 21 GLU N N 3 121.694 121.694 121.660 0.034 18492
6272 1 19 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.986 0.033 18492
6273 1 19 . 1 1 21 21 GLU C C 3 179.808 179.808 178.464 1.344 18492
6274 1 19 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.715 0.527 18492
6275 1 19 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.283 0.050 18492
6276 1 19 . 1 1 21 21 GLU H H 3 9.120 9.120 8.969 0.151 18492
6277 1 19 . 1 1 22 22 GLU N N 4 120.617 120.617 118.884 1.733 18492
6278 1 19 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.132 -0.030 18492
6279 1 19 . 1 1 22 22 GLU C C 4 179.604 179.604 179.053 0.551 18492
6280 1 19 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.319 0.584 18492
6281 1 19 . 1 1 22 22 GLU CB C 4 29.169 29.169 28.855 0.315 18492
6282 1 19 . 1 1 22 22 GLU H H 4 8.735 8.735 8.860 -0.125 18492
6283 1 19 . 1 1 23 23 GLU N N 5 120.811 120.811 118.431 2.380 18492
6284 1 19 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.309 -0.235 18492
6285 1 19 . 1 1 23 23 GLU C C 5 179.511 179.511 179.156 0.355 18492
6286 1 19 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.593 0.874 18492
6287 1 19 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.033 2.380 18492
6288 1 19 . 1 1 23 23 GLU H H 5 7.887 7.887 7.836 0.051 18492
6289 1 19 . 1 1 24 24 MET N N 6 117.260 117.260 119.601 -2.341 18492
6290 1 19 . 1 1 24 24 MET HA H 6 3.665 3.665 4.687 -1.022 18492
6291 1 19 . 1 1 24 24 MET C C 6 178.480 178.480 179.078 -0.598 18492
6292 1 19 . 1 1 24 24 MET CA C 6 60.134 60.134 58.532 1.602 18492
6293 1 19 . 1 1 24 24 MET CB C 6 33.059 33.059 31.728 1.331 18492
6294 1 19 . 1 1 24 24 MET H H 6 8.607 8.607 8.852 -0.245 18492
6295 1 19 . 1 1 25 25 GLY N N 7 106.564 106.564 106.096 0.468 18492
6296 1 19 . 1 1 25 25 GLY C C 7 177.376 177.376 176.017 1.359 18492
6297 1 19 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.200 0.132 18492
6298 1 19 . 1 1 25 25 GLY H H 7 8.494 8.494 8.129 0.365 18492
6299 1 19 . 1 1 26 26 THR N N 8 121.127 121.127 119.168 1.959 18492
6300 1 19 . 1 1 26 26 THR HA H 8 3.956 3.956 4.020 -0.064 18492
6301 1 19 . 1 1 26 26 THR C C 8 175.895 175.895 176.393 -0.498 18492
6302 1 19 . 1 1 26 26 THR CA C 8 66.737 66.737 66.298 0.439 18492
6303 1 19 . 1 1 26 26 THR CB C 8 67.623 67.623 68.838 -1.215 18492
6304 1 19 . 1 1 26 26 THR H H 8 8.242 8.242 7.862 0.380 18492
6305 1 19 . 1 1 27 27 ALA N N 9 125.226 125.226 124.090 1.136 18492
6306 1 19 . 1 1 27 27 ALA HA H 9 3.879 3.879 3.990 -0.111 18492
6307 1 19 . 1 1 27 27 ALA C C 9 179.361 179.361 178.741 0.620 18492
6308 1 19 . 1 1 27 27 ALA CA C 9 55.744 55.744 54.755 0.989 18492
6309 1 19 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.595 0.094 18492
6310 1 19 . 1 1 27 27 ALA H H 9 8.605 8.605 8.055 0.550 18492
6311 1 19 . 1 1 28 28 LYS N N 10 116.449 116.449 119.241 -2.792 18492
6312 1 19 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.119 -0.225 18492
6313 1 19 . 1 1 28 28 LYS C C 10 179.264 179.264 178.726 0.538 18492
6314 1 19 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.510 1.744 18492
6315 1 19 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.612 -0.420 18492
6316 1 19 . 1 1 28 28 LYS H H 10 8.149 8.149 8.149 -0.000 18492
6317 1 19 . 1 1 29 29 LYS N N 11 121.248 121.248 119.044 2.204 18492
6318 1 19 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.110 -0.083 18492
6319 1 19 . 1 1 29 29 LYS C C 11 179.168 179.168 178.759 0.409 18492
6320 1 19 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.513 1.098 18492
6321 1 19 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.875 0.234 18492
6322 1 19 . 1 1 29 29 LYS H H 11 7.747 7.747 7.952 -0.205 18492
6323 1 19 . 1 1 30 30 GLY N N 12 108.727 108.727 107.306 1.421 18492
6324 1 19 . 1 1 30 30 GLY C C 12 174.800 174.800 176.296 -1.496 18492
6325 1 19 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.076 1.943 18492
6326 1 19 . 1 1 30 30 GLY H H 12 8.838 8.838 7.830 1.008 18492
6327 1 19 . 1 1 31 31 LEU N N 13 124.189 124.189 122.140 2.049 18492
6328 1 19 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.323 -0.234 18492
6329 1 19 . 1 1 31 31 LEU C C 13 179.023 179.023 179.002 0.021 18492
6330 1 19 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.670 0.809 18492
6331 1 19 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.861 0.694 18492
6332 1 19 . 1 1 31 31 LEU H H 13 8.520 8.520 8.108 0.412 18492
6333 1 19 . 1 1 32 32 LEU N N 14 119.512 119.512 118.119 1.393 18492
6334 1 19 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.968 -0.010 18492
6335 1 19 . 1 1 32 32 LEU C C 14 178.844 178.844 176.339 2.505 18492
6336 1 19 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.057 0.878 18492
6337 1 19 . 1 1 32 32 LEU CB C 14 41.665 41.665 41.994 -0.329 18492
6338 1 19 . 1 1 32 32 LEU H H 14 7.322 7.322 7.525 -0.203 18492
6339 1 19 . 1 1 33 33 GLU N N 15 117.254 117.254 115.956 1.298 18492
6340 1 19 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.993 0.009 18492
6341 1 19 . 1 1 33 33 GLU C C 15 178.636 178.636 179.080 -0.444 18492
6342 1 19 . 1 1 33 33 GLU CA C 15 58.677 58.677 57.719 0.958 18492
6343 1 19 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.560 0.863 18492
6344 1 19 . 1 1 33 33 GLU H H 15 7.940 7.940 7.400 0.540 18492
6345 1 19 . 1 1 34 34 HIS N N 16 113.397 113.397 116.546 -3.149 18492
6346 1 19 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.410 0.356 18492
6347 1 19 . 1 1 34 34 HIS C C 16 176.465 176.465 176.560 -0.095 18492
6348 1 19 . 1 1 34 34 HIS CA C 16 55.527 55.527 58.013 -2.486 18492
6349 1 19 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.863 1.531 18492
6350 1 19 . 1 1 34 34 HIS H H 16 8.732 8.732 8.170 0.562 18492
6351 1 19 . 1 1 35 35 GLY N N 17 112.392 112.392 107.959 4.433 18492
6352 1 19 . 1 1 35 35 GLY C C 17 172.914 172.914 174.403 -1.489 18492
6353 1 19 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.570 1.161 18492
6354 1 19 . 1 1 35 35 GLY H H 17 7.475 7.475 7.761 -0.286 18492
6355 1 19 . 1 1 36 36 ARG N N 18 121.605 121.605 122.694 -1.089 18492
6356 1 19 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.797 -1.112 18492
6357 1 19 . 1 1 36 36 ARG C C 18 174.673 174.673 175.333 -0.660 18492
6358 1 19 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.271 -0.595 18492
6359 1 19 . 1 1 36 36 ARG CB C 18 27.770 27.770 29.463 -1.693 18492
6360 1 19 . 1 1 36 36 ARG H H 18 7.805 7.805 8.451 -0.646 18492
6361 1 19 . 1 1 37 37 ASN N N 19 118.725 118.725 120.230 -1.505 18492
6362 1 19 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.476 -0.016 18492
6363 1 19 . 1 1 37 37 ASN C C 19 175.272 175.272 176.110 -0.838 18492
6364 1 19 . 1 1 37 37 ASN CA C 19 50.354 50.354 53.769 -3.415 18492
6365 1 19 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.393 -0.219 18492
6366 1 19 . 1 1 37 37 ASN H H 19 6.939 6.939 7.972 -1.033 18492
6367 1 19 . 1 1 38 38 TRP N N 20 123.054 123.054 125.875 -2.821 18492
6368 1 19 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.473 -0.061 18492
6369 1 19 . 1 1 38 38 TRP C C 20 177.950 177.950 178.749 -0.799 18492
6370 1 19 . 1 1 38 38 TRP CA C 20 58.802 58.802 60.000 -1.198 18492
6371 1 19 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.250 1.350 18492
6372 1 19 . 1 1 38 38 TRP H H 20 7.064 7.064 8.435 -1.371 18492
6373 1 19 . 1 1 39 39 SER N N 21 112.959 112.959 114.697 -1.738 18492
6374 1 19 . 1 1 39 39 SER HA H 21 4.171 4.171 4.310 -0.139 18492
6375 1 19 . 1 1 39 39 SER C C 21 176.653 176.653 176.374 0.279 18492
6376 1 19 . 1 1 39 39 SER CA C 21 61.632 61.632 61.380 0.252 18492
6377 1 19 . 1 1 39 39 SER CB C 21 62.389 62.389 62.596 -0.207 18492
6378 1 19 . 1 1 39 39 SER H H 21 8.526 8.526 8.394 0.132 18492
6379 1 19 . 1 1 40 40 ALA N N 22 124.572 124.572 124.473 0.099 18492
6380 1 19 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.076 -0.267 18492
6381 1 19 . 1 1 40 40 ALA C C 22 180.307 180.307 179.938 0.369 18492
6382 1 19 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.855 -0.519 18492
6383 1 19 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.263 -1.443 18492
6384 1 19 . 1 1 40 40 ALA H H 22 7.130 7.130 7.496 -0.366 18492
6385 1 19 . 1 1 41 41 ILE N N 23 118.436 118.436 117.896 0.540 18492
6386 1 19 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.703 -0.118 18492
6387 1 19 . 1 1 41 41 ILE C C 23 177.684 177.684 177.688 -0.004 18492
6388 1 19 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.703 4.168 18492
6389 1 19 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.315 2.137 18492
6390 1 19 . 1 1 41 41 ILE H H 23 7.750 7.750 7.859 -0.109 18492
6391 1 19 . 1 1 42 42 ALA N N 24 122.987 122.987 123.072 -0.085 18492
6392 1 19 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.069 -0.149 18492
6393 1 19 . 1 1 42 42 ALA C C 24 180.335 180.335 179.069 1.266 18492
6394 1 19 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.294 0.808 18492
6395 1 19 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.512 -0.178 18492
6396 1 19 . 1 1 42 42 ALA H H 24 8.730 8.730 8.106 0.624 18492
6397 1 19 . 1 1 43 43 ARG N N 25 117.188 117.188 117.950 -0.762 18492
6398 1 19 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.082 -0.060 18492
6399 1 19 . 1 1 43 43 ARG C C 25 178.559 178.559 178.470 0.089 18492
6400 1 19 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.922 0.144 18492
6401 1 19 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.265 -0.311 18492
6402 1 19 . 1 1 43 43 ARG H H 25 7.511 7.511 7.657 -0.146 18492
6403 1 19 . 1 1 44 44 MET N N 26 117.388 117.388 119.463 -2.075 18492
6404 1 19 . 1 1 44 44 MET HA H 26 4.029 4.029 4.153 -0.124 18492
6405 1 19 . 1 1 44 44 MET C C 26 177.655 177.655 177.782 -0.127 18492
6406 1 19 . 1 1 44 44 MET CA C 26 58.926 58.926 58.726 0.200 18492
6407 1 19 . 1 1 44 44 MET CB C 26 34.267 34.267 32.834 1.433 18492
6408 1 19 . 1 1 44 44 MET H H 26 7.399 7.399 7.680 -0.281 18492
6409 1 19 . 1 1 45 45 VAL N N 27 119.232 119.232 114.480 4.752 18492
6410 1 19 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.262 -0.681 18492
6411 1 19 . 1 1 45 45 VAL C C 27 178.991 178.991 177.678 1.313 18492
6412 1 19 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.201 1.558 18492
6413 1 19 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.090 0.315 18492
6414 1 19 . 1 1 45 45 VAL H H 27 8.526 8.526 8.048 0.478 18492
6415 1 19 . 1 1 46 46 GLY N N 28 108.996 108.996 108.055 0.941 18492
6416 1 19 . 1 1 46 46 GLY C C 28 175.739 175.739 175.234 0.505 18492
6417 1 19 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.524 1.726 18492
6418 1 19 . 1 1 46 46 GLY H H 28 8.663 8.663 7.836 0.827 18492
6419 1 19 . 1 1 47 47 SER N N 29 112.827 112.827 113.616 -0.789 18492
6420 1 19 . 1 1 47 47 SER HA H 29 4.291 4.291 4.189 0.102 18492
6421 1 19 . 1 1 47 47 SER C C 29 173.701 173.701 174.193 -0.492 18492
6422 1 19 . 1 1 47 47 SER CA C 29 57.352 57.352 59.838 -2.486 18492
6423 1 19 . 1 1 47 47 SER CB C 29 62.198 62.198 61.973 0.225 18492
6424 1 19 . 1 1 47 47 SER H H 29 7.948 7.948 7.942 0.006 18492
6425 1 19 . 1 1 48 48 LYS N N 30 119.562 119.562 119.002 0.560 18492
6426 1 19 . 1 1 48 48 LYS H H 30 6.655 6.655 7.708 -1.053 18492
6427 1 19 . 1 1 49 49 THR N N 31 111.264 111.264 116.128 -4.864 18492
6428 1 19 . 1 1 49 49 THR HA H 31 4.377 4.377 4.675 -0.298 18492
6429 1 19 . 1 1 49 49 THR C C 31 176.481 176.481 174.667 1.814 18492
6430 1 19 . 1 1 49 49 THR CA C 31 60.302 60.302 61.388 -1.086 18492
6431 1 19 . 1 1 49 49 THR CB C 31 72.012 72.012 71.752 0.260 18492
6432 1 19 . 1 1 49 49 THR H H 31 8.900 8.900 8.010 0.890 18492
6433 1 19 . 1 1 50 50 VAL N N 32 121.079 121.079 125.648 -4.569 18492
6434 1 19 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.881 -0.361 18492
6435 1 19 . 1 1 50 50 VAL C C 32 177.818 177.818 177.999 -0.181 18492
6436 1 19 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.446 2.619 18492
6437 1 19 . 1 1 50 50 VAL CB C 32 31.830 31.830 32.091 -0.261 18492
6438 1 19 . 1 1 50 50 VAL H H 32 8.697 8.697 8.722 -0.025 18492
6439 1 19 . 1 1 51 51 SER N N 33 113.769 113.769 114.619 -0.850 18492
6440 1 19 . 1 1 51 51 SER HA H 33 3.995 3.995 4.093 -0.098 18492
6441 1 19 . 1 1 51 51 SER C C 33 177.346 177.346 176.624 0.722 18492
6442 1 19 . 1 1 51 51 SER CA C 33 61.640 61.640 61.364 0.276 18492
6443 1 19 . 1 1 51 51 SER CB C 33 62.431 62.431 62.646 -0.215 18492
6444 1 19 . 1 1 51 51 SER H H 33 8.334 8.334 8.378 -0.044 18492
6445 1 19 . 1 1 52 52 GLN N N 34 120.084 120.084 120.156 -0.072 18492
6446 1 19 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.314 -0.011 18492
6447 1 19 . 1 1 52 52 GLN C C 34 180.343 180.343 178.422 1.921 18492
6448 1 19 . 1 1 52 52 GLN CA C 34 59.282 59.282 59.356 -0.074 18492
6449 1 19 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.643 0.919 18492
6450 1 19 . 1 1 52 52 GLN H H 34 7.781 7.781 7.847 -0.066 18492
6451 1 19 . 1 1 53 53 CYS N N 35 120.950 120.950 116.590 4.360 18492
6452 1 19 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.470 -0.011 18492
6453 1 19 . 1 1 53 53 CYS C C 35 175.170 175.170 176.962 -1.792 18492
6454 1 19 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.666 4.916 18492
6455 1 19 . 1 1 53 53 CYS CB C 35 27.114 27.114 26.887 0.227 18492
6456 1 19 . 1 1 53 53 CYS H H 35 8.748 8.748 7.897 0.851 18492
6457 1 19 . 1 1 54 54 LYS N N 36 120.488 120.488 120.506 -0.018 18492
6458 1 19 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.863 -1.638 18492
6459 1 19 . 1 1 54 54 LYS C C 36 177.848 177.848 179.608 -1.760 18492
6460 1 19 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.239 0.222 18492
6461 1 19 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.974 -0.040 18492
6462 1 19 . 1 1 54 54 LYS H H 36 7.790 7.790 8.004 -0.214 18492
6463 1 19 . 1 1 55 55 ASN N N 37 116.085 116.085 118.181 -2.096 18492
6464 1 19 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.686 -0.262 18492
6465 1 19 . 1 1 55 55 ASN C C 37 177.149 177.149 177.387 -0.238 18492
6466 1 19 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.801 0.284 18492
6467 1 19 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.577 -0.108 18492
6468 1 19 . 1 1 55 55 ASN H H 37 7.988 7.988 8.291 -0.303 18492
6469 1 19 . 1 1 56 56 PHE N N 38 121.512 121.512 122.121 -0.609 18492
6470 1 19 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.557 0.023 18492
6471 1 19 . 1 1 56 56 PHE C C 38 175.968 175.968 175.706 0.262 18492
6472 1 19 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.920 -0.263 18492
6473 1 19 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.127 0.734 18492
6474 1 19 . 1 1 56 56 PHE H H 38 8.117 8.117 7.822 0.295 18492
6475 1 19 . 1 1 57 57 TYR N N 39 114.465 114.465 117.456 -2.991 18492
6476 1 19 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.459 0.208 18492
6477 1 19 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.083 0.765 18492
6478 1 19 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.758 -0.038 18492
6479 1 19 . 1 1 57 57 TYR H H 39 7.723 7.723 7.661 0.062 18492
6480 1 19 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.166 -0.079 18492
6481 1 19 . 1 1 66 66 LEU C C 48 179.076 179.076 177.777 1.299 18492
6482 1 19 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.229 0.035 18492
6483 1 19 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.618 -0.466 18492
6484 1 19 . 1 1 67 67 ASP N N 49 118.908 118.908 119.388 -0.480 18492
6485 1 19 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.324 0.373 18492
6486 1 19 . 1 1 67 67 ASP C C 49 179.483 179.483 178.382 1.101 18492
6487 1 19 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.998 -0.513 18492
6488 1 19 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.975 -1.897 18492
6489 1 19 . 1 1 67 67 ASP H H 49 8.630 8.630 7.934 0.696 18492
6490 1 19 . 1 1 68 68 GLU N N 50 122.261 122.261 119.452 2.809 18492
6491 1 19 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.129 -0.007 18492
6492 1 19 . 1 1 68 68 GLU C C 50 179.120 179.120 178.896 0.224 18492
6493 1 19 . 1 1 68 68 GLU CA C 50 59.381 59.381 59.011 0.370 18492
6494 1 19 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.583 -0.400 18492
6495 1 19 . 1 1 68 68 GLU H H 50 7.906 7.906 7.941 -0.035 18492
6496 1 19 . 1 1 69 69 ILE N N 51 120.582 120.582 121.076 -0.494 18492
6497 1 19 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.750 0.044 18492
6498 1 19 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.023 -0.294 18492
6499 1 19 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.718 -0.254 18492
6500 1 19 . 1 1 69 69 ILE H H 51 7.296 7.296 7.428 -0.132 18492
6501 1 19 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.189 -0.101 18492
6502 1 19 . 1 1 70 70 LEU C C 52 180.091 180.091 178.982 1.109 18492
6503 1 19 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.785 0.066 18492
6504 1 19 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.902 0.263 18492
6505 1 19 . 1 1 71 71 GLN N N 53 121.069 121.069 118.905 2.164 18492
6506 1 19 . 1 1 71 71 GLN HA H 53 4.180 4.180 3.985 0.195 18492
6507 1 19 . 1 1 71 71 GLN C C 53 178.551 178.551 178.198 0.353 18492
6508 1 19 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.617 0.183 18492
6509 1 19 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.146 -0.395 18492
6510 1 19 . 1 1 71 71 GLN H H 53 8.075 8.075 7.655 0.420 18492
6511 1 19 . 1 1 72 72 GLN N N 54 119.983 119.983 118.460 1.523 18492
6512 1 19 . 1 1 72 72 GLN HA H 54 4.020 4.020 3.997 0.023 18492
6513 1 19 . 1 1 72 72 GLN C C 54 179.376 179.376 178.500 0.876 18492
6514 1 19 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.554 0.278 18492
6515 1 19 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.099 -0.021 18492
6516 1 19 . 1 1 72 72 GLN H H 54 7.900 7.900 8.169 -0.269 18492
6517 1 19 . 1 1 73 73 HIS N N 55 120.410 120.410 120.235 0.175 18492
6518 1 19 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.166 0.148 18492
6519 1 19 . 1 1 73 73 HIS C C 55 176.222 176.222 177.212 -0.990 18492
6520 1 19 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.369 0.633 18492
6521 1 19 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.712 -1.549 18492
6522 1 19 . 1 1 73 73 HIS H H 55 8.637 8.637 8.329 0.308 18492
6523 1 19 . 1 1 74 74 LYS N N 56 120.014 120.014 119.504 0.510 18492
6524 1 19 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.759 0.006 18492
6525 1 19 . 1 1 74 74 LYS C C 56 179.024 179.024 178.744 0.280 18492
6526 1 19 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.591 0.055 18492
6527 1 19 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.458 -0.263 18492
6528 1 19 . 1 1 74 74 LYS H H 56 7.944 7.944 7.564 0.380 18492
6529 1 19 . 1 1 75 75 LEU N N 57 119.352 119.352 116.001 3.351 18492
6530 1 19 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.243 -0.189 18492
6531 1 19 . 1 1 75 75 LEU C C 57 179.386 179.386 179.022 0.364 18492
6532 1 19 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.679 -0.033 18492
6533 1 19 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.162 0.617 18492
6534 1 19 . 1 1 75 75 LEU H H 57 7.870 7.870 7.893 -0.023 18492
6535 1 19 . 1 1 76 76 LYS N N 58 121.054 121.054 120.150 0.904 18492
6536 1 19 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.921 0.047 18492
6537 1 19 . 1 1 76 76 LYS C C 58 178.872 178.872 179.014 -0.142 18492
6538 1 19 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.642 -0.336 18492
6539 1 19 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.176 0.077 18492
6540 1 19 . 1 1 76 76 LYS H H 58 7.943 7.943 8.202 -0.259 18492
6541 1 19 . 1 1 77 77 MET N N 59 117.676 117.676 118.795 -1.119 18492
6542 1 19 . 1 1 77 77 MET HA H 59 4.164 4.164 4.442 -0.278 18492
6543 1 19 . 1 1 77 77 MET C C 59 179.131 179.131 178.376 0.755 18492
6544 1 19 . 1 1 77 77 MET CA C 59 57.271 57.271 58.245 -0.974 18492
6545 1 19 . 1 1 77 77 MET CB C 59 31.676 31.676 32.739 -1.063 18492
6546 1 19 . 1 1 77 77 MET H H 59 7.910 7.910 7.550 0.360 18492
6547 1 19 . 1 1 78 78 GLU N N 60 120.695 120.695 120.572 0.123 18492
6548 1 19 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.954 0.046 18492
6549 1 19 . 1 1 78 78 GLU C C 60 178.407 178.407 178.563 -0.156 18492
6550 1 19 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.969 -0.691 18492
6551 1 19 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.665 -0.196 18492
6552 1 19 . 1 1 78 78 GLU H H 60 8.005 8.005 8.176 -0.171 18492
6553 1 19 . 1 1 79 79 LYS N N 61 119.944 119.944 117.870 2.074 18492
6554 1 19 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.039 0.035 18492
6555 1 19 . 1 1 79 79 LYS C C 61 179.350 179.350 178.980 0.370 18492
6556 1 19 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.145 -0.093 18492
6557 1 19 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.223 0.018 18492
6558 1 19 . 1 1 79 79 LYS H H 61 7.993 7.993 8.025 -0.032 18492
6559 1 19 . 1 1 80 80 GLU N N 62 119.421 119.421 119.639 -0.218 18492
6560 1 19 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.075 -0.023 18492
6561 1 19 . 1 1 80 80 GLU C C 62 178.434 178.434 178.907 -0.473 18492
6562 1 19 . 1 1 80 80 GLU CA C 62 58.578 58.578 59.044 -0.466 18492
6563 1 19 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.051 0.460 18492
6564 1 19 . 1 1 80 80 GLU H H 62 8.011 8.011 7.800 0.211 18492
6565 1 19 . 1 1 81 81 ARG N N 63 120.087 120.087 119.290 0.797 18492
6566 1 19 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.054 0.009 18492
6567 1 19 . 1 1 81 81 ARG C C 63 178.289 178.289 178.940 -0.651 18492
6568 1 19 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.067 -0.338 18492
6569 1 19 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.105 -0.121 18492
6570 1 19 . 1 1 81 81 ARG H H 63 8.038 8.038 7.925 0.113 18492
6571 1 19 . 1 1 82 82 ASN N N 64 117.835 117.835 118.299 -0.464 18492
6572 1 19 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.503 0.023 18492
6573 1 19 . 1 1 82 82 ASN C C 64 176.397 176.397 176.466 -0.069 18492
6574 1 19 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.740 -1.065 18492
6575 1 19 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.486 0.009 18492
6576 1 19 . 1 1 82 82 ASN H H 64 8.176 8.176 7.919 0.257 18492
6577 1 19 . 1 1 83 83 ALA N N 65 122.797 122.797 122.357 0.440 18492
6578 1 19 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.147 0.057 18492
6579 1 19 . 1 1 83 83 ALA C C 65 178.776 178.776 179.473 -0.697 18492
6580 1 19 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.286 -0.528 18492
6581 1 19 . 1 1 83 83 ALA CB C 65 18.769 18.769 19.385 -0.616 18492
6582 1 19 . 1 1 83 83 ALA H H 65 7.883 7.883 7.566 0.317 18492
6583 1 19 . 1 1 84 84 ARG N N 66 118.042 118.042 117.310 0.732 18492
6584 1 19 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.163 0.050 18492
6585 1 19 . 1 1 84 84 ARG C C 66 177.040 177.040 177.769 -0.729 18492
6586 1 19 . 1 1 84 84 ARG CA C 66 57.070 57.070 58.268 -1.198 18492
6587 1 19 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.349 0.035 18492
6588 1 19 . 1 1 84 84 ARG H H 66 7.855 7.855 8.219 -0.364 18492
6589 1 19 . 1 1 85 85 ARG N N 67 120.431 120.431 117.239 3.192 18492
6590 1 19 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.530 -0.316 18492
6591 1 19 . 1 1 85 85 ARG C C 67 176.547 176.547 175.895 0.652 18492
6592 1 19 . 1 1 85 85 ARG CA C 67 56.886 56.886 54.550 2.336 18492
6593 1 19 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.211 0.114 18492
6594 1 19 . 1 1 85 85 ARG H H 67 7.873 7.873 7.701 0.172 18492
6595 1 19 . 1 1 86 86 LYS N N 68 121.690 121.690 122.527 -0.837 18492
6596 1 19 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.301 -0.036 18492
6597 1 19 . 1 1 86 86 LYS C C 68 176.561 176.561 176.042 0.519 18492
6598 1 19 . 1 1 86 86 LYS CA C 68 56.926 56.926 55.518 1.408 18492
6599 1 19 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.057 1.829 18492
6600 1 19 . 1 1 86 86 LYS H H 68 8.040 8.040 7.347 0.693 18492
6601 1 19 . 1 1 87 87 LYS N N 69 122.486 122.486 120.818 1.668 18492
6602 1 19 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.389 -0.120 18492
6603 1 19 . 1 1 87 87 LYS C C 69 176.383 176.383 175.475 0.908 18492
6604 1 19 . 1 1 87 87 LYS CA C 69 56.500 56.500 55.968 0.532 18492
6605 1 19 . 1 1 87 87 LYS CB C 69 33.100 33.100 32.000 1.100 18492
6606 1 19 . 1 1 87 87 LYS H H 69 8.116 8.116 7.683 0.433 18492
6607 1 19 . 1 1 88 88 LYS N N 70 123.589 123.589 121.813 1.776 18492
6608 1 19 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.366 -0.119 18492
6609 1 19 . 1 1 88 88 LYS C C 70 175.618 175.618 175.612 0.006 18492
6610 1 19 . 1 1 88 88 LYS CA C 70 56.693 56.693 55.937 0.756 18492
6611 1 19 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.725 0.364 18492
6612 1 19 . 1 1 88 88 LYS H H 70 8.247 8.247 7.780 0.467 18492
6613 1 20 . 1 1 20 20 THR N N 2 114.872 114.872 118.816 -3.944 18492
6614 1 20 . 1 1 20 20 THR HA H 2 4.639 4.639 4.629 0.010 18492
6615 1 20 . 1 1 20 20 THR C C 2 175.858 175.858 175.227 0.631 18492
6616 1 20 . 1 1 20 20 THR CA C 2 59.992 59.992 61.173 -1.181 18492
6617 1 20 . 1 1 20 20 THR CB C 2 71.359 71.359 70.973 0.386 18492
6618 1 20 . 1 1 20 20 THR H H 2 9.423 9.423 8.166 1.257 18492
6619 1 20 . 1 1 21 21 GLU N N 3 121.694 121.694 122.742 -1.048 18492
6620 1 20 . 1 1 21 21 GLU HA H 3 4.019 4.019 3.967 0.052 18492
6621 1 20 . 1 1 21 21 GLU C C 3 179.808 179.808 178.743 1.065 18492
6622 1 20 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.756 0.486 18492
6623 1 20 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.431 -0.098 18492
6624 1 20 . 1 1 21 21 GLU H H 3 9.120 9.120 8.962 0.158 18492
6625 1 20 . 1 1 22 22 GLU N N 4 120.617 120.617 118.407 2.210 18492
6626 1 20 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.118 -0.016 18492
6627 1 20 . 1 1 22 22 GLU C C 4 179.604 179.604 178.834 0.770 18492
6628 1 20 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.118 0.785 18492
6629 1 20 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.335 -0.166 18492
6630 1 20 . 1 1 22 22 GLU H H 4 8.735 8.735 8.710 0.025 18492
6631 1 20 . 1 1 23 23 GLU N N 5 120.811 120.811 119.443 1.368 18492
6632 1 20 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.171 -0.097 18492
6633 1 20 . 1 1 23 23 GLU C C 5 179.511 179.511 178.928 0.583 18492
6634 1 20 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.277 1.190 18492
6635 1 20 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.210 2.203 18492
6636 1 20 . 1 1 23 23 GLU H H 5 7.887 7.887 7.869 0.018 18492
6637 1 20 . 1 1 24 24 MET N N 6 117.260 117.260 120.173 -2.913 18492
6638 1 20 . 1 1 24 24 MET HA H 6 3.665 3.665 4.561 -0.896 18492
6639 1 20 . 1 1 24 24 MET C C 6 178.480 178.480 178.435 0.045 18492
6640 1 20 . 1 1 24 24 MET CA C 6 60.134 60.134 58.441 1.693 18492
6641 1 20 . 1 1 24 24 MET CB C 6 33.059 33.059 32.849 0.210 18492
6642 1 20 . 1 1 24 24 MET H H 6 8.607 8.607 8.672 -0.065 18492
6643 1 20 . 1 1 25 25 GLY N N 7 106.564 106.564 106.367 0.197 18492
6644 1 20 . 1 1 25 25 GLY C C 7 177.376 177.376 175.624 1.752 18492
6645 1 20 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.280 0.052 18492
6646 1 20 . 1 1 25 25 GLY H H 7 8.494 8.494 8.107 0.387 18492
6647 1 20 . 1 1 26 26 THR N N 8 121.127 121.127 118.483 2.644 18492
6648 1 20 . 1 1 26 26 THR HA H 8 3.956 3.956 4.095 -0.139 18492
6649 1 20 . 1 1 26 26 THR C C 8 175.895 175.895 176.129 -0.234 18492
6650 1 20 . 1 1 26 26 THR CA C 8 66.737 66.737 66.434 0.303 18492
6651 1 20 . 1 1 26 26 THR CB C 8 67.623 67.623 68.463 -0.840 18492
6652 1 20 . 1 1 26 26 THR H H 8 8.242 8.242 7.699 0.543 18492
6653 1 20 . 1 1 27 27 ALA N N 9 125.226 125.226 124.681 0.545 18492
6654 1 20 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.204 -0.325 18492
6655 1 20 . 1 1 27 27 ALA C C 9 179.361 179.361 178.892 0.469 18492
6656 1 20 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.065 0.679 18492
6657 1 20 . 1 1 27 27 ALA CB C 9 17.689 17.689 18.305 -0.616 18492
6658 1 20 . 1 1 27 27 ALA H H 9 8.605 8.605 8.083 0.522 18492
6659 1 20 . 1 1 28 28 LYS N N 10 116.449 116.449 119.419 -2.970 18492
6660 1 20 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.086 -0.192 18492
6661 1 20 . 1 1 28 28 LYS C C 10 179.264 179.264 178.771 0.493 18492
6662 1 20 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.741 1.513 18492
6663 1 20 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.552 -0.360 18492
6664 1 20 . 1 1 28 28 LYS H H 10 8.149 8.149 8.091 0.058 18492
6665 1 20 . 1 1 29 29 LYS N N 11 121.248 121.248 118.782 2.466 18492
6666 1 20 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.169 -0.142 18492
6667 1 20 . 1 1 29 29 LYS C C 11 179.168 179.168 179.116 0.052 18492
6668 1 20 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.390 1.221 18492
6669 1 20 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.990 0.119 18492
6670 1 20 . 1 1 29 29 LYS H H 11 7.747 7.747 7.939 -0.192 18492
6671 1 20 . 1 1 30 30 GLY N N 12 108.727 108.727 108.024 0.703 18492
6672 1 20 . 1 1 30 30 GLY C C 12 174.800 174.800 176.211 -1.411 18492
6673 1 20 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.285 1.734 18492
6674 1 20 . 1 1 30 30 GLY H H 12 8.838 8.838 7.933 0.905 18492
6675 1 20 . 1 1 31 31 LEU N N 13 124.189 124.189 121.975 2.214 18492
6676 1 20 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.013 0.076 18492
6677 1 20 . 1 1 31 31 LEU C C 13 179.023 179.023 179.021 0.002 18492
6678 1 20 . 1 1 31 31 LEU CA C 13 57.479 57.479 57.018 0.461 18492
6679 1 20 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.899 0.656 18492
6680 1 20 . 1 1 31 31 LEU H H 13 8.520 8.520 8.084 0.436 18492
6681 1 20 . 1 1 32 32 LEU N N 14 119.512 119.512 120.651 -1.139 18492
6682 1 20 . 1 1 32 32 LEU HA H 14 3.958 3.958 4.012 -0.054 18492
6683 1 20 . 1 1 32 32 LEU C C 14 178.844 178.844 178.402 0.442 18492
6684 1 20 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.516 0.419 18492
6685 1 20 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.335 -0.670 18492
6686 1 20 . 1 1 32 32 LEU H H 14 7.322 7.322 7.833 -0.511 18492
6687 1 20 . 1 1 33 33 GLU N N 15 117.254 117.254 118.027 -0.773 18492
6688 1 20 . 1 1 33 33 GLU HA H 15 4.002 4.002 4.093 -0.091 18492
6689 1 20 . 1 1 33 33 GLU C C 15 178.636 178.636 178.470 0.166 18492
6690 1 20 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.562 0.115 18492
6691 1 20 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.537 0.886 18492
6692 1 20 . 1 1 33 33 GLU H H 15 7.940 7.940 7.986 -0.046 18492
6693 1 20 . 1 1 34 34 HIS N N 16 113.397 113.397 113.864 -0.467 18492
6694 1 20 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.669 0.097 18492
6695 1 20 . 1 1 34 34 HIS C C 16 176.465 176.465 175.541 0.924 18492
6696 1 20 . 1 1 34 34 HIS CA C 16 55.527 55.527 56.539 -1.012 18492
6697 1 20 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.594 1.800 18492
6698 1 20 . 1 1 34 34 HIS H H 16 8.732 8.732 8.084 0.648 18492
6699 1 20 . 1 1 35 35 GLY N N 17 112.392 112.392 107.696 4.696 18492
6700 1 20 . 1 1 35 35 GLY C C 17 172.914 172.914 173.934 -1.020 18492
6701 1 20 . 1 1 35 35 GLY CA C 17 45.731 45.731 45.072 0.659 18492
6702 1 20 . 1 1 35 35 GLY H H 17 7.475 7.475 7.516 -0.041 18492
6703 1 20 . 1 1 36 36 ARG N N 18 121.605 121.605 113.466 8.139 18492
6704 1 20 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.168 -0.483 18492
6705 1 20 . 1 1 36 36 ARG C C 18 174.673 174.673 174.316 0.357 18492
6706 1 20 . 1 1 36 36 ARG CA C 18 54.676 54.676 56.513 -1.837 18492
6707 1 20 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.111 -0.341 18492
6708 1 20 . 1 1 36 36 ARG H H 18 7.805 7.805 7.756 0.049 18492
6709 1 20 . 1 1 37 37 ASN N N 19 118.725 118.725 118.557 0.168 18492
6710 1 20 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.361 0.099 18492
6711 1 20 . 1 1 37 37 ASN C C 19 175.272 175.272 175.985 -0.713 18492
6712 1 20 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.054 -1.700 18492
6713 1 20 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.606 -0.432 18492
6714 1 20 . 1 1 37 37 ASN H H 19 6.939 6.939 7.360 -0.421 18492
6715 1 20 . 1 1 38 38 TRP N N 20 123.054 123.054 126.351 -3.297 18492
6716 1 20 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.338 0.074 18492
6717 1 20 . 1 1 38 38 TRP C C 20 177.950 177.950 177.722 0.228 18492
6718 1 20 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.648 -0.846 18492
6719 1 20 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.171 1.429 18492
6720 1 20 . 1 1 38 38 TRP H H 20 7.064 7.064 7.910 -0.846 18492
6721 1 20 . 1 1 39 39 SER N N 21 112.959 112.959 115.299 -2.340 18492
6722 1 20 . 1 1 39 39 SER HA H 21 4.171 4.171 4.161 0.010 18492
6723 1 20 . 1 1 39 39 SER C C 21 176.653 176.653 176.437 0.216 18492
6724 1 20 . 1 1 39 39 SER CA C 21 61.632 61.632 61.655 -0.023 18492
6725 1 20 . 1 1 39 39 SER CB C 21 62.389 62.389 62.209 0.180 18492
6726 1 20 . 1 1 39 39 SER H H 21 8.526 8.526 8.203 0.323 18492
6727 1 20 . 1 1 40 40 ALA N N 22 124.572 124.572 123.863 0.709 18492
6728 1 20 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.068 -0.259 18492
6729 1 20 . 1 1 40 40 ALA C C 22 180.307 180.307 179.552 0.755 18492
6730 1 20 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.622 -0.286 18492
6731 1 20 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.136 -1.316 18492
6732 1 20 . 1 1 40 40 ALA H H 22 7.130 7.130 7.601 -0.471 18492
6733 1 20 . 1 1 41 41 ILE N N 23 118.436 118.436 118.855 -0.419 18492
6734 1 20 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.727 -0.142 18492
6735 1 20 . 1 1 41 41 ILE C C 23 177.684 177.684 177.824 -0.140 18492
6736 1 20 . 1 1 41 41 ILE CA C 23 65.871 65.871 62.495 3.377 18492
6737 1 20 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.723 1.729 18492
6738 1 20 . 1 1 41 41 ILE H H 23 7.750 7.750 7.747 0.003 18492
6739 1 20 . 1 1 42 42 ALA N N 24 122.987 122.987 121.377 1.610 18492
6740 1 20 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.111 -0.191 18492
6741 1 20 . 1 1 42 42 ALA C C 24 180.335 180.335 179.233 1.102 18492
6742 1 20 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.365 0.737 18492
6743 1 20 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.350 -0.016 18492
6744 1 20 . 1 1 42 42 ALA H H 24 8.730 8.730 8.265 0.465 18492
6745 1 20 . 1 1 43 43 ARG N N 25 117.188 117.188 118.863 -1.675 18492
6746 1 20 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.204 -0.182 18492
6747 1 20 . 1 1 43 43 ARG C C 25 178.559 178.559 178.307 0.252 18492
6748 1 20 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.556 0.510 18492
6749 1 20 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.052 -0.098 18492
6750 1 20 . 1 1 43 43 ARG H H 25 7.511 7.511 7.655 -0.144 18492
6751 1 20 . 1 1 44 44 MET N N 26 117.388 117.388 119.321 -1.933 18492
6752 1 20 . 1 1 44 44 MET HA H 26 4.029 4.029 4.290 -0.261 18492
6753 1 20 . 1 1 44 44 MET C C 26 177.655 177.655 177.890 -0.235 18492
6754 1 20 . 1 1 44 44 MET CA C 26 58.926 58.926 58.754 0.172 18492
6755 1 20 . 1 1 44 44 MET CB C 26 34.267 34.267 33.081 1.186 18492
6756 1 20 . 1 1 44 44 MET H H 26 7.399 7.399 7.646 -0.247 18492
6757 1 20 . 1 1 45 45 VAL N N 27 119.232 119.232 114.780 4.452 18492
6758 1 20 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.274 -0.693 18492
6759 1 20 . 1 1 45 45 VAL C C 27 178.991 178.991 177.306 1.685 18492
6760 1 20 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.114 1.645 18492
6761 1 20 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.150 0.255 18492
6762 1 20 . 1 1 45 45 VAL H H 27 8.526 8.526 8.300 0.226 18492
6763 1 20 . 1 1 46 46 GLY N N 28 108.996 108.996 107.835 1.161 18492
6764 1 20 . 1 1 46 46 GLY C C 28 175.739 175.739 174.837 0.902 18492
6765 1 20 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.226 2.024 18492
6766 1 20 . 1 1 46 46 GLY H H 28 8.663 8.663 7.731 0.932 18492
6767 1 20 . 1 1 47 47 SER N N 29 112.827 112.827 113.385 -0.558 18492
6768 1 20 . 1 1 47 47 SER HA H 29 4.291 4.291 4.257 0.034 18492
6769 1 20 . 1 1 47 47 SER C C 29 173.701 173.701 173.779 -0.078 18492
6770 1 20 . 1 1 47 47 SER CA C 29 57.352 57.352 59.083 -1.731 18492
6771 1 20 . 1 1 47 47 SER CB C 29 62.198 62.198 62.051 0.147 18492
6772 1 20 . 1 1 47 47 SER H H 29 7.948 7.948 7.808 0.140 18492
6773 1 20 . 1 1 48 48 LYS N N 30 119.562 119.562 119.207 0.355 18492
6774 1 20 . 1 1 48 48 LYS H H 30 6.655 6.655 8.058 -1.403 18492
6775 1 20 . 1 1 49 49 THR N N 31 111.264 111.264 117.046 -5.782 18492
6776 1 20 . 1 1 49 49 THR HA H 31 4.377 4.377 4.260 0.117 18492
6777 1 20 . 1 1 49 49 THR C C 31 176.481 176.481 176.624 -0.143 18492
6778 1 20 . 1 1 49 49 THR CA C 31 60.302 60.302 63.569 -3.267 18492
6779 1 20 . 1 1 49 49 THR CB C 31 72.012 72.012 69.195 2.817 18492
6780 1 20 . 1 1 49 49 THR H H 31 8.900 8.900 8.114 0.786 18492
6781 1 20 . 1 1 50 50 VAL N N 32 121.079 121.079 126.058 -4.979 18492
6782 1 20 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.708 -0.188 18492
6783 1 20 . 1 1 50 50 VAL C C 32 177.818 177.818 177.887 -0.069 18492
6784 1 20 . 1 1 50 50 VAL CA C 32 68.065 68.065 66.268 1.797 18492
6785 1 20 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.659 0.171 18492
6786 1 20 . 1 1 50 50 VAL H H 32 8.697 8.697 8.649 0.048 18492
6787 1 20 . 1 1 51 51 SER N N 33 113.769 113.769 114.456 -0.687 18492
6788 1 20 . 1 1 51 51 SER HA H 33 3.995 3.995 4.043 -0.048 18492
6789 1 20 . 1 1 51 51 SER C C 33 177.346 177.346 176.831 0.515 18492
6790 1 20 . 1 1 51 51 SER CA C 33 61.640 61.640 61.266 0.374 18492
6791 1 20 . 1 1 51 51 SER CB C 33 62.431 62.431 62.591 -0.160 18492
6792 1 20 . 1 1 51 51 SER H H 33 8.334 8.334 8.202 0.132 18492
6793 1 20 . 1 1 52 52 GLN N N 34 120.084 120.084 120.926 -0.842 18492
6794 1 20 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.181 0.122 18492
6795 1 20 . 1 1 52 52 GLN C C 34 180.343 180.343 178.106 2.237 18492
6796 1 20 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.821 0.461 18492
6797 1 20 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.487 1.075 18492
6798 1 20 . 1 1 52 52 GLN H H 34 7.781 7.781 7.978 -0.197 18492
6799 1 20 . 1 1 53 53 CYS N N 35 120.950 120.950 117.288 3.662 18492
6800 1 20 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.419 0.040 18492
6801 1 20 . 1 1 53 53 CYS C C 35 175.170 175.170 176.513 -1.343 18492
6802 1 20 . 1 1 53 53 CYS CA C 35 65.582 65.582 59.789 5.793 18492
6803 1 20 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.146 -0.032 18492
6804 1 20 . 1 1 53 53 CYS H H 35 8.748 8.748 7.783 0.965 18492
6805 1 20 . 1 1 54 54 LYS N N 36 120.488 120.488 121.213 -0.725 18492
6806 1 20 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.400 -1.175 18492
6807 1 20 . 1 1 54 54 LYS C C 36 177.848 177.848 178.780 -0.932 18492
6808 1 20 . 1 1 54 54 LYS CA C 36 59.461 59.461 58.988 0.473 18492
6809 1 20 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.838 0.096 18492
6810 1 20 . 1 1 54 54 LYS H H 36 7.790 7.790 8.049 -0.259 18492
6811 1 20 . 1 1 55 55 ASN N N 37 116.085 116.085 116.573 -0.488 18492
6812 1 20 . 1 1 55 55 ASN HA H 37 4.424 4.424 3.966 0.458 18492
6813 1 20 . 1 1 55 55 ASN C C 37 177.149 177.149 177.284 -0.135 18492
6814 1 20 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.815 0.271 18492
6815 1 20 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.431 0.038 18492
6816 1 20 . 1 1 55 55 ASN H H 37 7.988 7.988 7.808 0.180 18492
6817 1 20 . 1 1 56 56 PHE N N 38 121.512 121.512 121.575 -0.063 18492
6818 1 20 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.823 -0.243 18492
6819 1 20 . 1 1 56 56 PHE C C 38 175.968 175.968 176.946 -0.978 18492
6820 1 20 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.146 0.511 18492
6821 1 20 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.142 0.719 18492
6822 1 20 . 1 1 56 56 PHE H H 38 8.117 8.117 7.408 0.709 18492
6823 1 20 . 1 1 57 57 TYR N N 39 114.465 114.465 119.109 -4.644 18492
6824 1 20 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.837 -0.170 18492
6825 1 20 . 1 1 57 57 TYR CA C 39 61.848 61.848 61.001 0.847 18492
6826 1 20 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.657 0.063 18492
6827 1 20 . 1 1 57 57 TYR H H 39 7.723 7.723 7.564 0.159 18492
6828 1 20 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.165 -0.078 18492
6829 1 20 . 1 1 66 66 LEU C C 48 179.076 179.076 177.712 1.364 18492
6830 1 20 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.469 -0.206 18492
6831 1 20 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.495 -0.343 18492
6832 1 20 . 1 1 67 67 ASP N N 49 118.908 118.908 119.168 -0.260 18492
6833 1 20 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.310 0.387 18492
6834 1 20 . 1 1 67 67 ASP C C 49 179.483 179.483 178.075 1.408 18492
6835 1 20 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.922 -0.436 18492
6836 1 20 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.935 -1.857 18492
6837 1 20 . 1 1 67 67 ASP H H 49 8.630 8.630 7.692 0.938 18492
6838 1 20 . 1 1 68 68 GLU N N 50 122.261 122.261 119.272 2.989 18492
6839 1 20 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.142 -0.020 18492
6840 1 20 . 1 1 68 68 GLU C C 50 179.120 179.120 178.998 0.122 18492
6841 1 20 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.756 0.625 18492
6842 1 20 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.650 -0.467 18492
6843 1 20 . 1 1 68 68 GLU H H 50 7.906 7.906 7.598 0.308 18492
6844 1 20 . 1 1 69 69 ILE N N 51 120.582 120.582 120.619 -0.037 18492
6845 1 20 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.814 -0.020 18492
6846 1 20 . 1 1 69 69 ILE CA C 51 64.729 64.729 64.923 -0.194 18492
6847 1 20 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.864 -0.401 18492
6848 1 20 . 1 1 69 69 ILE H H 51 7.296 7.296 7.482 -0.186 18492
6849 1 20 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.253 -0.165 18492
6850 1 20 . 1 1 70 70 LEU C C 52 180.091 180.091 179.270 0.821 18492
6851 1 20 . 1 1 70 70 LEU CA C 52 57.851 57.851 56.572 1.279 18492
6852 1 20 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.670 0.495 18492
6853 1 20 . 1 1 71 71 GLN N N 53 121.069 121.069 119.782 1.287 18492
6854 1 20 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.044 0.136 18492
6855 1 20 . 1 1 71 71 GLN C C 53 178.551 178.551 178.204 0.347 18492
6856 1 20 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.728 0.073 18492
6857 1 20 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.190 -0.439 18492
6858 1 20 . 1 1 71 71 GLN H H 53 8.075 8.075 7.855 0.220 18492
6859 1 20 . 1 1 72 72 GLN N N 54 119.983 119.983 117.789 2.194 18492
6860 1 20 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.058 -0.038 18492
6861 1 20 . 1 1 72 72 GLN C C 54 179.376 179.376 178.658 0.718 18492
6862 1 20 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.214 0.618 18492
6863 1 20 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.030 0.048 18492
6864 1 20 . 1 1 72 72 GLN H H 54 7.900 7.900 8.084 -0.184 18492
6865 1 20 . 1 1 73 73 HIS N N 55 120.410 120.410 119.505 0.905 18492
6866 1 20 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.244 0.070 18492
6867 1 20 . 1 1 73 73 HIS C C 55 176.222 176.222 176.841 -0.619 18492
6868 1 20 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.212 0.790 18492
6869 1 20 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.848 -1.685 18492
6870 1 20 . 1 1 73 73 HIS H H 55 8.637 8.637 7.661 0.976 18492
6871 1 20 . 1 1 74 74 LYS N N 56 120.014 120.014 117.374 2.640 18492
6872 1 20 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.997 -0.232 18492
6873 1 20 . 1 1 74 74 LYS C C 56 179.024 179.024 178.685 0.339 18492
6874 1 20 . 1 1 74 74 LYS CA C 56 59.646 59.646 58.503 1.143 18492
6875 1 20 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.707 -0.512 18492
6876 1 20 . 1 1 74 74 LYS H H 56 7.944 7.944 7.517 0.427 18492
6877 1 20 . 1 1 75 75 LEU N N 57 119.352 119.352 117.314 2.038 18492
6878 1 20 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.266 -0.212 18492
6879 1 20 . 1 1 75 75 LEU C C 57 179.386 179.386 178.583 0.803 18492
6880 1 20 . 1 1 75 75 LEU CA C 57 57.646 57.646 58.257 -0.611 18492
6881 1 20 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.276 0.503 18492
6882 1 20 . 1 1 75 75 LEU H H 57 7.870 7.870 8.021 -0.151 18492
6883 1 20 . 1 1 76 76 LYS N N 58 121.054 121.054 118.302 2.752 18492
6884 1 20 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.967 0.001 18492
6885 1 20 . 1 1 76 76 LYS C C 58 178.872 178.872 179.090 -0.218 18492
6886 1 20 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.044 0.262 18492
6887 1 20 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.010 0.243 18492
6888 1 20 . 1 1 76 76 LYS H H 58 7.943 7.943 7.856 0.087 18492
6889 1 20 . 1 1 77 77 MET N N 59 117.676 117.676 119.550 -1.874 18492
6890 1 20 . 1 1 77 77 MET HA H 59 4.164 4.164 4.278 -0.114 18492
6891 1 20 . 1 1 77 77 MET C C 59 179.131 179.131 177.323 1.808 18492
6892 1 20 . 1 1 77 77 MET CA C 59 57.271 57.271 58.450 -1.179 18492
6893 1 20 . 1 1 77 77 MET CB C 59 31.676 31.676 32.961 -1.285 18492
6894 1 20 . 1 1 77 77 MET H H 59 7.910 7.910 7.524 0.386 18492
6895 1 20 . 1 1 78 78 GLU N N 60 120.695 120.695 118.414 2.281 18492
6896 1 20 . 1 1 78 78 GLU HA H 60 4.000 4.000 4.078 -0.078 18492
6897 1 20 . 1 1 78 78 GLU C C 60 178.407 178.407 178.755 -0.348 18492
6898 1 20 . 1 1 78 78 GLU CA C 60 59.278 59.278 58.638 0.640 18492
6899 1 20 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.593 -0.124 18492
6900 1 20 . 1 1 78 78 GLU H H 60 8.005 8.005 7.773 0.232 18492
6901 1 20 . 1 1 79 79 LYS N N 61 119.944 119.944 120.411 -0.467 18492
6902 1 20 . 1 1 79 79 LYS HA H 61 4.074 4.074 3.997 0.077 18492
6903 1 20 . 1 1 79 79 LYS C C 61 179.350 179.350 178.595 0.755 18492
6904 1 20 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.907 -0.856 18492
6905 1 20 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.629 -0.388 18492
6906 1 20 . 1 1 79 79 LYS H H 61 7.993 7.993 8.383 -0.390 18492
6907 1 20 . 1 1 80 80 GLU N N 62 119.421 119.421 117.769 1.652 18492
6908 1 20 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.037 0.015 18492
6909 1 20 . 1 1 80 80 GLU C C 62 178.434 178.434 178.795 -0.361 18492
6910 1 20 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.977 -0.399 18492
6911 1 20 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.030 0.481 18492
6912 1 20 . 1 1 80 80 GLU H H 62 8.011 8.011 8.121 -0.110 18492
6913 1 20 . 1 1 81 81 ARG N N 63 120.087 120.087 119.984 0.103 18492
6914 1 20 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.025 0.038 18492
6915 1 20 . 1 1 81 81 ARG C C 63 178.289 178.289 178.444 -0.155 18492
6916 1 20 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.203 -0.474 18492
6917 1 20 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.165 -0.181 18492
6918 1 20 . 1 1 81 81 ARG H H 63 8.038 8.038 7.594 0.444 18492
6919 1 20 . 1 1 82 82 ASN N N 64 117.835 117.835 117.572 0.263 18492
6920 1 20 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.538 -0.012 18492
6921 1 20 . 1 1 82 82 ASN C C 64 176.397 176.397 177.617 -1.220 18492
6922 1 20 . 1 1 82 82 ASN CA C 64 54.675 54.675 56.083 -1.408 18492
6923 1 20 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.662 -0.167 18492
6924 1 20 . 1 1 82 82 ASN H H 64 8.176 8.176 8.063 0.113 18492
6925 1 20 . 1 1 83 83 ALA N N 65 122.797 122.797 122.666 0.131 18492
6926 1 20 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.133 0.071 18492
6927 1 20 . 1 1 83 83 ALA C C 65 178.776 178.776 179.756 -0.980 18492
6928 1 20 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.879 -1.121 18492
6929 1 20 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.635 0.134 18492
6930 1 20 . 1 1 83 83 ALA H H 65 7.883 7.883 7.759 0.124 18492
6931 1 20 . 1 1 84 84 ARG N N 66 118.042 118.042 117.271 0.771 18492
6932 1 20 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.214 -0.001 18492
6933 1 20 . 1 1 84 84 ARG C C 66 177.040 177.040 177.905 -0.865 18492
6934 1 20 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.948 -0.878 18492
6935 1 20 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.366 0.019 18492
6936 1 20 . 1 1 84 84 ARG H H 66 7.855 7.855 8.063 -0.208 18492
6937 1 20 . 1 1 85 85 ARG N N 67 120.431 120.431 119.118 1.313 18492
6938 1 20 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.453 -0.239 18492
6939 1 20 . 1 1 85 85 ARG C C 67 176.547 176.547 175.403 1.144 18492
6940 1 20 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.422 1.464 18492
6941 1 20 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.073 0.252 18492
6942 1 20 . 1 1 85 85 ARG H H 67 7.873 7.873 7.691 0.182 18492
6943 1 20 . 1 1 86 86 LYS N N 68 121.690 121.690 121.637 0.053 18492
6944 1 20 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.196 0.069 18492
6945 1 20 . 1 1 86 86 LYS C C 68 176.561 176.561 176.422 0.139 18492
6946 1 20 . 1 1 86 86 LYS CA C 68 56.926 56.926 57.347 -0.422 18492
6947 1 20 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.684 1.202 18492
6948 1 20 . 1 1 86 86 LYS H H 68 8.040 8.040 7.670 0.370 18492
6949 1 20 . 1 1 87 87 LYS N N 69 122.486 122.486 123.931 -1.445 18492
6950 1 20 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.346 -0.077 18492
6951 1 20 . 1 1 87 87 LYS C C 69 176.383 176.383 175.459 0.924 18492
6952 1 20 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.279 0.221 18492
6953 1 20 . 1 1 87 87 LYS CB C 69 33.100 33.100 33.344 -0.245 18492
6954 1 20 . 1 1 87 87 LYS H H 69 8.116 8.116 8.148 -0.032 18492
6955 1 20 . 1 1 88 88 LYS N N 70 123.589 123.589 121.535 2.054 18492
6956 1 20 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.601 -0.354 18492
6957 1 20 . 1 1 88 88 LYS C C 70 175.618 175.618 175.638 -0.020 18492
6958 1 20 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.017 0.676 18492
6959 1 20 . 1 1 88 88 LYS CB C 70 33.089 33.089 32.894 0.195 18492
6960 1 20 . 1 1 88 88 LYS H H 70 8.247 8.247 7.930 0.317 18492
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 59 2.261 -0.079 2.280 18492
2 1 1 "Average Difference" HA 64 0.307 0.108 0.290 18492
3 1 1 "Average Difference" C 58 0.787 -0.234 0.758 18492
4 1 1 "Average Difference" CA 60 1.251 -0.357 1.209 18492
5 1 1 "Average Difference" CB 56 0.951 -0.175 0.943 18492
6 1 1 "Average Difference" HN 59 0.436 -0.067 0.434 18492
7 1 2 "Average Difference" N 59 2.186 -0.200 2.196 18492
8 1 2 "Average Difference" HA 64 0.337 0.101 0.324 18492
9 1 2 "Average Difference" C 58 0.790 -0.238 0.760 18492
10 1 2 "Average Difference" CA 60 1.351 -0.360 1.313 18492
11 1 2 "Average Difference" CB 56 0.887 -0.099 0.889 18492
12 1 2 "Average Difference" HN 59 0.483 -0.108 0.474 18492
13 1 3 "Average Difference" N 59 2.090 -0.095 2.106 18492
14 1 3 "Average Difference" HA 64 0.286 0.103 0.269 18492
15 1 3 "Average Difference" C 58 0.896 -0.208 0.879 18492
16 1 3 "Average Difference" CA 60 1.305 -0.369 1.262 18492
17 1 3 "Average Difference" CB 56 0.778 -0.064 0.782 18492
18 1 3 "Average Difference" HN 59 0.432 -0.105 0.423 18492
19 1 4 "Average Difference" N 59 1.971 -0.157 1.982 18492
20 1 4 "Average Difference" HA 64 0.347 0.124 0.326 18492
21 1 4 "Average Difference" C 58 0.833 -0.146 0.827 18492
22 1 4 "Average Difference" CA 60 1.323 -0.229 1.314 18492
23 1 4 "Average Difference" CB 56 0.788 -0.121 0.785 18492
24 1 4 "Average Difference" HN 59 0.448 -0.069 0.447 18492
25 1 5 "Average Difference" N 59 2.272 -0.258 2.277 18492
26 1 5 "Average Difference" HA 64 0.281 0.076 0.273 18492
27 1 5 "Average Difference" C 58 0.816 -0.177 0.803 18492
28 1 5 "Average Difference" CA 60 1.307 -0.168 1.307 18492
29 1 5 "Average Difference" CB 56 0.958 -0.217 0.942 18492
30 1 5 "Average Difference" HN 59 0.500 -0.082 0.497 18492
31 1 6 "Average Difference" N 59 2.223 -0.187 2.234 18492
32 1 6 "Average Difference" HA 64 0.295 0.101 0.279 18492
33 1 6 "Average Difference" C 58 0.844 -0.200 0.827 18492
34 1 6 "Average Difference" CA 60 1.387 -0.287 1.368 18492
35 1 6 "Average Difference" CB 56 0.936 -0.193 0.924 18492
36 1 6 "Average Difference" HN 59 0.426 -0.095 0.419 18492
37 1 7 "Average Difference" N 59 2.390 -0.265 2.396 18492
38 1 7 "Average Difference" HA 64 0.257 0.079 0.247 18492
39 1 7 "Average Difference" C 58 0.778 -0.144 0.771 18492
40 1 7 "Average Difference" CA 60 1.337 -0.317 1.310 18492
41 1 7 "Average Difference" CB 56 1.018 -0.266 0.991 18492
42 1 7 "Average Difference" HN 59 0.441 -0.082 0.437 18492
43 1 8 "Average Difference" N 59 2.424 -0.223 2.435 18492
44 1 8 "Average Difference" HA 64 0.268 0.082 0.257 18492
45 1 8 "Average Difference" C 58 0.876 -0.300 0.831 18492
46 1 8 "Average Difference" CA 60 1.289 -0.280 1.269 18492
47 1 8 "Average Difference" CB 56 1.001 -0.144 1.000 18492
48 1 8 "Average Difference" HN 59 0.463 -0.112 0.453 18492
49 1 9 "Average Difference" N 59 2.274 0.054 2.292 18492
50 1 9 "Average Difference" HA 64 0.304 0.092 0.292 18492
51 1 9 "Average Difference" C 58 0.773 -0.170 0.760 18492
52 1 9 "Average Difference" CA 60 1.315 -0.170 1.315 18492
53 1 9 "Average Difference" CB 56 0.905 -0.143 0.901 18492
54 1 9 "Average Difference" HN 59 0.443 -0.088 0.438 18492
55 1 10 "Average Difference" N 59 2.175 -0.149 2.189 18492
56 1 10 "Average Difference" HA 64 0.336 0.071 0.331 18492
57 1 10 "Average Difference" C 58 0.786 -0.237 0.756 18492
58 1 10 "Average Difference" CA 60 1.402 -0.389 1.358 18492
59 1 10 "Average Difference" CB 56 0.954 -0.196 0.942 18492
60 1 10 "Average Difference" HN 59 0.442 -0.118 0.430 18492
61 1 11 "Average Difference" N 59 2.261 -0.364 2.251 18492
62 1 11 "Average Difference" HA 64 0.363 0.125 0.343 18492
63 1 11 "Average Difference" C 58 0.866 -0.228 0.843 18492
64 1 11 "Average Difference" CA 60 1.395 -0.328 1.367 18492
65 1 11 "Average Difference" CB 56 0.908 -0.166 0.901 18492
66 1 11 "Average Difference" HN 59 0.456 -0.091 0.451 18492
67 1 12 "Average Difference" N 59 2.309 -0.467 2.280 18492
68 1 12 "Average Difference" HA 64 0.314 0.075 0.308 18492
69 1 12 "Average Difference" C 58 0.775 -0.196 0.757 18492
70 1 12 "Average Difference" CA 60 1.389 -0.191 1.387 18492
71 1 12 "Average Difference" CB 56 0.957 -0.180 0.948 18492
72 1 12 "Average Difference" HN 59 0.472 -0.078 0.470 18492
73 1 13 "Average Difference" N 59 2.339 -0.234 2.347 18492
74 1 13 "Average Difference" HA 64 0.266 0.059 0.262 18492
75 1 13 "Average Difference" C 58 0.842 -0.135 0.838 18492
76 1 13 "Average Difference" CA 60 1.415 -0.116 1.422 18492
77 1 13 "Average Difference" CB 56 0.890 -0.150 0.886 18492
78 1 13 "Average Difference" HN 59 0.445 -0.100 0.437 18492
79 1 14 "Average Difference" N 59 2.237 -0.041 2.256 18492
80 1 14 "Average Difference" HA 64 0.278 0.097 0.263 18492
81 1 14 "Average Difference" C 58 0.827 -0.161 0.818 18492
82 1 14 "Average Difference" CA 60 1.402 -0.341 1.372 18492
83 1 14 "Average Difference" CB 56 0.967 -0.139 0.965 18492
84 1 14 "Average Difference" HN 59 0.467 -0.059 0.467 18492
85 1 15 "Average Difference" N 59 2.147 -0.227 2.154 18492
86 1 15 "Average Difference" HA 64 0.328 0.119 0.308 18492
87 1 15 "Average Difference" C 58 0.804 -0.184 0.790 18492
88 1 15 "Average Difference" CA 60 1.370 -0.274 1.354 18492
89 1 15 "Average Difference" CB 56 0.845 -0.089 0.848 18492
90 1 15 "Average Difference" HN 59 0.437 -0.134 0.420 18492
91 1 16 "Average Difference" N 59 2.256 -0.217 2.264 18492
92 1 16 "Average Difference" HA 64 0.317 0.121 0.295 18492
93 1 16 "Average Difference" C 58 0.872 -0.201 0.856 18492
94 1 16 "Average Difference" CA 60 1.374 -0.311 1.350 18492
95 1 16 "Average Difference" CB 56 0.859 -0.179 0.848 18492
96 1 16 "Average Difference" HN 59 0.427 -0.062 0.426 18492
97 1 17 "Average Difference" N 59 2.187 -0.328 2.181 18492
98 1 17 "Average Difference" HA 64 0.236 0.078 0.224 18492
99 1 17 "Average Difference" C 58 0.831 -0.266 0.794 18492
100 1 17 "Average Difference" CA 60 1.352 -0.364 1.313 18492
101 1 17 "Average Difference" CB 56 0.872 -0.132 0.870 18492
102 1 17 "Average Difference" HN 59 0.447 -0.105 0.438 18492
103 1 18 "Average Difference" N 59 2.397 -0.226 2.406 18492
104 1 18 "Average Difference" HA 64 0.352 0.127 0.331 18492
105 1 18 "Average Difference" C 58 0.868 -0.215 0.849 18492
106 1 18 "Average Difference" CA 60 1.284 -0.329 1.252 18492
107 1 18 "Average Difference" CB 56 0.850 -0.160 0.842 18492
108 1 18 "Average Difference" HN 59 0.426 -0.076 0.423 18492
109 1 19 "Average Difference" N 59 2.117 -0.183 2.127 18492
110 1 19 "Average Difference" HA 64 0.355 0.126 0.334 18492
111 1 19 "Average Difference" C 58 0.898 -0.176 0.889 18492
112 1 19 "Average Difference" CA 60 1.384 -0.309 1.360 18492
113 1 19 "Average Difference" CB 56 0.876 -0.126 0.874 18492
114 1 19 "Average Difference" HN 59 0.495 -0.106 0.488 18492
115 1 20 "Average Difference" N 59 2.429 -0.253 2.437 18492
116 1 20 "Average Difference" HA 64 0.269 0.092 0.255 18492
117 1 20 "Average Difference" C 58 0.844 -0.243 0.815 18492
118 1 20 "Average Difference" CA 60 1.346 -0.300 1.323 18492
119 1 20 "Average Difference" CB 56 0.856 -0.116 0.856 18492
120 1 20 "Average Difference" HN 59 0.485 -0.154 0.464 18492
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 18492
_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 20 20 THR N N 2 114.872 114.872 119.363 -4.491 18492
2 1 . 1 1 20 20 THR HA H 2 4.639 4.639 4.522 0.117 18492
3 1 . 1 1 20 20 THR C C 2 175.858 175.858 175.524 0.334 18492
4 1 . 1 1 20 20 THR CA C 2 59.992 59.992 61.776 -1.784 18492
5 1 . 1 1 20 20 THR CB C 2 71.359 71.359 70.401 0.958 18492
6 1 . 1 1 20 20 THR H H 2 9.423 9.423 8.385 1.038 18492
7 1 . 1 1 21 21 GLU N N 3 121.694 121.694 123.113 -1.419 18492
8 1 . 1 1 21 21 GLU HA H 3 4.019 4.019 4.001 0.018 18492
9 1 . 1 1 21 21 GLU C C 3 179.808 179.808 178.548 1.260 18492
10 1 . 1 1 21 21 GLU CA C 3 60.242 60.242 59.808 0.434 18492
11 1 . 1 1 21 21 GLU CB C 3 29.333 29.333 29.356 -0.023 18492
12 1 . 1 1 21 21 GLU H H 3 9.120 9.120 8.977 0.143 18492
13 1 . 1 1 22 22 GLU N N 4 120.617 120.617 118.602 2.015 18492
14 1 . 1 1 22 22 GLU HA H 4 4.102 4.102 4.084 0.018 18492
15 1 . 1 1 22 22 GLU C C 4 179.604 179.604 178.839 0.765 18492
16 1 . 1 1 22 22 GLU CA C 4 59.903 59.903 59.379 0.524 18492
17 1 . 1 1 22 22 GLU CB C 4 29.169 29.169 29.017 0.152 18492
18 1 . 1 1 22 22 GLU H H 4 8.735 8.735 8.790 -0.055 18492
19 1 . 1 1 23 23 GLU N N 5 120.811 120.811 118.867 1.944 18492
20 1 . 1 1 23 23 GLU HA H 5 4.074 4.074 4.194 -0.120 18492
21 1 . 1 1 23 23 GLU C C 5 179.511 179.511 178.987 0.524 18492
22 1 . 1 1 23 23 GLU CA C 5 59.467 59.467 58.418 1.049 18492
23 1 . 1 1 23 23 GLU CB C 5 31.413 31.413 29.044 2.369 18492
24 1 . 1 1 23 23 GLU H H 5 7.887 7.887 7.865 0.022 18492
25 1 . 1 1 24 24 MET N N 6 117.260 117.260 120.137 -2.877 18492
26 1 . 1 1 24 24 MET HA H 6 3.665 3.665 4.389 -0.724 18492
27 1 . 1 1 24 24 MET C C 6 178.480 178.480 178.641 -0.161 18492
28 1 . 1 1 24 24 MET CA C 6 60.134 60.134 58.323 1.811 18492
29 1 . 1 1 24 24 MET CB C 6 33.059 33.059 32.356 0.703 18492
30 1 . 1 1 24 24 MET H H 6 8.607 8.607 8.668 -0.061 18492
31 1 . 1 1 25 25 GLY N N 7 106.564 106.564 106.227 0.337 18492
32 1 . 1 1 25 25 GLY C C 7 177.376 177.376 175.839 1.537 18492
33 1 . 1 1 25 25 GLY CA C 7 47.332 47.332 47.230 0.102 18492
34 1 . 1 1 25 25 GLY H H 7 8.494 8.494 8.146 0.348 18492
35 1 . 1 1 26 26 THR N N 8 121.127 121.127 118.697 2.430 18492
36 1 . 1 1 26 26 THR HA H 8 3.956 3.956 4.062 -0.106 18492
37 1 . 1 1 26 26 THR C C 8 175.895 175.895 176.097 -0.202 18492
38 1 . 1 1 26 26 THR CA C 8 66.737 66.737 66.230 0.507 18492
39 1 . 1 1 26 26 THR CB C 8 67.623 67.623 68.551 -0.928 18492
40 1 . 1 1 26 26 THR H H 8 8.242 8.242 7.738 0.504 18492
41 1 . 1 1 27 27 ALA N N 9 125.226 125.226 124.779 0.447 18492
42 1 . 1 1 27 27 ALA HA H 9 3.879 3.879 4.072 -0.193 18492
43 1 . 1 1 27 27 ALA C C 9 179.361 179.361 178.929 0.432 18492
44 1 . 1 1 27 27 ALA CA C 9 55.744 55.744 55.173 0.571 18492
45 1 . 1 1 27 27 ALA CB C 9 17.689 17.689 17.980 -0.291 18492
46 1 . 1 1 27 27 ALA H H 9 8.605 8.605 8.120 0.485 18492
47 1 . 1 1 28 28 LYS N N 10 116.449 116.449 119.102 -2.653 18492
48 1 . 1 1 28 28 LYS HA H 10 3.894 3.894 4.068 -0.174 18492
49 1 . 1 1 28 28 LYS C C 10 179.264 179.264 178.719 0.545 18492
50 1 . 1 1 28 28 LYS CA C 10 61.254 61.254 59.333 1.921 18492
51 1 . 1 1 28 28 LYS CB C 10 32.192 32.192 32.389 -0.197 18492
52 1 . 1 1 28 28 LYS H H 10 8.149 8.149 8.056 0.093 18492
53 1 . 1 1 29 29 LYS N N 11 121.248 121.248 118.824 2.424 18492
54 1 . 1 1 29 29 LYS HA H 11 4.027 4.027 4.098 -0.071 18492
55 1 . 1 1 29 29 LYS C C 11 179.168 179.168 178.920 0.248 18492
56 1 . 1 1 29 29 LYS CA C 11 59.611 59.611 58.663 0.948 18492
57 1 . 1 1 29 29 LYS CB C 11 32.109 32.109 31.970 0.139 18492
58 1 . 1 1 29 29 LYS H H 11 7.747 7.747 7.884 -0.137 18492
59 1 . 1 1 30 30 GLY N N 12 108.727 108.727 107.357 1.370 18492
60 1 . 1 1 30 30 GLY C C 12 174.800 174.800 176.315 -1.515 18492
61 1 . 1 1 30 30 GLY CA C 12 49.019 49.019 47.155 1.864 18492
62 1 . 1 1 30 30 GLY H H 12 8.838 8.838 7.910 0.928 18492
63 1 . 1 1 31 31 LEU N N 13 124.189 124.189 122.347 1.842 18492
64 1 . 1 1 31 31 LEU HA H 13 4.089 4.089 4.275 -0.186 18492
65 1 . 1 1 31 31 LEU C C 13 179.023 179.023 179.106 -0.083 18492
66 1 . 1 1 31 31 LEU CA C 13 57.479 57.479 56.856 0.623 18492
67 1 . 1 1 31 31 LEU CB C 13 42.555 42.555 41.872 0.683 18492
68 1 . 1 1 31 31 LEU H H 13 8.520 8.520 8.096 0.424 18492
69 1 . 1 1 32 32 LEU N N 14 119.512 119.512 119.371 0.141 18492
70 1 . 1 1 32 32 LEU HA H 14 3.958 3.958 3.945 0.013 18492
71 1 . 1 1 32 32 LEU C C 14 178.844 178.844 177.802 1.042 18492
72 1 . 1 1 32 32 LEU CA C 14 57.935 57.935 57.357 0.578 18492
73 1 . 1 1 32 32 LEU CB C 14 41.665 41.665 42.048 -0.383 18492
74 1 . 1 1 32 32 LEU H H 14 7.322 7.322 7.848 -0.526 18492
75 1 . 1 1 33 33 GLU N N 15 117.254 117.254 117.265 -0.011 18492
76 1 . 1 1 33 33 GLU HA H 15 4.002 4.002 3.891 0.111 18492
77 1 . 1 1 33 33 GLU C C 15 178.636 178.636 178.463 0.173 18492
78 1 . 1 1 33 33 GLU CA C 15 58.677 58.677 58.294 0.383 18492
79 1 . 1 1 33 33 GLU CB C 15 30.423 30.423 29.754 0.669 18492
80 1 . 1 1 33 33 GLU H H 15 7.940 7.940 7.725 0.215 18492
81 1 . 1 1 34 34 HIS N N 16 113.397 113.397 115.343 -1.946 18492
82 1 . 1 1 34 34 HIS HA H 16 4.766 4.766 4.470 0.296 18492
83 1 . 1 1 34 34 HIS C C 16 176.465 176.465 176.207 0.259 18492
84 1 . 1 1 34 34 HIS CA C 16 55.527 55.527 57.391 -1.864 18492
85 1 . 1 1 34 34 HIS CB C 16 32.394 32.394 30.981 1.413 18492
86 1 . 1 1 34 34 HIS H H 16 8.732 8.732 8.018 0.714 18492
87 1 . 1 1 35 35 GLY N N 17 112.392 112.392 107.535 4.857 18492
88 1 . 1 1 35 35 GLY C C 17 172.914 172.914 173.962 -1.048 18492
89 1 . 1 1 35 35 GLY CA C 17 45.731 45.731 44.669 1.062 18492
90 1 . 1 1 35 35 GLY H H 17 7.475 7.475 7.641 -0.166 18492
91 1 . 1 1 36 36 ARG N N 18 121.605 121.605 120.236 1.369 18492
92 1 . 1 1 36 36 ARG HA H 18 2.685 2.685 3.558 -0.873 18492
93 1 . 1 1 36 36 ARG C C 18 174.673 174.673 174.780 -0.107 18492
94 1 . 1 1 36 36 ARG CA C 18 54.676 54.676 55.576 -0.900 18492
95 1 . 1 1 36 36 ARG CB C 18 27.770 27.770 28.956 -1.186 18492
96 1 . 1 1 36 36 ARG H H 18 7.805 7.805 8.230 -0.425 18492
97 1 . 1 1 37 37 ASN N N 19 118.725 118.725 119.668 -0.943 18492
98 1 . 1 1 37 37 ASN HA H 19 4.460 4.460 4.436 0.024 18492
99 1 . 1 1 37 37 ASN C C 19 175.272 175.272 175.676 -0.404 18492
100 1 . 1 1 37 37 ASN CA C 19 50.354 50.354 52.564 -2.210 18492
101 1 . 1 1 37 37 ASN CB C 19 37.174 37.174 37.326 -0.152 18492
102 1 . 1 1 37 37 ASN H H 19 6.939 6.939 7.697 -0.758 18492
103 1 . 1 1 38 38 TRP N N 20 123.054 123.054 125.513 -2.459 18492
104 1 . 1 1 38 38 TRP HA H 20 4.412 4.412 4.387 0.025 18492
105 1 . 1 1 38 38 TRP C C 20 177.950 177.950 178.228 -0.278 18492
106 1 . 1 1 38 38 TRP CA C 20 58.802 58.802 59.841 -1.039 18492
107 1 . 1 1 38 38 TRP CB C 20 30.600 30.600 29.019 1.581 18492
108 1 . 1 1 38 38 TRP H H 20 7.064 7.064 7.890 -0.827 18492
109 1 . 1 1 39 39 SER N N 21 112.959 112.959 114.696 -1.737 18492
110 1 . 1 1 39 39 SER HA H 21 4.171 4.171 4.187 -0.016 18492
111 1 . 1 1 39 39 SER C C 21 176.653 176.653 176.340 0.313 18492
112 1 . 1 1 39 39 SER CA C 21 61.632 61.632 61.463 0.169 18492
113 1 . 1 1 39 39 SER CB C 21 62.389 62.389 62.540 -0.151 18492
114 1 . 1 1 39 39 SER H H 21 8.526 8.526 8.289 0.237 18492
115 1 . 1 1 40 40 ALA N N 22 124.572 124.572 124.149 0.423 18492
116 1 . 1 1 40 40 ALA HA H 22 3.809 3.809 4.066 -0.257 18492
117 1 . 1 1 40 40 ALA C C 22 180.307 180.307 179.814 0.493 18492
118 1 . 1 1 40 40 ALA CA C 22 54.336 54.336 54.784 -0.448 18492
119 1 . 1 1 40 40 ALA CB C 22 16.820 16.820 18.182 -1.362 18492
120 1 . 1 1 40 40 ALA H H 22 7.130 7.130 7.708 -0.578 18492
121 1 . 1 1 41 41 ILE N N 23 118.436 118.436 118.034 0.402 18492
122 1 . 1 1 41 41 ILE HA H 23 3.585 3.585 3.793 -0.208 18492
123 1 . 1 1 41 41 ILE C C 23 177.684 177.684 177.730 -0.046 18492
124 1 . 1 1 41 41 ILE CA C 23 65.871 65.871 61.956 3.915 18492
125 1 . 1 1 41 41 ILE CB C 23 38.452 38.452 36.579 1.873 18492
126 1 . 1 1 41 41 ILE H H 23 7.750 7.750 7.842 -0.092 18492
127 1 . 1 1 42 42 ALA N N 24 122.987 122.987 122.381 0.606 18492
128 1 . 1 1 42 42 ALA HA H 24 3.920 3.920 4.102 -0.182 18492
129 1 . 1 1 42 42 ALA C C 24 180.335 180.335 179.268 1.067 18492
130 1 . 1 1 42 42 ALA CA C 24 56.102 56.102 55.283 0.819 18492
131 1 . 1 1 42 42 ALA CB C 24 18.334 18.334 18.435 -0.101 18492
132 1 . 1 1 42 42 ALA H H 24 8.730 8.730 8.271 0.459 18492
133 1 . 1 1 43 43 ARG N N 25 117.188 117.188 118.173 -0.985 18492
134 1 . 1 1 43 43 ARG HA H 25 4.022 4.022 4.188 -0.167 18492
135 1 . 1 1 43 43 ARG C C 25 178.559 178.559 178.496 0.063 18492
136 1 . 1 1 43 43 ARG CA C 25 59.066 59.066 58.755 0.311 18492
137 1 . 1 1 43 43 ARG CB C 25 29.954 29.954 30.278 -0.324 18492
138 1 . 1 1 43 43 ARG H H 25 7.511 7.511 7.734 -0.223 18492
139 1 . 1 1 44 44 MET N N 26 117.388 117.388 119.525 -2.137 18492
140 1 . 1 1 44 44 MET HA H 26 4.029 4.029 4.232 -0.203 18492
141 1 . 1 1 44 44 MET C C 26 177.655 177.655 177.676 -0.021 18492
142 1 . 1 1 44 44 MET CA C 26 58.926 58.926 58.785 0.141 18492
143 1 . 1 1 44 44 MET CB C 26 34.267 34.267 33.013 1.254 18492
144 1 . 1 1 44 44 MET H H 26 7.399 7.399 7.657 -0.258 18492
145 1 . 1 1 45 45 VAL N N 27 119.232 119.232 114.347 4.885 18492
146 1 . 1 1 45 45 VAL HA H 27 3.581 3.581 4.225 -0.644 18492
147 1 . 1 1 45 45 VAL C C 27 178.991 178.991 177.536 1.455 18492
148 1 . 1 1 45 45 VAL CA C 27 65.759 65.759 64.231 1.528 18492
149 1 . 1 1 45 45 VAL CB C 27 32.405 32.405 32.117 0.288 18492
150 1 . 1 1 45 45 VAL H H 27 8.526 8.526 8.213 0.313 18492
151 1 . 1 1 46 46 GLY N N 28 108.996 108.996 107.739 1.257 18492
152 1 . 1 1 46 46 GLY C C 28 175.739 175.739 175.051 0.688 18492
153 1 . 1 1 46 46 GLY CA C 28 47.250 47.250 45.288 1.962 18492
154 1 . 1 1 46 46 GLY H H 28 8.663 8.663 7.860 0.803 18492
155 1 . 1 1 47 47 SER N N 29 112.827 112.827 113.376 -0.549 18492
156 1 . 1 1 47 47 SER HA H 29 4.291 4.291 4.217 0.074 18492
157 1 . 1 1 47 47 SER C C 29 173.701 173.701 173.956 -0.255 18492
158 1 . 1 1 47 47 SER CA C 29 57.352 57.352 59.505 -2.153 18492
159 1 . 1 1 47 47 SER CB C 29 62.198 62.198 62.020 0.178 18492
160 1 . 1 1 47 47 SER H H 29 7.948 7.948 7.906 0.042 18492
161 1 . 1 1 48 48 LYS N N 30 119.562 119.562 119.346 0.216 18492
162 1 . 1 1 48 48 LYS H H 30 6.655 6.655 7.826 -1.171 18492
163 1 . 1 1 49 49 THR N N 31 111.264 111.264 115.960 -4.696 18492
164 1 . 1 1 49 49 THR HA H 31 4.377 4.377 4.449 -0.072 18492
165 1 . 1 1 49 49 THR C C 31 176.481 176.481 175.891 0.591 18492
166 1 . 1 1 49 49 THR CA C 31 60.302 60.302 61.990 -1.688 18492
167 1 . 1 1 49 49 THR CB C 31 72.012 72.012 70.245 1.767 18492
168 1 . 1 1 49 49 THR H H 31 8.900 8.900 8.186 0.714 18492
169 1 . 1 1 50 50 VAL N N 32 121.079 121.079 125.645 -4.567 18492
170 1 . 1 1 50 50 VAL HA H 32 3.520 3.520 3.784 -0.264 18492
171 1 . 1 1 50 50 VAL C C 32 177.818 177.818 177.633 0.185 18492
172 1 . 1 1 50 50 VAL CA C 32 68.065 68.065 65.649 2.416 18492
173 1 . 1 1 50 50 VAL CB C 32 31.830 31.830 31.817 0.014 18492
174 1 . 1 1 50 50 VAL H H 32 8.697 8.697 8.723 -0.026 18492
175 1 . 1 1 51 51 SER N N 33 113.769 113.769 114.518 -0.749 18492
176 1 . 1 1 51 51 SER HA H 33 3.995 3.995 4.096 -0.101 18492
177 1 . 1 1 51 51 SER C C 33 177.346 177.346 176.592 0.754 18492
178 1 . 1 1 51 51 SER CA C 33 61.640 61.640 61.390 0.250 18492
179 1 . 1 1 51 51 SER CB C 33 62.431 62.431 62.582 -0.151 18492
180 1 . 1 1 51 51 SER H H 33 8.334 8.334 8.280 0.054 18492
181 1 . 1 1 52 52 GLN N N 34 120.084 120.084 120.682 -0.598 18492
182 1 . 1 1 52 52 GLN HA H 34 4.303 4.303 4.220 0.083 18492
183 1 . 1 1 52 52 GLN C C 34 180.343 180.343 178.227 2.116 18492
184 1 . 1 1 52 52 GLN CA C 34 59.282 59.282 58.999 0.283 18492
185 1 . 1 1 52 52 GLN CB C 34 29.562 29.562 28.513 1.049 18492
186 1 . 1 1 52 52 GLN H H 34 7.781 7.781 7.961 -0.180 18492
187 1 . 1 1 53 53 CYS N N 35 120.950 120.950 117.617 3.333 18492
188 1 . 1 1 53 53 CYS HA H 35 4.459 4.459 4.439 0.020 18492
189 1 . 1 1 53 53 CYS C C 35 175.170 175.170 176.723 -1.553 18492
190 1 . 1 1 53 53 CYS CA C 35 65.582 65.582 60.626 4.956 18492
191 1 . 1 1 53 53 CYS CB C 35 27.114 27.114 27.095 0.019 18492
192 1 . 1 1 53 53 CYS H H 35 8.748 8.748 7.933 0.815 18492
193 1 . 1 1 54 54 LYS N N 36 120.488 120.488 120.728 -0.240 18492
194 1 . 1 1 54 54 LYS HA H 36 2.225 2.225 3.381 -1.156 18492
195 1 . 1 1 54 54 LYS C C 36 177.848 177.848 178.814 -0.966 18492
196 1 . 1 1 54 54 LYS CA C 36 59.461 59.461 59.282 0.179 18492
197 1 . 1 1 54 54 LYS CB C 36 31.934 31.934 31.988 -0.054 18492
198 1 . 1 1 54 54 LYS H H 36 7.790 7.790 7.720 0.070 18492
199 1 . 1 1 55 55 ASN N N 37 116.085 116.085 117.597 -1.512 18492
200 1 . 1 1 55 55 ASN HA H 37 4.424 4.424 4.389 0.035 18492
201 1 . 1 1 55 55 ASN C C 37 177.149 177.149 177.431 -0.282 18492
202 1 . 1 1 55 55 ASN CA C 37 56.086 56.086 55.672 0.414 18492
203 1 . 1 1 55 55 ASN CB C 37 38.469 38.469 38.423 0.046 18492
204 1 . 1 1 55 55 ASN H H 37 7.988 7.988 8.089 -0.101 18492
205 1 . 1 1 56 56 PHE N N 38 121.512 121.512 121.487 0.025 18492
206 1 . 1 1 56 56 PHE HA H 38 3.580 3.580 3.985 -0.405 18492
207 1 . 1 1 56 56 PHE C C 38 175.968 175.968 176.771 -0.803 18492
208 1 . 1 1 56 56 PHE CA C 38 60.657 60.657 60.700 -0.043 18492
209 1 . 1 1 56 56 PHE CB C 38 38.861 38.861 38.600 0.261 18492
210 1 . 1 1 56 56 PHE H H 38 8.117 8.117 7.893 0.224 18492
211 1 . 1 1 57 57 TYR N N 39 114.465 114.465 118.694 -4.229 18492
212 1 . 1 1 57 57 TYR HA H 39 3.667 3.667 3.837 -0.170 18492
213 1 . 1 1 57 57 TYR CA C 39 61.848 61.848 60.981 0.867 18492
214 1 . 1 1 57 57 TYR CB C 39 38.720 38.720 38.383 0.338 18492
215 1 . 1 1 57 57 TYR H H 39 7.723 7.723 7.604 0.119 18492
216 1 . 1 1 66 66 LEU HA H 48 4.087 4.087 4.179 -0.092 18492
217 1 . 1 1 66 66 LEU C C 48 179.076 179.076 177.705 1.371 18492
218 1 . 1 1 66 66 LEU CA C 48 57.264 57.264 57.416 -0.152 18492
219 1 . 1 1 66 66 LEU CB C 48 41.152 41.152 41.542 -0.389 18492
220 1 . 1 1 67 67 ASP N N 49 118.908 118.908 119.003 -0.095 18492
221 1 . 1 1 67 67 ASP HA H 49 4.697 4.697 4.343 0.354 18492
222 1 . 1 1 67 67 ASP C C 49 179.483 179.483 178.110 1.373 18492
223 1 . 1 1 67 67 ASP CA C 49 57.486 57.486 57.708 -0.222 18492
224 1 . 1 1 67 67 ASP CB C 49 39.078 39.078 40.830 -1.752 18492
225 1 . 1 1 67 67 ASP H H 49 8.630 8.630 8.457 0.173 18492
226 1 . 1 1 68 68 GLU N N 50 122.261 122.261 119.547 2.714 18492
227 1 . 1 1 68 68 GLU HA H 50 4.122 4.122 4.131 -0.009 18492
228 1 . 1 1 68 68 GLU C C 50 179.120 179.120 178.831 0.289 18492
229 1 . 1 1 68 68 GLU CA C 50 59.381 59.381 58.889 0.492 18492
230 1 . 1 1 68 68 GLU CB C 50 29.183 29.183 29.457 -0.274 18492
231 1 . 1 1 68 68 GLU H H 50 7.906 7.906 7.827 0.079 18492
232 1 . 1 1 69 69 ILE N N 51 120.582 120.582 120.866 -0.284 18492
233 1 . 1 1 69 69 ILE HA H 51 3.794 3.794 3.767 0.027 18492
234 1 . 1 1 69 69 ILE CA C 51 64.729 64.729 65.057 -0.329 18492
235 1 . 1 1 69 69 ILE CB C 51 37.463 37.463 37.772 -0.309 18492
236 1 . 1 1 69 69 ILE H H 51 7.296 7.296 7.552 -0.256 18492
237 1 . 1 1 70 70 LEU HA H 52 4.088 4.088 4.205 -0.117 18492
238 1 . 1 1 70 70 LEU C C 52 180.091 180.091 179.366 0.725 18492
239 1 . 1 1 70 70 LEU CA C 52 57.851 57.851 57.192 0.659 18492
240 1 . 1 1 70 70 LEU CB C 52 41.165 41.165 40.707 0.458 18492
241 1 . 1 1 71 71 GLN N N 53 121.069 121.069 119.293 1.776 18492
242 1 . 1 1 71 71 GLN HA H 53 4.180 4.180 4.008 0.172 18492
243 1 . 1 1 71 71 GLN C C 53 178.551 178.551 178.329 0.221 18492
244 1 . 1 1 71 71 GLN CA C 53 58.801 58.801 58.774 0.027 18492
245 1 . 1 1 71 71 GLN CB C 53 27.751 27.751 28.230 -0.479 18492
246 1 . 1 1 71 71 GLN H H 53 8.075 8.075 7.883 0.192 18492
247 1 . 1 1 72 72 GLN N N 54 119.983 119.983 118.265 1.718 18492
248 1 . 1 1 72 72 GLN HA H 54 4.020 4.020 4.021 -0.001 18492
249 1 . 1 1 72 72 GLN C C 54 179.376 179.376 178.453 0.923 18492
250 1 . 1 1 72 72 GLN CA C 54 58.832 58.832 58.564 0.268 18492
251 1 . 1 1 72 72 GLN CB C 54 28.078 28.078 28.220 -0.142 18492
252 1 . 1 1 72 72 GLN H H 54 7.900 7.900 8.220 -0.320 18492
253 1 . 1 1 73 73 HIS N N 55 120.410 120.410 119.837 0.573 18492
254 1 . 1 1 73 73 HIS HA H 55 4.314 4.314 4.167 0.147 18492
255 1 . 1 1 73 73 HIS C C 55 176.222 176.222 177.196 -0.974 18492
256 1 . 1 1 73 73 HIS CA C 55 60.002 60.002 59.568 0.434 18492
257 1 . 1 1 73 73 HIS CB C 55 28.163 28.163 29.919 -1.756 18492
258 1 . 1 1 73 73 HIS H H 55 8.637 8.637 7.993 0.644 18492
259 1 . 1 1 74 74 LYS N N 56 120.014 120.014 119.472 0.542 18492
260 1 . 1 1 74 74 LYS HA H 56 3.765 3.765 3.905 -0.140 18492
261 1 . 1 1 74 74 LYS C C 56 179.024 179.024 178.793 0.231 18492
262 1 . 1 1 74 74 LYS CA C 56 59.646 59.646 59.523 0.123 18492
263 1 . 1 1 74 74 LYS CB C 56 32.195 32.195 32.545 -0.350 18492
264 1 . 1 1 74 74 LYS H H 56 7.944 7.944 7.751 0.193 18492
265 1 . 1 1 75 75 LEU N N 57 119.352 119.352 116.659 2.693 18492
266 1 . 1 1 75 75 LEU HA H 57 4.054 4.054 4.201 -0.147 18492
267 1 . 1 1 75 75 LEU C C 57 179.386 179.386 178.982 0.404 18492
268 1 . 1 1 75 75 LEU CA C 57 57.646 57.646 57.890 -0.244 18492
269 1 . 1 1 75 75 LEU CB C 57 41.779 41.779 41.267 0.512 18492
270 1 . 1 1 75 75 LEU H H 57 7.870 7.870 7.926 -0.056 18492
271 1 . 1 1 76 76 LYS N N 58 121.054 121.054 119.847 1.207 18492
272 1 . 1 1 76 76 LYS HA H 58 3.968 3.968 3.944 0.024 18492
273 1 . 1 1 76 76 LYS C C 58 178.872 178.872 178.893 -0.021 18492
274 1 . 1 1 76 76 LYS CA C 58 59.306 59.306 59.304 0.002 18492
275 1 . 1 1 76 76 LYS CB C 58 32.253 32.253 32.149 0.104 18492
276 1 . 1 1 76 76 LYS H H 58 7.943 7.943 7.988 -0.045 18492
277 1 . 1 1 77 77 MET N N 59 117.676 117.676 118.911 -1.235 18492
278 1 . 1 1 77 77 MET HA H 59 4.164 4.164 4.179 -0.015 18492
279 1 . 1 1 77 77 MET C C 59 179.131 179.131 178.108 1.023 18492
280 1 . 1 1 77 77 MET CA C 59 57.271 57.271 58.048 -0.777 18492
281 1 . 1 1 77 77 MET CB C 59 31.676 31.676 32.288 -0.612 18492
282 1 . 1 1 77 77 MET H H 59 7.910 7.910 7.661 0.249 18492
283 1 . 1 1 78 78 GLU N N 60 120.695 120.695 119.298 1.397 18492
284 1 . 1 1 78 78 GLU HA H 60 4.000 4.000 3.979 0.021 18492
285 1 . 1 1 78 78 GLU C C 60 178.407 178.407 178.687 -0.280 18492
286 1 . 1 1 78 78 GLU CA C 60 59.278 59.278 59.533 -0.255 18492
287 1 . 1 1 78 78 GLU CB C 60 29.469 29.469 29.476 -0.007 18492
288 1 . 1 1 78 78 GLU H H 60 8.005 8.005 8.025 -0.020 18492
289 1 . 1 1 79 79 LYS N N 61 119.944 119.944 118.612 1.332 18492
290 1 . 1 1 79 79 LYS HA H 61 4.074 4.074 4.019 0.055 18492
291 1 . 1 1 79 79 LYS C C 61 179.350 179.350 179.018 0.332 18492
292 1 . 1 1 79 79 LYS CA C 61 59.052 59.052 59.336 -0.285 18492
293 1 . 1 1 79 79 LYS CB C 61 32.241 32.241 32.284 -0.043 18492
294 1 . 1 1 79 79 LYS H H 61 7.993 7.993 7.862 0.131 18492
295 1 . 1 1 80 80 GLU N N 62 119.421 119.421 118.689 0.731 18492
296 1 . 1 1 80 80 GLU HA H 62 4.052 4.052 4.087 -0.035 18492
297 1 . 1 1 80 80 GLU C C 62 178.434 178.434 178.696 -0.262 18492
298 1 . 1 1 80 80 GLU CA C 62 58.578 58.578 58.776 -0.198 18492
299 1 . 1 1 80 80 GLU CB C 62 29.511 29.511 29.102 0.409 18492
300 1 . 1 1 80 80 GLU H H 62 8.011 8.011 7.968 0.043 18492
301 1 . 1 1 81 81 ARG N N 63 120.087 120.087 120.334 -0.247 18492
302 1 . 1 1 81 81 ARG HA H 63 4.063 4.063 4.019 0.044 18492
303 1 . 1 1 81 81 ARG C C 63 178.289 178.289 178.431 -0.142 18492
304 1 . 1 1 81 81 ARG CA C 63 58.729 58.729 59.227 -0.498 18492
305 1 . 1 1 81 81 ARG CB C 63 29.984 29.984 30.170 -0.186 18492
306 1 . 1 1 81 81 ARG H H 63 8.038 8.038 7.800 0.238 18492
307 1 . 1 1 82 82 ASN N N 64 117.835 117.835 117.617 0.218 18492
308 1 . 1 1 82 82 ASN HA H 64 4.526 4.526 4.500 0.026 18492
309 1 . 1 1 82 82 ASN C C 64 176.397 176.397 177.240 -0.843 18492
310 1 . 1 1 82 82 ASN CA C 64 54.675 54.675 55.940 -1.265 18492
311 1 . 1 1 82 82 ASN CB C 64 38.495 38.495 38.353 0.142 18492
312 1 . 1 1 82 82 ASN H H 64 8.176 8.176 8.002 0.174 18492
313 1 . 1 1 83 83 ALA N N 65 122.797 122.797 122.232 0.565 18492
314 1 . 1 1 83 83 ALA HA H 65 4.204 4.204 4.153 0.051 18492
315 1 . 1 1 83 83 ALA C C 65 178.776 178.776 179.061 -0.285 18492
316 1 . 1 1 83 83 ALA CA C 65 53.758 53.758 54.627 -0.869 18492
317 1 . 1 1 83 83 ALA CB C 65 18.769 18.769 18.738 0.031 18492
318 1 . 1 1 83 83 ALA H H 65 7.883 7.883 7.748 0.135 18492
319 1 . 1 1 84 84 ARG N N 66 118.042 118.042 116.078 1.964 18492
320 1 . 1 1 84 84 ARG HA H 66 4.213 4.213 4.191 0.022 18492
321 1 . 1 1 84 84 ARG C C 66 177.040 177.040 177.795 -0.755 18492
322 1 . 1 1 84 84 ARG CA C 66 57.070 57.070 57.889 -0.819 18492
323 1 . 1 1 84 84 ARG CB C 66 30.385 30.385 30.283 0.102 18492
324 1 . 1 1 84 84 ARG H H 66 7.855 7.855 7.853 0.002 18492
325 1 . 1 1 85 85 ARG N N 67 120.431 120.431 118.501 1.930 18492
326 1 . 1 1 85 85 ARG HA H 67 4.214 4.214 4.410 -0.196 18492
327 1 . 1 1 85 85 ARG C C 67 176.547 176.547 176.402 0.145 18492
328 1 . 1 1 85 85 ARG CA C 67 56.886 56.886 55.716 1.170 18492
329 1 . 1 1 85 85 ARG CB C 67 30.325 30.325 30.239 0.086 18492
330 1 . 1 1 85 85 ARG H H 67 7.873 7.873 7.642 0.231 18492
331 1 . 1 1 86 86 LYS N N 68 121.690 121.690 119.939 1.751 18492
332 1 . 1 1 86 86 LYS HA H 68 4.265 4.265 4.288 -0.023 18492
333 1 . 1 1 86 86 LYS C C 68 176.561 176.561 175.882 0.679 18492
334 1 . 1 1 86 86 LYS CA C 68 56.926 56.926 56.081 0.845 18492
335 1 . 1 1 86 86 LYS CB C 68 32.886 32.886 31.571 1.315 18492
336 1 . 1 1 86 86 LYS H H 68 8.040 8.040 7.667 0.373 18492
337 1 . 1 1 87 87 LYS N N 69 122.486 122.486 122.384 0.102 18492
338 1 . 1 1 87 87 LYS HA H 69 4.269 4.269 4.278 -0.009 18492
339 1 . 1 1 87 87 LYS C C 69 176.383 176.383 175.912 0.471 18492
340 1 . 1 1 87 87 LYS CA C 69 56.500 56.500 56.271 0.229 18492
341 1 . 1 1 87 87 LYS CB C 69 33.100 33.100 31.906 1.194 18492
342 1 . 1 1 87 87 LYS H H 69 8.116 8.116 7.979 0.137 18492
343 1 . 1 1 88 88 LYS N N 70 123.589 123.589 122.373 1.216 18492
344 1 . 1 1 88 88 LYS HA H 70 4.247 4.247 4.409 -0.162 18492
345 1 . 1 1 88 88 LYS C C 70 175.618 175.618 175.588 0.030 18492
346 1 . 1 1 88 88 LYS CA C 70 56.693 56.693 56.124 0.569 18492
347 1 . 1 1 88 88 LYS CB C 70 33.089 33.089 33.031 0.058 18492
348 1 . 1 1 88 88 LYS H H 70 8.247 8.247 8.156 0.091 18492
stop_
save_